Ligand source activities (1 row/activity)
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 56953889 | 81641 | 0 | None | 120 | 2 | Guinea pig | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 564 | 15 | 6 | 8 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165630 | 81641 | 0 | None | 120 | 2 | Guinea pig | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 564 | 15 | 6 | 8 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 56954000 | 81643 | 0 | None | 10 | 2 | Guinea pig | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 592 | 17 | 6 | 8 | 2.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165632 | 81643 | 0 | None | 10 | 2 | Guinea pig | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 592 | 17 | 6 | 8 | 2.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 56954515 | 81639 | 0 | None | 5 | 4 | Guinea pig | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 546 | 17 | 6 | 6 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| CHEMBL2165628 | 81639 | 0 | None | 5 | 4 | Guinea pig | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 546 | 17 | 6 | 6 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| 56954515 | 81639 | 0 | None | 5 | 4 | Guinea pig | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 546 | 17 | 6 | 6 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| CHEMBL2165628 | 81639 | 0 | None | 5 | 4 | Guinea pig | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 546 | 17 | 6 | 6 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| 56954322 | 81654 | 0 | None | 2 | 4 | Guinea pig | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 500 | 17 | 6 | 4 | 1.7 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| CHEMBL2165642 | 81654 | 0 | None | 2 | 4 | Guinea pig | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 500 | 17 | 6 | 4 | 1.7 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| 56953889 | 81641 | 0 | None | 120 | 2 | Guinea pig | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 564 | 15 | 6 | 8 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165630 | 81641 | 0 | None | 120 | 2 | Guinea pig | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 564 | 15 | 6 | 8 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 56953889 | 81641 | 0 | None | 120 | 2 | Guinea pig | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 564 | 15 | 6 | 8 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165630 | 81641 | 0 | None | 120 | 2 | Guinea pig | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 564 | 15 | 6 | 8 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 56953998 | 81642 | 0 | None | 29 | 2 | Guinea pig | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 578 | 16 | 6 | 8 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165631 | 81642 | 0 | None | 29 | 2 | Guinea pig | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 578 | 16 | 6 | 8 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 168281746 | 192270 | 0 | None | 9 | 3 | Guinea pig | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5184911 | 192270 | 0 | None | 9 | 3 | Guinea pig | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221974 | 192270 | 0 | None | 9 | 3 | Guinea pig | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| 56954000 | 81643 | 0 | None | 10 | 2 | Guinea pig | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 592 | 17 | 6 | 8 | 2.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165632 | 81643 | 0 | None | 10 | 2 | Guinea pig | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 592 | 17 | 6 | 8 | 2.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 56954322 | 81654 | 0 | None | 2 | 4 | Guinea pig | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 500 | 17 | 6 | 4 | 1.7 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| CHEMBL2165642 | 81654 | 0 | None | 2 | 4 | Guinea pig | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 500 | 17 | 6 | 4 | 1.7 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| 56954000 | 81643 | 0 | None | 10 | 2 | Guinea pig | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 592 | 17 | 6 | 8 | 2.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165632 | 81643 | 0 | None | 10 | 2 | Guinea pig | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 592 | 17 | 6 | 8 | 2.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 168295528 | 192419 | 0 | None | 12 | 10 | Guinea pig | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5206565 | 192419 | 0 | None | 12 | 10 | Guinea pig | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222872 | 192419 | 0 | None | 12 | 10 | Guinea pig | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 56954129 | 81647 | 0 | None | 22 | 2 | Guinea pig | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 536 | 15 | 6 | 8 | 1.5 | N/C(=N\C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| CHEMBL2165636 | 81647 | 0 | None | 22 | 2 | Guinea pig | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 536 | 15 | 6 | 8 | 1.5 | N/C(=N\C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| 164611474 | 184860 | 0 | None | - | 1 | Guinea pig | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 366 | 6 | 4 | 5 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccs1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4861704 | 184860 | 0 | None | - | 1 | Guinea pig | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 366 | 6 | 4 | 5 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccs1 | 10.1016/j.ejmech.2021.113190 | ||
| 56954517 | 81640 | 0 | None | 14 | 2 | Guinea pig | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 502 | 17 | 6 | 6 | 0.5 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1ncn[nH]1)NCCCc1ncn[nH]1 | 10.1021/jm201128q | ||
| CHEMBL2165629 | 81640 | 0 | None | 14 | 2 | Guinea pig | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 502 | 17 | 6 | 6 | 0.5 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1ncn[nH]1)NCCCc1ncn[nH]1 | 10.1021/jm201128q | ||
| 164620678 | 185427 | 0 | None | - | 1 | Guinea pig | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 374 | 7 | 4 | 4 | 2.7 | CCC(NC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4870510 | 185427 | 0 | None | - | 1 | Guinea pig | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 374 | 7 | 4 | 4 | 2.7 | CCC(NC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 168294449 | 192406 | 0 | None | 50 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5204599 | 192406 | 0 | None | 50 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222793 | 192406 | 0 | None | 50 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| 56954318 | 81652 | 0 | None | 7 | 3 | Guinea pig | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 444 | 13 | 6 | 4 | 0.1 | N/C(=N\C(=O)CCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| CHEMBL2165640 | 81652 | 0 | None | 7 | 3 | Guinea pig | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 444 | 13 | 6 | 4 | 0.1 | N/C(=N\C(=O)CCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| 25149814 | 184732 | 0 | None | - | 1 | Guinea pig | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 291 | 6 | 4 | 3 | 2.0 | N=C(NCCCc1c[nH]cn1)NC(=O)CC1CCCCC1 | 10.1021/jm800841w | ||
| CHEMBL485958 | 184732 | 0 | None | - | 1 | Guinea pig | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 291 | 6 | 4 | 3 | 2.0 | N=C(NCCCc1c[nH]cn1)NC(=O)CC1CCCCC1 | 10.1021/jm800841w | ||
| CHEMBL5093461 | 213767 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095884 | 213767 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| 164611342 | 184495 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 346 | 6 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4856005 | 184495 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 346 | 6 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 155559319 | 174281 | 0 | None | 13 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 239 | 1 | 1 | 3 | 3.2 | CC1CCCc2c(-c3ccccc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4563363 | 174281 | 0 | None | 13 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 239 | 1 | 1 | 3 | 3.2 | CC1CCCc2c(-c3ccccc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| 1204 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
| 1247 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
| 1375 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
| 774 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
| CHEMBL90 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
| DB05381 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
| 1204 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
| 1247 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
| 1375 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
| 774 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
| CHEMBL90 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
| DB05381 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
| 1204 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
| 1247 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
| 1375 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
| 774 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
| CHEMBL90 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
| DB05381 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
| 1204 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| 1247 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| 1375 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| 774 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL90 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| DB05381 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| 46887042 | 8659 | 0 | None | -15 | 5 | Guinea pig | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 319 | 7 | 4 | 3 | 2.6 | C[C@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1096430 | 8659 | 0 | None | -15 | 5 | Guinea pig | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 319 | 7 | 4 | 3 | 2.6 | C[C@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| 46887077 | 8900 | 0 | None | 1 | 2 | Guinea pig | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@@H](C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1098441 | 8900 | 0 | None | 1 | 2 | Guinea pig | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@@H](C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| 25150702 | 178287 | 0 | None | - | 1 | Guinea pig | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 361 | 7 | 4 | 3 | 2.8 | N=C(NCCCc1c[nH]cn1)NC(=O)C(c1ccccc1)c1ccccc1 | 10.1021/jm800841w | ||
| CHEMBL469748 | 178287 | 0 | None | - | 1 | Guinea pig | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 361 | 7 | 4 | 3 | 2.8 | N=C(NCCCc1c[nH]cn1)NC(=O)C(c1ccccc1)c1ccccc1 | 10.1021/jm800841w | ||
| 168290815 | 192361 | 0 | None | -23 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5200771 | 192361 | 0 | None | -23 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222529 | 192361 | 0 | None | -23 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 42625304 | 178512 | 0 | None | -77 | 5 | Guinea pig | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 237 | 5 | 3 | 2 | 0.4 | CC(C)C(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL471724 | 178512 | 0 | None | -77 | 5 | Guinea pig | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 237 | 5 | 3 | 2 | 0.4 | CC(C)C(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL5083588 | 213748 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095633 | 213748 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 164622259 | 185138 | 0 | None | - | 1 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 336 | 6 | 4 | 5 | 1.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccco1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4865965 | 185138 | 0 | None | - | 1 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 336 | 6 | 4 | 5 | 1.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccco1 | 10.1016/j.ejmech.2021.113190 | ||
| 1204 | 1893 | 114 | None | -61 | 11 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 1247 | 1893 | 114 | None | -61 | 11 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 1375 | 1893 | 114 | None | -61 | 11 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 774 | 1893 | 114 | None | -61 | 11 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| CHEMBL90 | 1893 | 114 | None | -61 | 11 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| DB05381 | 1893 | 114 | None | -61 | 11 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| CHEMBL5075713 | 213743 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095559 | 213743 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| 1204 | 1893 | 114 | None | -61 | 11 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1247 | 1893 | 114 | None | -61 | 11 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1375 | 1893 | 114 | None | -61 | 11 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 774 | 1893 | 114 | None | -61 | 11 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL90 | 1893 | 114 | None | -61 | 11 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| DB05381 | 1893 | 114 | None | -61 | 11 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 17873053 | 9376 | 0 | None | - | 1 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 271 | 5 | 4 | 3 | 1.3 | N=C(NCCCc1c[nH]cn1)NC(=O)c1ccccc1 | 10.1021/jm800841w | ||
| CHEMBL111988 | 9376 | 0 | None | - | 1 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 271 | 5 | 4 | 3 | 1.3 | N=C(NCCCc1c[nH]cn1)NC(=O)c1ccccc1 | 10.1021/jm800841w | ||
| 164619208 | 185070 | 0 | None | - | 1 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccccc1F | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4864852 | 185070 | 0 | None | - | 1 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccccc1F | 10.1016/j.ejmech.2021.113190 | ||
| 164622886 | 185350 | 0 | None | - | 1 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 374 | 7 | 4 | 4 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4869389 | 185350 | 0 | None | - | 1 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 374 | 7 | 4 | 4 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 168268853 | 192173 | 0 | None | -1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5180504 | 192173 | 0 | None | -1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221353 | 192173 | 0 | None | -1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 46887041 | 8657 | 0 | None | -5 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 313 | 7 | 4 | 3 | 2.2 | C[C@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1096428 | 8657 | 0 | None | -5 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 313 | 7 | 4 | 3 | 2.2 | C[C@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL5092267 | 213571 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5075713 | 213743 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095559 | 213743 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| 1204 | 1893 | 114 | None | -14 | 11 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| 1247 | 1893 | 114 | None | -14 | 11 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| 1375 | 1893 | 114 | None | -14 | 11 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| 774 | 1893 | 114 | None | -14 | 11 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL90 | 1893 | 114 | None | -14 | 11 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| DB05381 | 1893 | 114 | None | -14 | 11 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| 1204 | 1893 | 114 | None | -14 | 11 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
| 1247 | 1893 | 114 | None | -14 | 11 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
| 1375 | 1893 | 114 | None | -14 | 11 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
| 774 | 1893 | 114 | None | -14 | 11 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
| CHEMBL90 | 1893 | 114 | None | -14 | 11 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
| DB05381 | 1893 | 114 | None | -14 | 11 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
| 1204 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
| 1247 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
| 1375 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
| 774 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
| CHEMBL90 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
| DB05381 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm900526h | ||
| 1204 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| 1247 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| 1375 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| 774 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| CHEMBL90 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| DB05381 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| 44482302 | 5535 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 321 | 6 | 4 | 4 | 1.2 | Cc1ccc(S(=O)(=O)NC(=N)NCCCc2c[nH]cn2)cc1 | 10.1021/jm900526h | ||
| CHEMBL1077596 | 5535 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 321 | 6 | 4 | 4 | 1.2 | Cc1ccc(S(=O)(=O)NC(=N)NCCCc2c[nH]cn2)cc1 | 10.1021/jm900526h | ||
| 44481217 | 5702 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 335 | 8 | 4 | 4 | 1.0 | N=C(NCCCc1c[nH]cn1)NS(=O)(=O)CCc1ccccc1 | 10.1021/jm900526h | ||
| CHEMBL1078747 | 5702 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 335 | 8 | 4 | 4 | 1.0 | N=C(NCCCc1c[nH]cn1)NS(=O)(=O)CCc1ccccc1 | 10.1021/jm900526h | ||
| CHEMBL5090859 | 213499 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | ||||
| 1204 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| 1247 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| 1375 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| 774 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL90 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| DB05381 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.03.082 | ||
| 1204 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
| 1247 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
| 1375 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
| 774 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
| CHEMBL90 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
| DB05381 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm201128q | ||
| CHEMBL5083588 | 213748 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095633 | 213748 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 168268853 | 192173 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5180504 | 192173 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221353 | 192173 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5077939 | 213755 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095769 | 213755 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 13170764 | 174497 | 0 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 255 | 2 | 1 | 4 | 2.6 | COc1ccc(-c2nc(N)nc3c2CCCC3)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4568452 | 174497 | 0 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 255 | 2 | 1 | 4 | 2.6 | COc1ccc(-c2nc(N)nc3c2CCCC3)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
| 46887080 | 8445 | 0 | None | -1 | 2 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@@H](C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1094452 | 8445 | 0 | None | -1 | 2 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@@H](C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| 168294449 | 192406 | 0 | None | 50 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5204599 | 192406 | 0 | None | 50 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222793 | 192406 | 0 | None | 50 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| 56954513 | 81657 | 0 | None | -3 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 578 | 17 | 6 | 8 | 2.6 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| CHEMBL2165645 | 81657 | 0 | None | -3 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 578 | 17 | 6 | 8 | 2.6 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| CHEMBL5092102 | 213562 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1016/j.bmcl.2021.128388 | ||||
| 164611757 | 184310 | 0 | None | 3 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 402 | 8 | 4 | 4 | 2.8 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4853107 | 184310 | 0 | None | 3 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 402 | 8 | 4 | 4 | 2.8 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 168294449 | 192406 | 0 | None | 50 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5204599 | 192406 | 0 | None | 50 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222793 | 192406 | 0 | None | 50 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| 25149429 | 185372 | 0 | None | - | 1 | Guinea pig | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 305 | 6 | 4 | 3 | 2.2 | CC(C(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1021/jm800841w | ||
| CHEMBL486964 | 185372 | 0 | None | - | 1 | Guinea pig | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 305 | 6 | 4 | 3 | 2.2 | CC(C(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1021/jm800841w | ||
| 168295528 | 192419 | 0 | None | -12 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5206565 | 192419 | 0 | None | -12 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222872 | 192419 | 0 | None | -12 | 10 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5085542 | 213189 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | ||||
| 13170764 | 174497 | 0 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 255 | 2 | 1 | 4 | 2.6 | COc1ccc(-c2nc(N)nc3c2CCCC3)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4568452 | 174497 | 0 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 255 | 2 | 1 | 4 | 2.6 | COc1ccc(-c2nc(N)nc3c2CCCC3)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
| 46887115 | 8411 | 0 | None | -1 | 4 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@H](C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1094144 | 8411 | 0 | None | -1 | 4 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@H](C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| 168268853 | 192173 | 0 | None | 1 | 2 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5180504 | 192173 | 0 | None | 1 | 2 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221353 | 192173 | 0 | None | 1 | 2 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1204 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 1247 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 1375 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 774 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| CHEMBL90 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| DB05381 | 1893 | 114 | None | -61 | 11 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 44481489 | 5622 | 0 | None | -18 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 310 | 8 | 3 | 3 | 2.0 | N#C/N=C(\NCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| CHEMBL1078210 | 5622 | 0 | None | -18 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 310 | 8 | 3 | 3 | 2.0 | N#C/N=C(\NCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| CHEMBL5088914 | 213776 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095949 | 213776 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 164608941 | 183791 | 0 | None | - | 1 | Guinea pig | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 390 | 7 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4845733 | 183791 | 0 | None | - | 1 | Guinea pig | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 390 | 7 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164628701 | 185875 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 338 | 5 | 4 | 4 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4876743 | 185875 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 338 | 5 | 4 | 4 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| 164626370 | 185881 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 338 | 6 | 4 | 4 | 1.8 | CCCCCCNC(=O)/N=C(\N)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4876799 | 185881 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 338 | 6 | 4 | 4 | 1.8 | CCCCCCNC(=O)/N=C(\N)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| 71458814 | 81658 | 0 | None | 1 | 2 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 345 | 7 | 3 | 4 | 2.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCc1ccccc1 | 10.1021/jm201128q | ||
| CHEMBL2165646 | 81658 | 0 | None | 1 | 2 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 345 | 7 | 3 | 4 | 2.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCc1ccccc1 | 10.1021/jm201128q | ||
| 164614549 | 184350 | 0 | None | 1 | 4 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 340 | 9 | 4 | 4 | 2.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4853668 | 184350 | 0 | None | 1 | 4 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 340 | 9 | 4 | 4 | 2.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| 25149335 | 183633 | 0 | None | -5 | 4 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm9000693 | ||
| CHEMBL483406 | 183633 | 0 | None | -5 | 4 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm9000693 | ||
| 25149335 | 183633 | 0 | None | -5 | 4 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm800841w | ||
| CHEMBL483406 | 183633 | 0 | None | -5 | 4 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm800841w | ||
| 56954517 | 81640 | 0 | None | -14 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 502 | 17 | 6 | 6 | 0.5 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1ncn[nH]1)NCCCc1ncn[nH]1 | 10.1021/jm201128q | ||
| CHEMBL2165629 | 81640 | 0 | None | -14 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 502 | 17 | 6 | 6 | 0.5 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1ncn[nH]1)NCCCc1ncn[nH]1 | 10.1021/jm201128q | ||
| 164614645 | 184539 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 402 | 8 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4856572 | 184539 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 402 | 8 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | ||
| 1204 | 1893 | 114 | None | -61 | 11 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
| 1247 | 1893 | 114 | None | -61 | 11 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
| 1375 | 1893 | 114 | None | -61 | 11 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
| 774 | 1893 | 114 | None | -61 | 11 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL90 | 1893 | 114 | None | -61 | 11 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
| DB05381 | 1893 | 114 | None | -61 | 11 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
| 168290235 | 192356 | 0 | None | 3 | 10 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5201074 | 192356 | 0 | None | 3 | 10 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222491 | 192356 | 0 | None | 3 | 10 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 56954002 | 81644 | 0 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 620 | 19 | 6 | 8 | 3.7 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165633 | 81644 | 0 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 620 | 19 | 6 | 8 | 3.7 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 46887077 | 8900 | 0 | None | 1 | 2 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@@H](C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1098441 | 8900 | 0 | None | 1 | 2 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@@H](C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| 44414337 | 79714 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 945 | 24 | 3 | 9 | 8.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCC/N=C(\NC#N)NCCCOc3cccc(CN4CCCCC4)c3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2006.05.039 | ||
| CHEMBL213357 | 79714 | 0 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 945 | 24 | 3 | 9 | 8.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCC/N=C(\NC#N)NCCCOc3cccc(CN4CCCCC4)c3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2006.05.039 | ||
| 90667237 | 108974 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 356 | 9 | 3 | 4 | 2.8 | Cc1nc(CCCCN/C(=N\C#N)NCCSc2ccccc2)c[nH]1 | 10.1039/C3MD00245D | ||
| CHEMBL3220638 | 108974 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 356 | 9 | 3 | 4 | 2.8 | Cc1nc(CCCCN/C(=N\C#N)NCCSc2ccccc2)c[nH]1 | 10.1039/C3MD00245D | ||
| 25149712 | 178398 | 0 | None | -66 | 4 | Guinea pig | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 299 | 7 | 4 | 3 | 1.6 | N=C(NCCCc1c[nH]cn1)NC(=O)CCc1ccccc1 | 10.1021/jm800841w | ||
| CHEMBL470790 | 178398 | 0 | None | -66 | 4 | Guinea pig | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 299 | 7 | 4 | 3 | 1.6 | N=C(NCCCc1c[nH]cn1)NC(=O)CCc1ccccc1 | 10.1021/jm800841w | ||
| 164622190 | 185024 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 360 | 7 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4864067 | 185024 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 360 | 7 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 119570 | 3098 | 90 | None | -128 | 7 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| 2233 | 3098 | 90 | None | -128 | 7 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| 953 | 3098 | 90 | None | -128 | 7 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL301265 | 3098 | 90 | None | -128 | 7 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| DB00413 | 3098 | 90 | None | -128 | 7 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| 164627189 | 185729 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 298 | 6 | 4 | 4 | 1.0 | CCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4874758 | 185729 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 298 | 6 | 4 | 4 | 1.0 | CCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| 164610892 | 184605 | 0 | None | 4 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 394 | 8 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4857560 | 184605 | 0 | None | 4 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 394 | 8 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| 164620139 | 185196 | 0 | None | - | 1 | Guinea pig | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 436 | 8 | 4 | 4 | 3.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4866734 | 185196 | 0 | None | - | 1 | Guinea pig | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 436 | 8 | 4 | 4 | 3.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164612037 | 184785 | 0 | None | -30 | 12 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4860528 | 184785 | 0 | None | -30 | 12 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| 164627189 | 185729 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 298 | 6 | 4 | 4 | 1.0 | CCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4874758 | 185729 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 298 | 6 | 4 | 4 | 1.0 | CCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| 46887042 | 8659 | 0 | None | -6 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 319 | 7 | 4 | 3 | 2.6 | C[C@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1096430 | 8659 | 0 | None | -6 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 319 | 7 | 4 | 3 | 2.6 | C[C@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| 42626109 | 179178 | 0 | None | -9 | 3 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 324 | 6 | 4 | 2 | 1.5 | N/C(=N\C(=O)Cc1c[nH]c2ccccc12)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL474447 | 179178 | 0 | None | -9 | 3 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 324 | 6 | 4 | 2 | 1.5 | N/C(=N\C(=O)Cc1c[nH]c2ccccc12)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 25149425 | 187613 | 0 | None | - | 1 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 285 | 6 | 4 | 3 | 1.2 | N=C(NCCCc1c[nH]cn1)NC(=O)Cc1ccccc1 | 10.1021/jm800841w | ||
| CHEMBL499092 | 187613 | 0 | None | - | 1 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 285 | 6 | 4 | 3 | 1.2 | N=C(NCCCc1c[nH]cn1)NC(=O)Cc1ccccc1 | 10.1021/jm800841w | ||
| 42625386 | 177768 | 0 | None | -117 | 5 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 237 | 6 | 3 | 2 | 0.6 | CCCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL465170 | 177768 | 0 | None | -117 | 5 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 237 | 6 | 3 | 2 | 0.6 | CCCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL5094663 | 213720 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 46887042 | 8659 | 0 | None | -15 | 5 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 319 | 7 | 4 | 3 | 2.6 | C[C@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1096430 | 8659 | 0 | None | -15 | 5 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 319 | 7 | 4 | 3 | 2.6 | C[C@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| 56954425 | 81655 | 0 | None | 1 | 3 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 584 | 23 | 6 | 4 | 4.0 | N/C(=N\C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| CHEMBL2165643 | 81655 | 0 | None | 1 | 3 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 584 | 23 | 6 | 4 | 4.0 | N/C(=N\C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| 1226 | 1980 | 16 | None | 1 | 2 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 10.1021/jm800841w | ||
| 41376 | 1980 | 16 | None | 1 | 2 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 10.1021/jm800841w | ||
| CHEMBL12608 | 1980 | 16 | None | 1 | 2 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 10.1021/jm800841w | ||
| 168273640 | 192193 | 0 | None | 4 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5176229 | 192193 | 0 | None | 4 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221444 | 192193 | 0 | None | 4 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168295541 | 192428 | 0 | None | -8 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5208845 | 192428 | 0 | None | -8 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222926 | 192428 | 0 | None | -8 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 126688 | 400 | 28 | None | -1 | 3 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1021/jm201128q | ||
| 4025 | 400 | 28 | None | -1 | 3 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1021/jm201128q | ||
| CHEMBL293762 | 400 | 28 | None | -1 | 3 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1021/jm201128q | ||
| CHEMBL5094663 | 213720 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 126688 | 400 | 28 | None | 1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1021/jm201128q | ||
| 4025 | 400 | 28 | None | 1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1021/jm201128q | ||
| CHEMBL293762 | 400 | 28 | None | 1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1021/jm201128q | ||
| CHEMBL5092102 | 213562 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1016/j.bmcl.2021.128388 | ||||
| 44481214 | 5644 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 314 | 7 | 4 | 2 | 1.2 | NC(=O)/N=C(/NCCCc1ccccc1)NCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| CHEMBL1078358 | 5644 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 314 | 7 | 4 | 2 | 1.2 | NC(=O)/N=C(/NCCCc1ccccc1)NCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| 168295528 | 192419 | 0 | None | 12 | 10 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5206565 | 192419 | 0 | None | 12 | 10 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222872 | 192419 | 0 | None | 12 | 10 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168290815 | 192361 | 0 | None | 23 | 3 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5200771 | 192361 | 0 | None | 23 | 3 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222529 | 192361 | 0 | None | 23 | 3 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 56953887 | 81659 | 0 | None | 22 | 2 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 536 | 13 | 6 | 8 | 1.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165647 | 81659 | 0 | None | 22 | 2 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 536 | 13 | 6 | 8 | 1.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 56953887 | 81659 | 0 | None | 22 | 2 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 536 | 13 | 6 | 8 | 1.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165647 | 81659 | 0 | None | 22 | 2 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 536 | 13 | 6 | 8 | 1.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 56954002 | 81644 | 0 | None | -1 | 2 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 620 | 19 | 6 | 8 | 3.7 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165633 | 81644 | 0 | None | -1 | 2 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 620 | 19 | 6 | 8 | 3.7 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 56953998 | 81642 | 0 | None | 29 | 2 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 578 | 16 | 6 | 8 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165631 | 81642 | 0 | None | 29 | 2 | Guinea pig | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 578 | 16 | 6 | 8 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 168295541 | 192428 | 0 | None | 8 | 3 | Guinea pig | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5208845 | 192428 | 0 | None | 8 | 3 | Guinea pig | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222926 | 192428 | 0 | None | 8 | 3 | Guinea pig | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 46887080 | 8445 | 0 | None | 1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@@H](C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1094452 | 8445 | 0 | None | 1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@@H](C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| 71458814 | 81658 | 0 | None | -1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 345 | 7 | 3 | 4 | 2.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCc1ccccc1 | 10.1021/jm201128q | ||
| CHEMBL2165646 | 81658 | 0 | None | -1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 345 | 7 | 3 | 4 | 2.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCc1ccccc1 | 10.1021/jm201128q | ||
| 56954231 | 81650 | 0 | None | - | 1 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 732 | 29 | 6 | 8 | 7.0 | N/C(=N\C(=O)CCCCCCCCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| CHEMBL2165639 | 81650 | 0 | None | - | 1 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 732 | 29 | 6 | 8 | 7.0 | N/C(=N\C(=O)CCCCCCCCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| 1202 | 3890 | 1 | None | - | 1 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 411 | 8 | 3 | 3 | 3.3 | O=C(CC(c1ccc(cc1)F)c1ccc(cc1)F)NC(=NCCCc1cnc[nH]1)N | 10.1021/jm800841w | ||
| 25150704 | 3890 | 1 | None | - | 1 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 411 | 8 | 3 | 3 | 3.3 | O=C(CC(c1ccc(cc1)F)c1ccc(cc1)F)NC(=NCCCc1cnc[nH]1)N | 10.1021/jm800841w | ||
| CHEMBL513883 | 3890 | 1 | None | - | 1 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 411 | 8 | 3 | 3 | 3.3 | O=C(CC(c1ccc(cc1)F)c1ccc(cc1)F)NC(=NCCCc1cnc[nH]1)N | 10.1021/jm800841w | ||
| CHEMBL5076746 | 213739 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(N)(=O)=O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095519 | 213739 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(N)(=O)=O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5075106 | 213741 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095549 | 213741 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 56954227 | 81648 | 0 | None | -4 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 564 | 17 | 6 | 8 | 2.3 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| CHEMBL2165637 | 81648 | 0 | None | -4 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 564 | 17 | 6 | 8 | 2.3 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| 164608815 | 183862 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4846638 | 183862 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| 155544816 | 174451 | 0 | None | 2 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 269 | 2 | 1 | 4 | 2.9 | COc1ccc(-c2nc(N)nc3c2CC(C)CC3)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4567405 | 174451 | 0 | None | 2 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 269 | 2 | 1 | 4 | 2.9 | COc1ccc(-c2nc(N)nc3c2CC(C)CC3)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
| 56954318 | 81652 | 0 | None | -19 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 444 | 13 | 6 | 4 | 0.1 | N/C(=N\C(=O)CCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| CHEMBL2165640 | 81652 | 0 | None | -19 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 444 | 13 | 6 | 4 | 0.1 | N/C(=N\C(=O)CCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| 164627774 | 185973 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 344 | 3 | 4 | 4 | 1.4 | N/C(=N\C(=O)NCc1ccccc1)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4878215 | 185973 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 344 | 3 | 4 | 4 | 1.4 | N/C(=N\C(=O)NCc1ccccc1)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| 155544816 | 174451 | 0 | None | 2 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 269 | 2 | 1 | 4 | 2.9 | COc1ccc(-c2nc(N)nc3c2CC(C)CC3)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4567405 | 174451 | 0 | None | 2 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 269 | 2 | 1 | 4 | 2.9 | COc1ccc(-c2nc(N)nc3c2CC(C)CC3)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
| 46887076 | 8855 | 0 | None | 1 | 2 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)CC(C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1098110 | 8855 | 0 | None | 1 | 2 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)CC(C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| 164618508 | 185340 | 0 | None | - | 1 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 374 | 6 | 4 | 4 | 2.7 | Cc1ccc(C(C)NC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4869194 | 185340 | 0 | None | - | 1 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 374 | 6 | 4 | 4 | 2.7 | Cc1ccc(C(C)NC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164611807 | 184391 | 0 | None | - | 1 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 376 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4854278 | 184391 | 0 | None | - | 1 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 376 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164608815 | 183862 | 0 | None | 3 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4846638 | 183862 | 0 | None | 3 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 380 | 7 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| 164614907 | 183991 | 0 | None | - | 1 | Guinea pig | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(F)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4848697 | 183991 | 0 | None | - | 1 | Guinea pig | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(F)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164622330 | 185270 | 0 | None | 9 | 3 | Guinea pig | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 360 | 6 | 4 | 4 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4867962 | 185270 | 0 | None | 9 | 3 | Guinea pig | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 360 | 6 | 4 | 4 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 46830167 | 8658 | 0 | None | -13 | 5 | Guinea pig | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 313 | 7 | 4 | 3 | 2.2 | C[C@@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1096429 | 8658 | 0 | None | -13 | 5 | Guinea pig | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 313 | 7 | 4 | 3 | 2.2 | C[C@@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| 168286426 | 192314 | 0 | None | 5 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5198795 | 192314 | 0 | None | 5 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222241 | 192314 | 0 | None | 5 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 164609493 | 183844 | 0 | None | -23 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 350 | 6 | 4 | 5 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccco1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4846380 | 183844 | 0 | None | -23 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 350 | 6 | 4 | 5 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccco1 | 10.1016/j.ejmech.2021.113190 | ||
| 168292954 | 192385 | 0 | None | 7 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5202592 | 192385 | 0 | None | 7 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222660 | 192385 | 0 | None | 7 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294767 | 192407 | 0 | None | -6 | 11 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5207281 | 192407 | 0 | None | -6 | 11 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222802 | 192407 | 0 | None | -6 | 11 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5075106 | 213741 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095549 | 213741 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 164622153 | 184976 | 0 | None | - | 1 | Guinea pig | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 394 | 6 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4863347 | 184976 | 0 | None | - | 1 | Guinea pig | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 394 | 6 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 56954425 | 81655 | 0 | None | -1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 584 | 23 | 6 | 4 | 4.0 | N/C(=N\C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| CHEMBL2165643 | 81655 | 0 | None | -1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 584 | 23 | 6 | 4 | 4.0 | N/C(=N\C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| 155523256 | 170169 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 269 | 2 | 1 | 4 | 3.2 | COc1cccc(-c2nc(N)nc3c2CCCC3C)c1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4452406 | 170169 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 269 | 2 | 1 | 4 | 3.2 | COc1cccc(-c2nc(N)nc3c2CCCC3C)c1 | 10.1021/acs.jmedchem.9b00241 | ||
| 168295541 | 192428 | 0 | None | 8 | 3 | Guinea pig | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5208845 | 192428 | 0 | None | 8 | 3 | Guinea pig | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222926 | 192428 | 0 | None | 8 | 3 | Guinea pig | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 46830167 | 8658 | 0 | None | -13 | 5 | Guinea pig | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 313 | 7 | 4 | 3 | 2.2 | C[C@@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1096429 | 8658 | 0 | None | -13 | 5 | Guinea pig | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 313 | 7 | 4 | 3 | 2.2 | C[C@@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| 164610648 | 184245 | 0 | None | - | 1 | Guinea pig | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 374 | 7 | 4 | 4 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4852212 | 184245 | 0 | None | - | 1 | Guinea pig | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 374 | 7 | 4 | 4 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 56954125 | 81645 | 0 | None | 5 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 676 | 23 | 6 | 8 | 5.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165634 | 81645 | 0 | None | 5 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 676 | 23 | 6 | 8 | 5.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 168290235 | 192356 | 0 | None | -3 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5201074 | 192356 | 0 | None | -3 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222491 | 192356 | 0 | None | -3 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294767 | 192407 | 0 | None | -6 | 11 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5207281 | 192407 | 0 | None | -6 | 11 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222802 | 192407 | 0 | None | -6 | 11 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 155523256 | 170169 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 269 | 2 | 1 | 4 | 3.2 | COc1cccc(-c2nc(N)nc3c2CCCC3C)c1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4452406 | 170169 | 0 | None | -3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 269 | 2 | 1 | 4 | 3.2 | COc1cccc(-c2nc(N)nc3c2CCCC3C)c1 | 10.1021/acs.jmedchem.9b00241 | ||
| 1204 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1247 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1375 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 774 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL90 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| DB05381 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5092267 | 213571 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | ||||
| 164609017 | 183833 | 0 | None | -6 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 416 | 10 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4846201 | 183833 | 0 | None | -6 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 416 | 10 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL5093461 | 213767 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095884 | 213767 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| 164626153 | 185786 | 0 | None | 2 | 4 | Guinea pig | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccc(F)c1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4875600 | 185786 | 0 | None | 2 | 4 | Guinea pig | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccc(F)c1 | 10.1016/j.ejmech.2021.113190 | ||
| 164617783 | 183997 | 0 | None | -2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.8 | CCC(CNC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4848815 | 183997 | 0 | None | -2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.8 | CCC(CNC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 56954002 | 81644 | 0 | None | -1 | 2 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 620 | 19 | 6 | 8 | 3.7 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165633 | 81644 | 0 | None | -1 | 2 | Guinea pig | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 620 | 19 | 6 | 8 | 3.7 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 46887078 | 8901 | 0 | None | -1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@H](C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1098442 | 8901 | 0 | None | -1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@H](C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| 25149521 | 178464 | 0 | None | -1 | 3 | Guinea pig | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 375 | 8 | 4 | 3 | 3.2 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccccc1 | 10.1021/jm800841w | ||
| CHEMBL471413 | 178464 | 0 | None | -1 | 3 | Guinea pig | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 375 | 8 | 4 | 3 | 3.2 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccccc1 | 10.1021/jm800841w | ||
| 46887115 | 8411 | 0 | None | 1 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@H](C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1094144 | 8411 | 0 | None | 1 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@H](C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| 164617783 | 183997 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.8 | CCC(CNC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4848815 | 183997 | 0 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.8 | CCC(CNC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164611342 | 184495 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 346 | 6 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4856005 | 184495 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 346 | 6 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164620704 | 185491 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 416 | 8 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)c1ccc(C(C)C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4871482 | 185491 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 416 | 8 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)c1ccc(C(C)C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 168295541 | 192428 | 0 | None | -8 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5208845 | 192428 | 0 | None | -8 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222926 | 192428 | 0 | None | -8 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168286426 | 192314 | 0 | None | 5 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5198795 | 192314 | 0 | None | 5 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222241 | 192314 | 0 | None | 5 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1269 | 121 | 33 | None | -67 | 6 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1021/jm900526h | ||
| 37463 | 121 | 33 | None | -67 | 6 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1021/jm900526h | ||
| CHEMBL275443 | 121 | 33 | None | -67 | 6 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1021/jm900526h | ||
| 164624107 | 185130 | 0 | None | 8 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4865765 | 185130 | 0 | None | 8 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 56954320 | 81653 | 0 | None | 1 | 4 | Guinea pig | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 472 | 15 | 6 | 4 | 0.9 | N/C(=N\C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| CHEMBL2165641 | 81653 | 0 | None | 1 | 4 | Guinea pig | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 472 | 15 | 6 | 4 | 0.9 | N/C(=N\C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| 168295528 | 192419 | 0 | None | -12 | 10 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5206565 | 192419 | 0 | None | -12 | 10 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222872 | 192419 | 0 | None | -12 | 10 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 56954513 | 81657 | 0 | None | 3 | 2 | Guinea pig | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 578 | 17 | 6 | 8 | 2.6 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| CHEMBL2165645 | 81657 | 0 | None | 3 | 2 | Guinea pig | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 578 | 17 | 6 | 8 | 2.6 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| 1200 | 3888 | 1 | None | - | 1 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 335 | 8 | 4 | 5 | 0.7 | O=C(NC(=NCCCc1cnc[nH]1)N)CSCc1nc[nH]c1C | 10.1021/jm800841w | ||
| 25149519 | 3888 | 1 | None | - | 1 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 335 | 8 | 4 | 5 | 0.7 | O=C(NC(=NCCCc1cnc[nH]1)N)CSCc1nc[nH]c1C | 10.1021/jm800841w | ||
| CHEMBL513056 | 3888 | 1 | None | - | 1 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 335 | 8 | 4 | 5 | 0.7 | O=C(NC(=NCCCc1cnc[nH]1)N)CSCc1nc[nH]c1C | 10.1021/jm800841w | ||
| 56954129 | 81647 | 0 | None | -22 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 536 | 15 | 6 | 8 | 1.5 | N/C(=N\C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| CHEMBL2165636 | 81647 | 0 | None | -22 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 536 | 15 | 6 | 8 | 1.5 | N/C(=N\C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| 164614645 | 184539 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 402 | 8 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4856572 | 184539 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 402 | 8 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | ||
| 42625303 | 180174 | 0 | None | -190 | 7 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 223 | 5 | 3 | 2 | 0.2 | CCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL475621 | 180174 | 0 | None | -190 | 7 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 223 | 5 | 3 | 2 | 0.2 | CCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 164610892 | 184605 | 0 | None | 4 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 394 | 8 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4857560 | 184605 | 0 | None | 4 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 394 | 8 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| 25149609 | 178551 | 0 | None | - | 1 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 443 | 8 | 4 | 3 | 4.5 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm800841w | ||
| CHEMBL472054 | 178551 | 0 | None | - | 1 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 443 | 8 | 4 | 3 | 4.5 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm800841w | ||
| 155565842 | 175033 | 0 | None | -5 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 317 | 1 | 1 | 3 | 3.9 | CC1CCCc2c(-c3cccc(Br)c3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4580450 | 175033 | 0 | None | -5 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 317 | 1 | 1 | 3 | 3.9 | CC1CCCc2c(-c3cccc(Br)c3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| 1269 | 121 | 33 | None | -67 | 6 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 37463 | 121 | 33 | None | -67 | 6 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL275443 | 121 | 33 | None | -67 | 6 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 168290235 | 192356 | 0 | None | -3 | 10 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5201074 | 192356 | 0 | None | -3 | 10 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222491 | 192356 | 0 | None | -3 | 10 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 46887043 | 8660 | 0 | None | -3 | 5 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 319 | 7 | 4 | 3 | 2.6 | C[C@@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1096431 | 8660 | 0 | None | -3 | 5 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 319 | 7 | 4 | 3 | 2.6 | C[C@@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| 1199 | 2916 | 0 | None | - | 1 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 394 | 8 | 3 | 4 | 2.5 | NC(=NCCCc1[nH]cnc1)NC(=O)CC(c1ccccn1)c1ccc(cc1)F | 10.1021/jm800841w | ||
| 25149244 | 2916 | 0 | None | - | 1 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 394 | 8 | 3 | 4 | 2.5 | NC(=NCCCc1[nH]cnc1)NC(=O)CC(c1ccccn1)c1ccc(cc1)F | 10.1021/jm800841w | ||
| CHEMBL472273 | 2916 | 0 | None | - | 1 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 394 | 8 | 3 | 4 | 2.5 | NC(=NCCCc1[nH]cnc1)NC(=O)CC(c1ccccn1)c1ccc(cc1)F | 10.1021/jm800841w | ||
| CHEMBL5094083 | 213682 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | C=C(/N=C(\C)NCCCc1nnc(N)s1)NCCCCCCCCN | 10.1016/j.bmcl.2021.128388 | ||||
| 56954127 | 81646 | 0 | None | - | 1 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 760 | 29 | 6 | 8 | 7.6 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165635 | 81646 | 0 | None | - | 1 | Guinea pig | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 760 | 29 | 6 | 8 | 7.6 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 164627020 | 185816 | 0 | None | -8 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 422 | 7 | 4 | 4 | 3.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4876025 | 185816 | 0 | None | -8 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 422 | 7 | 4 | 4 | 3.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL5075713 | 213743 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095559 | 213743 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5093461 | 213767 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095884 | 213767 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5083588 | 213748 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095633 | 213748 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 164610421 | 184668 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 332 | 5 | 4 | 4 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)Nc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4858567 | 184668 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 332 | 5 | 4 | 4 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)Nc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 44588146 | 175330 | 0 | None | - | 1 | Guinea pig | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 380 | 13 | 0 | 2 | 6.6 | CCCN(CCC)Cc1ccc(-c2ccc(CN(CCC)CCC)cc2)cc1 | 10.1016/j.bmc.2008.10.029 | ||
| CHEMBL458718 | 175330 | 0 | None | - | 1 | Guinea pig | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 380 | 13 | 0 | 2 | 6.6 | CCCN(CCC)Cc1ccc(-c2ccc(CN(CCC)CCC)cc2)cc1 | 10.1016/j.bmc.2008.10.029 | ||
| 56954125 | 81645 | 0 | None | -5 | 2 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 676 | 23 | 6 | 8 | 5.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165634 | 81645 | 0 | None | -5 | 2 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 676 | 23 | 6 | 8 | 5.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 56954427 | 81656 | 0 | None | 12 | 2 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 669 | 29 | 6 | 4 | 6.4 | N/C(=N\C(=O)CCCCCCCCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| CHEMBL2165644 | 81656 | 0 | None | 12 | 2 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 669 | 29 | 6 | 4 | 6.4 | N/C(=N\C(=O)CCCCCCCCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| 164614841 | 184682 | 0 | None | - | 1 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 388 | 7 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4858849 | 184682 | 0 | None | - | 1 | Guinea pig | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 388 | 7 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | ||
| 168273640 | 192193 | 0 | None | 4 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5176229 | 192193 | 0 | None | 4 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221444 | 192193 | 0 | None | 4 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 164620704 | 185491 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 416 | 8 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)c1ccc(C(C)C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4871482 | 185491 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 416 | 8 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)c1ccc(C(C)C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164624107 | 185130 | 0 | None | 8 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4865765 | 185130 | 0 | None | 8 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 42625223 | 179335 | 0 | None | -323 | 4 | Guinea pig | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 395 | 8 | 4 | 3 | 1.4 | CN(CCC(=O)/N=C(\N)NCCCc1c[nH]cn1)C(=O)c1cc2ccccc2[nH]1 | 10.1021/jm9000693 | ||
| CHEMBL474617 | 179335 | 0 | None | -323 | 4 | Guinea pig | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 395 | 8 | 4 | 3 | 1.4 | CN(CCC(=O)/N=C(\N)NCCCc1c[nH]cn1)C(=O)c1cc2ccccc2[nH]1 | 10.1021/jm9000693 | ||
| 155567151 | 175269 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 245 | 1 | 1 | 3 | 3.5 | CC1CCCc2c1nc(N)nc2C1CCCCC1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4585616 | 175269 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 245 | 1 | 1 | 3 | 3.5 | CC1CCCc2c1nc(N)nc2C1CCCCC1 | 10.1021/acs.jmedchem.9b00241 | ||
| 155567151 | 175269 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 245 | 1 | 1 | 3 | 3.5 | CC1CCCc2c1nc(N)nc2C1CCCCC1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4585616 | 175269 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 245 | 1 | 1 | 3 | 3.5 | CC1CCCc2c1nc(N)nc2C1CCCCC1 | 10.1021/acs.jmedchem.9b00241 | ||
| 25149706 | 178374 | 0 | None | - | 1 | Guinea pig | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 299 | 6 | 4 | 3 | 1.8 | CC(C(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm800841w | ||
| CHEMBL470564 | 178374 | 0 | None | - | 1 | Guinea pig | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 299 | 6 | 4 | 3 | 1.8 | CC(C(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm800841w | ||
| 25149515 | 185238 | 0 | None | - | 1 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 319 | 8 | 4 | 3 | 2.7 | N=C(NCCCc1c[nH]cn1)NC(=O)CCCC1CCCCC1 | 10.1021/jm800841w | ||
| CHEMBL486746 | 185238 | 0 | None | - | 1 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 319 | 8 | 4 | 3 | 2.7 | N=C(NCCCc1c[nH]cn1)NC(=O)CCCC1CCCCC1 | 10.1021/jm800841w | ||
| 164616851 | 184357 | 0 | None | -4 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 376 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4853772 | 184357 | 0 | None | -4 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 376 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164618283 | 183951 | 0 | None | - | 1 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 390 | 7 | 4 | 5 | 2.4 | COc1ccc(C(C)NC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4848026 | 183951 | 0 | None | - | 1 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 390 | 7 | 4 | 5 | 2.4 | COc1ccc(C(C)NC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 25149613 | 178611 | 0 | None | 2 | 3 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.7 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1nccs1 | 10.1021/jm800841w | ||
| CHEMBL472441 | 178611 | 0 | None | 2 | 3 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 382 | 8 | 4 | 5 | 2.7 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1nccs1 | 10.1021/jm800841w | ||
| 25149337 | 187791 | 0 | None | - | 1 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 314 | 7 | 4 | 4 | 1.6 | CC(CC(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccn1 | 10.1021/jm800841w | ||
| CHEMBL501589 | 187791 | 0 | None | - | 1 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 314 | 7 | 4 | 4 | 1.6 | CC(CC(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccn1 | 10.1021/jm800841w | ||
| 25149708 | 187842 | 0 | None | -17 | 4 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 319 | 7 | 4 | 4 | 2.2 | CC(CC(=O)NC(=N)NCCCc1c[nH]cn1)c1cccs1 | 10.1021/jm800841w | ||
| CHEMBL502339 | 187842 | 0 | None | -17 | 4 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 319 | 7 | 4 | 4 | 2.2 | CC(CC(=O)NC(=N)NCCCc1c[nH]cn1)c1cccs1 | 10.1021/jm800841w | ||
| 168290235 | 192356 | 0 | None | 3 | 10 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5201074 | 192356 | 0 | None | 3 | 10 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222491 | 192356 | 0 | None | 3 | 10 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 25149710 | 178550 | 0 | None | - | 1 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 320 | 7 | 4 | 5 | 1.6 | CC(CC(=O)NC(=N)NCCCc1c[nH]cn1)c1nccs1 | 10.1021/jm800841w | ||
| CHEMBL472039 | 178550 | 0 | None | - | 1 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 320 | 7 | 4 | 5 | 1.6 | CC(CC(=O)NC(=N)NCCCc1c[nH]cn1)c1nccs1 | 10.1021/jm800841w | ||
| 164614549 | 184350 | 0 | None | -3 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 340 | 9 | 4 | 4 | 2.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4853668 | 184350 | 0 | None | -3 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 340 | 9 | 4 | 4 | 2.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| 44482300 | 5701 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 342 | 9 | 4 | 2 | 2.0 | NC(=O)/N=C(/NCCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| CHEMBL1078746 | 5701 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 342 | 9 | 4 | 2 | 2.0 | NC(=O)/N=C(/NCCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| 1204 | 1893 | 114 | None | -61 | 11 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 1247 | 1893 | 114 | None | -61 | 11 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 1375 | 1893 | 114 | None | -61 | 11 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 774 | 1893 | 114 | None | -61 | 11 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| CHEMBL90 | 1893 | 114 | None | -61 | 11 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| DB05381 | 1893 | 114 | None | -61 | 11 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 1204 | 1893 | 114 | None | -61 | 11 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 1247 | 1893 | 114 | None | -61 | 11 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 1375 | 1893 | 114 | None | -61 | 11 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 774 | 1893 | 114 | None | -61 | 11 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL90 | 1893 | 114 | None | -61 | 11 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| DB05381 | 1893 | 114 | None | -61 | 11 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 1204 | 1893 | 114 | None | -61 | 11 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1247 | 1893 | 114 | None | -61 | 11 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1375 | 1893 | 114 | None | -61 | 11 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 774 | 1893 | 114 | None | -61 | 11 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL90 | 1893 | 114 | None | -61 | 11 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| DB05381 | 1893 | 114 | None | -61 | 11 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 164628701 | 185875 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 338 | 5 | 4 | 4 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4876743 | 185875 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 338 | 5 | 4 | 4 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL5087637 | 213769 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095891 | 213769 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 44481487 | 6015 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 302 | 7 | 3 | 3 | 2.3 | N#C/N=C(/NCCCC1CCCCC1)NCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| CHEMBL1080772 | 6015 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 302 | 7 | 3 | 3 | 2.3 | N#C/N=C(/NCCCC1CCCCC1)NCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| 164627020 | 185816 | 0 | None | 8 | 2 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 422 | 7 | 4 | 4 | 3.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4876025 | 185816 | 0 | None | 8 | 2 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 422 | 7 | 4 | 4 | 3.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 46887078 | 8901 | 0 | None | 1 | 2 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@H](C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1098442 | 8901 | 0 | None | 1 | 2 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@H](C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| 25149331 | 188801 | 0 | None | - | 1 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 491 | 10 | 4 | 5 | 3.7 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccc(F)c(F)c1)c1nccn1Cc1ccccc1 | 10.1021/jm800841w | ||
| CHEMBL513039 | 188801 | 0 | None | - | 1 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 491 | 10 | 4 | 5 | 3.7 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccc(F)c(F)c1)c1nccn1Cc1ccccc1 | 10.1021/jm800841w | ||
| 59868 | 93707 | 56 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@@H]1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL249420 | 93707 | 56 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@@H]1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| 168294767 | 192407 | 0 | None | 6 | 11 | Guinea pig | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5207281 | 192407 | 0 | None | 6 | 11 | Guinea pig | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222802 | 192407 | 0 | None | 6 | 11 | Guinea pig | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168290815 | 192361 | 0 | None | 23 | 3 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5200771 | 192361 | 0 | None | 23 | 3 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222529 | 192361 | 0 | None | 23 | 3 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168273745 | 192196 | 0 | None | 4 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5178472 | 192196 | 0 | None | 4 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221451 | 192196 | 0 | None | 4 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168273640 | 192193 | 0 | None | 4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5176229 | 192193 | 0 | None | 4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221444 | 192193 | 0 | None | 4 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5075713 | 213743 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095559 | 213743 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| 44482299 | 5645 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 328 | 8 | 4 | 2 | 1.6 | NC(=O)/N=C(/NCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| CHEMBL1078359 | 5645 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 328 | 8 | 4 | 2 | 1.6 | NC(=O)/N=C(/NCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| 164627774 | 185973 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 344 | 3 | 4 | 4 | 1.4 | N/C(=N\C(=O)NCc1ccccc1)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4878215 | 185973 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 344 | 3 | 4 | 4 | 1.4 | N/C(=N\C(=O)NCc1ccccc1)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| 56953998 | 81642 | 0 | None | -29 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 578 | 16 | 6 | 8 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165631 | 81642 | 0 | None | -29 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 578 | 16 | 6 | 8 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 164622190 | 185024 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 360 | 7 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4864067 | 185024 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 360 | 7 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164609729 | 184505 | 0 | None | -6 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 360 | 6 | 4 | 4 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4856059 | 184505 | 0 | None | -6 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 360 | 6 | 4 | 4 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 25149811 | 185370 | 0 | None | - | 1 | Guinea pig | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 327 | 9 | 4 | 3 | 2.4 | N=C(NCCCc1c[nH]cn1)NC(=O)CCCCc1ccccc1 | 10.1021/jm800841w | ||
| CHEMBL486963 | 185370 | 0 | None | - | 1 | Guinea pig | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 327 | 9 | 4 | 3 | 2.4 | N=C(NCCCc1c[nH]cn1)NC(=O)CCCCc1ccccc1 | 10.1021/jm800841w | ||
| 164611143 | 184123 | 0 | None | - | 1 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 414 | 6 | 4 | 4 | 2.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)C(F)(F)F | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4850448 | 184123 | 0 | None | - | 1 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 414 | 6 | 4 | 4 | 2.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)C(F)(F)F | 10.1016/j.ejmech.2021.113190 | ||
| 25149431 | 184845 | 0 | None | - | 1 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 277 | 5 | 4 | 3 | 1.6 | N=C(NCCCc1c[nH]cn1)NC(=O)C1CCCCC1 | 10.1021/jm800841w | ||
| CHEMBL486153 | 184845 | 0 | None | - | 1 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 277 | 5 | 4 | 3 | 1.6 | N=C(NCCCc1c[nH]cn1)NC(=O)C1CCCCC1 | 10.1021/jm800841w | ||
| 56953889 | 81641 | 0 | None | -120 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 564 | 15 | 6 | 8 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165630 | 81641 | 0 | None | -120 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 564 | 15 | 6 | 8 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 46887076 | 8855 | 0 | None | 1 | 2 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)CC(C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1098110 | 8855 | 0 | None | 1 | 2 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)CC(C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| 168273745 | 192196 | 0 | None | 4 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5178472 | 192196 | 0 | None | 4 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221451 | 192196 | 0 | None | 4 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 164612760 | 184125 | 0 | None | - | 1 | Guinea pig | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 390 | 7 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4850490 | 184125 | 0 | None | - | 1 | Guinea pig | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 390 | 7 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 42625224 | 180172 | 0 | None | -16 | 2 | Guinea pig | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 395 | 9 | 5 | 3 | 1.5 | N/C(=N\C(=O)CCCNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL475620 | 180172 | 0 | None | -16 | 2 | Guinea pig | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 395 | 9 | 5 | 3 | 1.5 | N/C(=N\C(=O)CCCNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 56954227 | 81648 | 0 | None | 4 | 2 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 564 | 17 | 6 | 8 | 2.3 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| CHEMBL2165637 | 81648 | 0 | None | 4 | 2 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 564 | 17 | 6 | 8 | 2.3 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| 168294767 | 192407 | 0 | None | 6 | 11 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5207281 | 192407 | 0 | None | 6 | 11 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222802 | 192407 | 0 | None | 6 | 11 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 164612037 | 184785 | 0 | None | 2 | 12 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4860528 | 184785 | 0 | None | 2 | 12 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| 168294767 | 192407 | 0 | None | -6 | 11 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5207281 | 192407 | 0 | None | -6 | 11 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222802 | 192407 | 0 | None | -6 | 11 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 46887076 | 8855 | 0 | None | -1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)CC(C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1098110 | 8855 | 0 | None | -1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)CC(C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| 25149246 | 188876 | 0 | None | - | 1 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 418 | 8 | 4 | 5 | 2.9 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccc(F)c(F)c1)c1nccs1 | 10.1021/jm800841w | ||
| CHEMBL513755 | 188876 | 0 | None | - | 1 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 418 | 8 | 4 | 5 | 2.9 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccc(F)c(F)c1)c1nccs1 | 10.1021/jm800841w | ||
| CHEMBL5094663 | 213720 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 25149611 | 178586 | 0 | None | - | 1 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 376 | 8 | 4 | 4 | 2.6 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccccn1 | 10.1021/jm800841w | ||
| CHEMBL472272 | 178586 | 0 | None | - | 1 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 376 | 8 | 4 | 4 | 2.6 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccccn1 | 10.1021/jm800841w | ||
| CHEMBL5094663 | 213720 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 155542256 | 172505 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 257 | 5 | 1 | 4 | 3.1 | CCCCc1cc(-c2ccc(OC)cc2)nc(N)n1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4519923 | 172505 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 257 | 5 | 1 | 4 | 3.1 | CCCCc1cc(-c2ccc(OC)cc2)nc(N)n1 | 10.1021/acs.jmedchem.9b00241 | ||
| 168297879 | 191740 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 640 | 18 | 5 | 9 | 4.9 | CCOC(=O)C1=C(C)NC(CSCCCCCNC(=N)NCCCc2ccc[nH]2)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 | 10.1016/j.bmc.2022.116706 | ||
| CHEMBL5207008 | 191740 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 640 | 18 | 5 | 9 | 4.9 | CCOC(=O)C1=C(C)NC(CSCCCCCNC(=N)NCCCc2ccc[nH]2)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 | 10.1016/j.bmc.2022.116706 | ||
| 164610421 | 184668 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 332 | 5 | 4 | 4 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)Nc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4858567 | 184668 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 332 | 5 | 4 | 4 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)Nc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 155542256 | 172505 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 257 | 5 | 1 | 4 | 3.1 | CCCCc1cc(-c2ccc(OC)cc2)nc(N)n1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4519923 | 172505 | 0 | None | -1 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 257 | 5 | 1 | 4 | 3.1 | CCCCc1cc(-c2ccc(OC)cc2)nc(N)n1 | 10.1021/acs.jmedchem.9b00241 | ||
| 155544839 | 174361 | 0 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 284 | 2 | 1 | 5 | 3.1 | CC1CCCc2c(-c3ccc([N+](=O)[O-])cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4565419 | 174361 | 0 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 284 | 2 | 1 | 5 | 3.1 | CC1CCCc2c(-c3ccc([N+](=O)[O-])cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| 46887077 | 8900 | 0 | None | -1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@@H](C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1098441 | 8900 | 0 | None | -1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@@H](C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| 25149240 | 188762 | 0 | None | - | 1 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 411 | 8 | 4 | 3 | 3.5 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccc(F)c(F)c1 | 10.1021/jm800841w | ||
| CHEMBL512716 | 188762 | 0 | None | - | 1 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 411 | 8 | 4 | 3 | 3.5 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccc(F)c(F)c1 | 10.1021/jm800841w | ||
| 155544839 | 174361 | 0 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 284 | 2 | 1 | 5 | 3.1 | CC1CCCc2c(-c3ccc([N+](=O)[O-])cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4565419 | 174361 | 0 | None | 2 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 284 | 2 | 1 | 5 | 3.1 | CC1CCCc2c(-c3ccc([N+](=O)[O-])cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| 164627241 | 185837 | 0 | None | - | 1 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 438 | 6 | 4 | 4 | 3.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(Br)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4876267 | 185837 | 0 | None | - | 1 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 438 | 6 | 4 | 4 | 3.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(Br)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 25149607 | 178288 | 0 | None | - | 1 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 393 | 8 | 4 | 3 | 3.3 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccc(F)cc1 | 10.1021/jm800841w | ||
| CHEMBL469749 | 178288 | 0 | None | - | 1 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 393 | 8 | 4 | 3 | 3.3 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccc(F)cc1 | 10.1021/jm800841w | ||
| 56954125 | 81645 | 0 | None | -5 | 2 | Guinea pig | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 676 | 23 | 6 | 8 | 5.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165634 | 81645 | 0 | None | -5 | 2 | Guinea pig | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 676 | 23 | 6 | 8 | 5.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 1204 | 1893 | 114 | None | -61 | 11 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 1247 | 1893 | 114 | None | -61 | 11 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 1375 | 1893 | 114 | None | -61 | 11 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 774 | 1893 | 114 | None | -61 | 11 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| CHEMBL90 | 1893 | 114 | None | -61 | 11 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| DB05381 | 1893 | 114 | None | -61 | 11 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 25149427 | 185369 | 0 | None | - | 1 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 313 | 8 | 4 | 3 | 2.0 | N=C(NCCCc1c[nH]cn1)NC(=O)CCCc1ccccc1 | 10.1021/jm800841w | ||
| CHEMBL486962 | 185369 | 0 | None | - | 1 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 313 | 8 | 4 | 3 | 2.0 | N=C(NCCCc1c[nH]cn1)NC(=O)CCCc1ccccc1 | 10.1021/jm800841w | ||
| 56954320 | 81653 | 0 | None | -17 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 472 | 15 | 6 | 4 | 0.9 | N/C(=N\C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| CHEMBL2165641 | 81653 | 0 | None | -17 | 4 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 472 | 15 | 6 | 4 | 0.9 | N/C(=N\C(=O)CCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| 168278471 | 192236 | 0 | None | 2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5183205 | 192236 | 0 | None | 2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221757 | 192236 | 0 | None | 2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5087637 | 213769 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095891 | 213769 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 46887080 | 8445 | 0 | None | -1 | 2 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@@H](C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1094452 | 8445 | 0 | None | -1 | 2 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@@H](C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| 56953887 | 81659 | 0 | None | -22 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 536 | 13 | 6 | 8 | 1.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165647 | 81659 | 0 | None | -22 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 536 | 13 | 6 | 8 | 1.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 56954229 | 81649 | 0 | None | 1 | 2 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 648 | 23 | 6 | 8 | 4.7 | N/C(=N\C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| CHEMBL2165638 | 81649 | 0 | None | 1 | 2 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 648 | 23 | 6 | 8 | 4.7 | N/C(=N\C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| 168278471 | 192236 | 0 | None | 2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5183205 | 192236 | 0 | None | 2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221757 | 192236 | 0 | None | 2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168290815 | 192361 | 0 | None | -23 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5200771 | 192361 | 0 | None | -23 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222529 | 192361 | 0 | None | -23 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 56954322 | 81654 | 0 | None | -7 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 500 | 17 | 6 | 4 | 1.7 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| CHEMBL2165642 | 81654 | 0 | None | -7 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 500 | 17 | 6 | 4 | 1.7 | N/C(=N\C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| 46887043 | 8660 | 0 | None | -1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 319 | 7 | 4 | 3 | 2.6 | C[C@@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1096431 | 8660 | 0 | None | -1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 319 | 7 | 4 | 3 | 2.6 | C[C@@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| 168281746 | 192270 | 0 | None | 9 | 3 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5184911 | 192270 | 0 | None | 9 | 3 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221974 | 192270 | 0 | None | 9 | 3 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| 164611757 | 184310 | 0 | None | 3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 402 | 8 | 4 | 4 | 2.8 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4853107 | 184310 | 0 | None | 3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 402 | 8 | 4 | 4 | 2.8 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 25149433 | 185384 | 2 | None | - | 1 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 305 | 7 | 4 | 3 | 2.3 | N=C(NCCCc1c[nH]cn1)NC(=O)CCC1CCCCC1 | 10.1021/jm800841w | ||
| CHEMBL486974 | 185384 | 2 | None | - | 1 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 305 | 7 | 4 | 3 | 2.3 | N=C(NCCCc1c[nH]cn1)NC(=O)CCC1CCCCC1 | 10.1021/jm800841w | ||
| 168268853 | 192173 | 0 | None | -1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5180504 | 192173 | 0 | None | -1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221353 | 192173 | 0 | None | -1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 126688 | 400 | 28 | None | -1 | 3 | Guinea pig | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1021/jm201128q | ||
| 4025 | 400 | 28 | None | -1 | 3 | Guinea pig | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1021/jm201128q | ||
| CHEMBL293762 | 400 | 28 | None | -1 | 3 | Guinea pig | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1021/jm201128q | ||
| CHEMBL5083588 | 213748 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095633 | 213748 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 25149712 | 178398 | 0 | None | -25 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 299 | 7 | 4 | 3 | 1.6 | N=C(NCCCc1c[nH]cn1)NC(=O)CCc1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL470790 | 178398 | 0 | None | -25 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 299 | 7 | 4 | 3 | 1.6 | N=C(NCCCc1c[nH]cn1)NC(=O)CCc1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 25149335 | 183633 | 0 | None | -26 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL483406 | 183633 | 0 | None | -26 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL5093461 | 213767 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095884 | 213767 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| 164626153 | 185786 | 0 | None | -2 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccc(F)c1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4875600 | 185786 | 0 | None | -2 | 4 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccc(F)c1 | 10.1016/j.ejmech.2021.113190 | ||
| 1201 | 3889 | 1 | None | - | 1 | Guinea pig | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 361 | 7 | 3 | 3 | 2.6 | O=C(CC(c1ccccc1)c1ccccc1)NC(=NCCc1cnc[nH]1)N | 10.1021/jm800841w | ||
| 25150700 | 3889 | 1 | None | - | 1 | Guinea pig | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 361 | 7 | 3 | 3 | 2.6 | O=C(CC(c1ccccc1)c1ccccc1)NC(=NCCc1cnc[nH]1)N | 10.1021/jm800841w | ||
| CHEMBL499301 | 3889 | 1 | None | - | 1 | Guinea pig | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 361 | 7 | 3 | 3 | 2.6 | O=C(CC(c1ccccc1)c1ccccc1)NC(=NCCc1cnc[nH]1)N | 10.1021/jm800841w | ||
| 44482299 | 5645 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 328 | 8 | 4 | 2 | 1.6 | NC(=O)/N=C(/NCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| CHEMBL1078359 | 5645 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 328 | 8 | 4 | 2 | 1.6 | NC(=O)/N=C(/NCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| 25149333 | 172086 | 0 | None | - | 1 | Guinea pig | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 313 | 7 | 4 | 3 | 2.2 | CC(CCNC(=N)NC(=O)CCc1c[nH]cn1)c1ccccc1 | 10.1021/jm800841w | ||
| CHEMBL449828 | 172086 | 0 | None | - | 1 | Guinea pig | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 313 | 7 | 4 | 3 | 2.2 | CC(CCNC(=N)NC(=O)CCc1c[nH]cn1)c1ccccc1 | 10.1021/jm800841w | ||
| 1204 | 1893 | 114 | None | -61 | 11 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
| 1247 | 1893 | 114 | None | -61 | 11 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
| 1375 | 1893 | 114 | None | -61 | 11 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
| 774 | 1893 | 114 | None | -61 | 11 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
| CHEMBL90 | 1893 | 114 | None | -61 | 11 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
| DB05381 | 1893 | 114 | None | -61 | 11 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm0603318 | ||
| 164610289 | 184540 | 0 | None | - | 1 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 438 | 7 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4856602 | 184540 | 0 | None | - | 1 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 438 | 7 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 11956130 | 185373 | 0 | None | - | 1 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 319 | 7 | 4 | 3 | 2.6 | CC(CC(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1021/jm800841w | ||
| CHEMBL486965 | 185373 | 0 | None | - | 1 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 319 | 7 | 4 | 3 | 2.6 | CC(CC(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1021/jm800841w | ||
| CHEMBL5076746 | 213739 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(N)(=O)=O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095519 | 213739 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(N)(=O)=O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5088914 | 213776 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095949 | 213776 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 46887079 | 8409 | 0 | None | -2 | 4 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)CC(C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1094142 | 8409 | 0 | None | -2 | 4 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)CC(C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL5085542 | 213189 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | ||||
| 1204 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 1247 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 1375 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 774 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL90 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| DB05381 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 1204 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1247 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1375 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 774 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL90 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| DB05381 | 1893 | 114 | None | -14 | 11 | Guinea pig | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5092102 | 213562 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1016/j.bmcl.2021.128388 | ||||
| 46887079 | 8409 | 0 | None | -2 | 4 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)CC(C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1094142 | 8409 | 0 | None | -2 | 4 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)CC(C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| 164609729 | 184505 | 0 | None | 2 | 4 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 360 | 6 | 4 | 4 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4856059 | 184505 | 0 | None | 2 | 4 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 360 | 6 | 4 | 4 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL5094083 | 213682 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | C=C(/N=C(\C)NCCCc1nnc(N)s1)NCCCCCCCCN | 10.1016/j.bmcl.2021.128388 | ||||
| 56954515 | 81639 | 0 | None | -14 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 546 | 17 | 6 | 6 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| CHEMBL2165628 | 81639 | 0 | None | -14 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 546 | 17 | 6 | 6 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm201128q | ||
| 46887043 | 8660 | 0 | None | -3 | 5 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 319 | 7 | 4 | 3 | 2.6 | C[C@@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1096431 | 8660 | 0 | None | -3 | 5 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 319 | 7 | 4 | 3 | 2.6 | C[C@@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| 46887078 | 8901 | 0 | None | 1 | 2 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@H](C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1098442 | 8901 | 0 | None | 1 | 2 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 359 | 7 | 4 | 5 | 2.8 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@H](C)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| 56954000 | 81643 | 0 | None | -10 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 592 | 17 | 6 | 8 | 2.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165632 | 81643 | 0 | None | -10 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 592 | 17 | 6 | 8 | 2.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL5078202 | 213750 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095695 | 213750 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1 | 10.1016/j.bmcl.2021.128388 | ||||
| 164621681 | 184988 | 0 | None | - | 1 | Guinea pig | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 444 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4863523 | 184988 | 0 | None | - | 1 | Guinea pig | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 444 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 44480707 | 5671 | 0 | None | -5 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 328 | 8 | 3 | 4 | 2.2 | N#C/N=C(/NCCCc1c[nH]cn1)NCCSc1ccccc1 | 10.1021/jm900526h | ||
| CHEMBL1078529 | 5671 | 0 | None | -5 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 328 | 8 | 3 | 4 | 2.2 | N#C/N=C(/NCCCc1c[nH]cn1)NCCSc1ccccc1 | 10.1021/jm900526h | ||
| 46887041 | 8657 | 0 | None | -3 | 5 | Guinea pig | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 313 | 7 | 4 | 3 | 2.2 | C[C@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1096428 | 8657 | 0 | None | -3 | 5 | Guinea pig | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 313 | 7 | 4 | 3 | 2.2 | C[C@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| 168281746 | 192270 | 0 | None | -9 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5184911 | 192270 | 0 | None | -9 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221974 | 192270 | 0 | None | -9 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| 155525816 | 170477 | 0 | None | 7 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 257 | 1 | 1 | 3 | 3.3 | CC1CCCc2c(-c3ccc(F)cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4456972 | 170477 | 0 | None | 7 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 257 | 1 | 1 | 3 | 3.3 | CC1CCCc2c(-c3ccc(F)cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL5077939 | 213755 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095769 | 213755 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 42625221 | 188987 | 0 | None | -10 | 3 | Guinea pig | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 338 | 7 | 4 | 2 | 1.9 | N/C(=N\C(=O)CCc1c[nH]c2ccccc12)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL514641 | 188987 | 0 | None | -10 | 3 | Guinea pig | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 338 | 7 | 4 | 2 | 1.9 | N/C(=N\C(=O)CCc1c[nH]c2ccccc12)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 168292954 | 192385 | 0 | None | 7 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5202592 | 192385 | 0 | None | 7 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222660 | 192385 | 0 | None | 7 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 155553964 | 174874 | 0 | None | 11 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 273 | 1 | 1 | 3 | 3.8 | CC1CCCc2c(-c3ccc(Cl)cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4576986 | 174874 | 0 | None | 11 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 273 | 1 | 1 | 3 | 3.8 | CC1CCCc2c(-c3ccc(Cl)cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| 25149242 | 178585 | 0 | None | - | 1 | Guinea pig | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 531 | 8 | 4 | 3 | 4.7 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccc(Br)cc1)c1ccc(Br)cc1 | 10.1021/jm800841w | ||
| CHEMBL472271 | 178585 | 0 | None | - | 1 | Guinea pig | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 531 | 8 | 4 | 3 | 4.7 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccc(Br)cc1)c1ccc(Br)cc1 | 10.1021/jm800841w | ||
| 46830167 | 8658 | 0 | None | -42 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 313 | 7 | 4 | 3 | 2.2 | C[C@@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1096429 | 8658 | 0 | None | -42 | 5 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 313 | 7 | 4 | 3 | 2.2 | C[C@@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| 25149521 | 178464 | 0 | None | -9 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 375 | 8 | 4 | 3 | 3.2 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL471413 | 178464 | 0 | None | -9 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 375 | 8 | 4 | 3 | 3.2 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 56954127 | 81646 | 0 | None | - | 1 | Guinea pig | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 760 | 29 | 6 | 8 | 7.6 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| CHEMBL2165635 | 81646 | 0 | None | - | 1 | Guinea pig | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 760 | 29 | 6 | 8 | 7.6 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)CCCCCCCCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/jm201128q | ||
| 168281746 | 192270 | 0 | None | -9 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5184911 | 192270 | 0 | None | -9 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221974 | 192270 | 0 | None | -9 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| 155525816 | 170477 | 0 | None | 7 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 257 | 1 | 1 | 3 | 3.3 | CC1CCCc2c(-c3ccc(F)cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4456972 | 170477 | 0 | None | 7 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 257 | 1 | 1 | 3 | 3.3 | CC1CCCc2c(-c3ccc(F)cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| 155553964 | 174874 | 0 | None | 11 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 273 | 1 | 1 | 3 | 3.8 | CC1CCCc2c(-c3ccc(Cl)cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4576986 | 174874 | 0 | None | 11 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 273 | 1 | 1 | 3 | 3.8 | CC1CCCc2c(-c3ccc(Cl)cc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| 42625384 | 169195 | 0 | None | -223 | 5 | Guinea pig | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 209 | 4 | 3 | 2 | -0.2 | CC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL443896 | 169195 | 0 | None | -223 | 5 | Guinea pig | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 209 | 4 | 3 | 2 | -0.2 | CC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 155565842 | 175033 | 0 | None | -5 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 317 | 1 | 1 | 3 | 3.9 | CC1CCCc2c(-c3cccc(Br)c3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4580450 | 175033 | 0 | None | -5 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 317 | 1 | 1 | 3 | 3.9 | CC1CCCc2c(-c3cccc(Br)c3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| 164614549 | 184350 | 0 | None | -3 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 340 | 9 | 4 | 4 | 2.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4853668 | 184350 | 0 | None | -3 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 340 | 9 | 4 | 4 | 2.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| 59868 | 93707 | 56 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@@H]1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL249420 | 93707 | 56 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@@H]1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| 155532722 | 171209 | 0 | None | 3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 253 | 1 | 1 | 3 | 3.5 | Cc1ccc(-c2nc(N)nc3c2CCCC3C)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4467878 | 171209 | 0 | None | 3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 253 | 1 | 1 | 3 | 3.5 | Cc1ccc(-c2nc(N)nc3c2CCCC3C)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
| 164616851 | 184357 | 0 | None | 1 | 4 | Guinea pig | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 376 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4853772 | 184357 | 0 | None | 1 | 4 | Guinea pig | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 376 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL5090859 | 213499 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | ||||
| 155532722 | 171209 | 0 | None | 3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 253 | 1 | 1 | 3 | 3.5 | Cc1ccc(-c2nc(N)nc3c2CCCC3C)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4467878 | 171209 | 0 | None | 3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 253 | 1 | 1 | 3 | 3.5 | Cc1ccc(-c2nc(N)nc3c2CCCC3C)cc1 | 10.1021/acs.jmedchem.9b00241 | ||
| 44481758 | 5623 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 324 | 9 | 3 | 3 | 2.4 | N#C/N=C(\NCCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| CHEMBL1078212 | 5623 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 324 | 9 | 3 | 3 | 2.4 | N#C/N=C(\NCCCCc1ccccc1)NCCCc1c[nH]cn1 | 10.1021/jm900526h | ||
| 46887079 | 8409 | 0 | None | 2 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)CC(C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1094142 | 8409 | 0 | None | 2 | 4 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)CC(C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| 164609493 | 183844 | 0 | None | 10 | 4 | Guinea pig | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 350 | 6 | 4 | 5 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccco1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4846380 | 183844 | 0 | None | 10 | 4 | Guinea pig | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 350 | 6 | 4 | 5 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccco1 | 10.1016/j.ejmech.2021.113190 | ||
| 1221 | 472 | 9 | None | - | 1 | Guinea pig | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 380 | 9 | 3 | 3 | 3.0 | NC(=NCCCc1[nH]cnc1)NCCC(c1ccccn1)c1ccc(cc1)F | 10.1021/jm800841w | ||
| 65895 | 472 | 9 | None | - | 1 | Guinea pig | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 380 | 9 | 3 | 3 | 3.0 | NC(=NCCCc1[nH]cnc1)NCCC(c1ccccn1)c1ccc(cc1)F | 10.1021/jm800841w | ||
| CHEMBL293802 | 472 | 9 | None | - | 1 | Guinea pig | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 380 | 9 | 3 | 3 | 3.0 | NC(=NCCCc1[nH]cnc1)NCCC(c1ccccn1)c1ccc(cc1)F | 10.1021/jm800841w | ||
| 44414337 | 79714 | 0 | None | 1 | 2 | Guinea pig | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 945 | 24 | 3 | 9 | 8.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCC/N=C(\NC#N)NCCCOc3cccc(CN4CCCCC4)c3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2006.05.039 | ||
| CHEMBL213357 | 79714 | 0 | None | 1 | 2 | Guinea pig | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 945 | 24 | 3 | 9 | 8.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCC/N=C(\NC#N)NCCCOc3cccc(CN4CCCCC4)c3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2006.05.039 | ||
| 46887115 | 8411 | 0 | None | -1 | 4 | Guinea pig | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@H](C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1094144 | 8411 | 0 | None | -1 | 4 | Guinea pig | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 365 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCNC(=N)NC(=O)C[C@H](C)C1CCCCC1 | 10.1016/j.bmcl.2010.03.082 | ||
| 46887041 | 8657 | 0 | None | -3 | 5 | Guinea pig | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 313 | 7 | 4 | 3 | 2.2 | C[C@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| CHEMBL1096428 | 8657 | 0 | None | -3 | 5 | Guinea pig | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 313 | 7 | 4 | 3 | 2.2 | C[C@H](CC(=O)NC(=N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1016/j.bmcl.2010.03.082 | ||
| 56954229 | 81649 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 648 | 23 | 6 | 8 | 4.7 | N/C(=N\C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| CHEMBL2165638 | 81649 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 648 | 23 | 6 | 8 | 4.7 | N/C(=N\C(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1 | 10.1021/jm201128q | ||
| CHEMBL5094083 | 213682 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | C=C(/N=C(\C)NCCCc1nnc(N)s1)NCCCCCCCCN | 10.1016/j.bmcl.2021.128388 | ||||
| 168268853 | 192173 | 0 | None | 1 | 2 | Guinea pig | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5180504 | 192173 | 0 | None | 1 | 2 | Guinea pig | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221353 | 192173 | 0 | None | 1 | 2 | Guinea pig | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 155559319 | 174281 | 0 | None | 13 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 239 | 1 | 1 | 3 | 3.2 | CC1CCCc2c(-c3ccccc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| CHEMBL4563363 | 174281 | 0 | None | 13 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 239 | 1 | 1 | 3 | 3.2 | CC1CCCc2c(-c3ccccc3)nc(N)nc21 | 10.1021/acs.jmedchem.9b00241 | ||
| 1198 | 3887 | 1 | None | - | 1 | Guinea pig | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 401 | 8 | 4 | 4 | 2.0 | O=C(CC(c1ccc(c(c1)F)F)c1ncc[nH]1)NC(=NCCCc1cnc[nH]1)N | 10.1021/jm800841w | ||
| 25149704 | 3887 | 1 | None | - | 1 | Guinea pig | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 401 | 8 | 4 | 4 | 2.0 | O=C(CC(c1ccc(c(c1)F)F)c1ncc[nH]1)NC(=NCCCc1cnc[nH]1)N | 10.1021/jm800841w | ||
| CHEMBL470563 | 3887 | 1 | None | - | 1 | Guinea pig | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 401 | 8 | 4 | 4 | 2.0 | O=C(CC(c1ccc(c(c1)F)F)c1ncc[nH]1)NC(=NCCCc1cnc[nH]1)N | 10.1021/jm800841w | ||
| 1204 | 1893 | 114 | None | -61 | 11 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 1247 | 1893 | 114 | None | -61 | 11 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 1375 | 1893 | 114 | None | -61 | 11 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 774 | 1893 | 114 | None | -61 | 11 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL90 | 1893 | 114 | None | -61 | 11 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| DB05381 | 1893 | 114 | None | -61 | 11 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 10446940 | 13764 | 6 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 290 | 4 | 3 | 5 | 0.7 | CC(=O)NCc1cccc(-c2csc(N=C(N)N)n2)n1 | 10.1021/jm00027a007 | ||
| CHEMBL1196182 | 13764 | 6 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 290 | 4 | 3 | 5 | 0.7 | CC(=O)NCc1cccc(-c2csc(N=C(N)N)n2)n1 | 10.1021/jm00027a007 | ||
| CHEMBL556048 | 13764 | 6 | None | - | 1 | Guinea pig | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 290 | 4 | 3 | 5 | 0.7 | CC(=O)NCc1cccc(-c2csc(N=C(N)N)n2)n1 | 10.1021/jm00027a007 | ||
| 3158 | 55959 | 21 | None | -2754 | 21 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1021/jm9910369 | ||
| CHEMBL1628227 | 55959 | 21 | None | -2754 | 21 | Guinea pig | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | 10.1021/jm9910369 | ||
| 1427 | 1974 | 50 | None | -2454 | 11 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1021/jm9910369 | ||
| 357 | 1974 | 50 | None | -2454 | 11 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1021/jm9910369 | ||
| 3696 | 1974 | 50 | None | -2454 | 11 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1021/jm9910369 | ||
| CHEMBL11 | 1974 | 50 | None | -2454 | 11 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1021/jm9910369 | ||
| DB00458 | 1974 | 50 | None | -2454 | 11 | Guinea pig | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 10.1021/jm9910369 | ||
| 13048194 | 26754 | 0 | None | - | 1 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 270 | 0 | 0 | 3 | 3.1 | CN1CCN2c3ccccc3Cc3ccsc3C2C1 | 10.1021/jm00362a006 | ||
| CHEMBL13645 | 26754 | 0 | None | - | 1 | Guinea pig | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 270 | 0 | 0 | 3 | 3.1 | CN1CCN2c3ccccc3Cc3ccsc3C2C1 | 10.1021/jm00362a006 | ||
| 1129 | 1584 | 89 | None | -7 | 3 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1021/jm00027a007 | ||
| 3325 | 1584 | 89 | None | -7 | 3 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1021/jm00027a007 | ||
| 5353622 | 1584 | 89 | None | -7 | 3 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1021/jm00027a007 | ||
| 5702160 | 1584 | 89 | None | -7 | 3 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1021/jm00027a007 | ||
| 7074 | 1584 | 89 | None | -7 | 3 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1021/jm00027a007 | ||
| CHEMBL902 | 1584 | 89 | None | -7 | 3 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1021/jm00027a007 | ||
| DB00927 | 1584 | 89 | None | -7 | 3 | Guinea pig | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1021/jm00027a007 | ||
| 5039 | 62838 | 13 | None | 2 | 3 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1021/jm00027a007 | ||
| CHEMBL1790041 | 62838 | 13 | None | 2 | 3 | Guinea pig | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1021/jm00027a007 | ||
| 135 | 2486 | 38 | None | -794 | 31 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00362a006 | ||
| 1796 | 2486 | 38 | None | -794 | 31 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00362a006 | ||
| 4184 | 2486 | 38 | None | -794 | 31 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00362a006 | ||
| CHEMBL6437 | 2486 | 38 | None | -794 | 31 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00362a006 | ||
| DB06148 | 2486 | 38 | None | -794 | 31 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm00362a006 | ||
| 2995 | 202690 | 49 | None | -1412 | 7 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1021/jm9910369 | ||
| CHEMBL1696 | 202690 | 49 | None | -1412 | 7 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1021/jm9910369 | ||
| CHEMBL72 | 202690 | 49 | None | -1412 | 7 | Guinea pig | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | 10.1021/jm9910369 | ||
| 180 | 397 | 50 | None | -1412 | 27 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1021/jm9910369 | ||
| 200 | 397 | 50 | None | -1412 | 27 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1021/jm9910369 | ||
| 2160 | 397 | 50 | None | -1412 | 27 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1021/jm9910369 | ||
| CHEMBL629 | 397 | 50 | None | -1412 | 27 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1021/jm9910369 | ||
| DB00321 | 397 | 50 | None | -1412 | 27 | Guinea pig | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1021/jm9910369 | ||
| 4543 | 169972 | 36 | None | -9549 | 26 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | 10.1021/jm9910369 | ||
| CHEMBL1201156 | 169972 | 36 | None | -9549 | 26 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | 10.1021/jm9910369 | ||
| CHEMBL445 | 169972 | 36 | None | -9549 | 26 | Guinea pig | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | 10.1021/jm9910369 | ||
| 2801 | 161313 | 56 | None | -524 | 25 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | 10.1021/jm9910369 | ||
| CHEMBL1200710 | 161313 | 56 | None | -524 | 25 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | 10.1021/jm9910369 | ||
| CHEMBL415 | 161313 | 56 | None | -524 | 25 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | 10.1021/jm9910369 | ||
| 13048195 | 26744 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 270 | 0 | 0 | 3 | 3.1 | CN1CCN2c3ccccc3Cc3sccc3C2C1 | 10.1021/jm00362a006 | ||
| CHEMBL13644 | 26744 | 0 | None | - | 1 | Guinea pig | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 270 | 0 | 0 | 3 | 3.1 | CN1CCN2c3ccccc3Cc3sccc3C2C1 | 10.1021/jm00362a006 | ||
| 135 | 2486 | 38 | None | -794 | 31 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm9910369 | ||
| 1796 | 2486 | 38 | None | -794 | 31 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm9910369 | ||
| 4184 | 2486 | 38 | None | -794 | 31 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm9910369 | ||
| CHEMBL6437 | 2486 | 38 | None | -794 | 31 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm9910369 | ||
| DB06148 | 2486 | 38 | None | -794 | 31 | Guinea pig | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | 10.1021/jm9910369 | ||
| 10416230 | 174697 | 0 | None | - | 0 | Guinea pig | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 605 | 18 | 3 | 10 | 5.4 | N#CN/C(=N\CCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/s0960-894x(03)00235-x | ||
| CHEMBL45728 | 174697 | 0 | None | - | 0 | Guinea pig | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 605 | 18 | 3 | 10 | 5.4 | N#CN/C(=N\CCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/s0960-894x(03)00235-x | ||
| 44281005 | 116218 | 0 | None | - | 3 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 787 | 17 | 4 | 8 | 6.4 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL33743 | 116218 | 0 | None | - | 3 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 787 | 17 | 4 | 8 | 6.4 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL432671 | 167521 | 0 | None | - | 3 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 784 | 15 | 7 | 12 | 3.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCNC(=O)CC(=O)NCCSCc3csc(C=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44280028 | 98707 | 0 | None | - | 3 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 768 | 17 | 6 | 9 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL281318 | 98707 | 0 | None | - | 3 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 768 | 17 | 6 | 9 | 4.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 9896825 | 102491 | 0 | None | - | 3 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 742 | 14 | 6 | 10 | 2.9 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL30656 | 102491 | 0 | None | - | 3 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 742 | 14 | 6 | 10 | 2.9 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 1231 | 922 | 112 | None | -11 | 4 | Guinea pig | 6.0 | pKd | = | 6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/s0960-894x(03)00235-x | ||
| 2756 | 922 | 112 | None | -11 | 4 | Guinea pig | 6.0 | pKd | = | 6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/s0960-894x(03)00235-x | ||
| 645 | 922 | 112 | None | -11 | 4 | Guinea pig | 6.0 | pKd | = | 6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/s0960-894x(03)00235-x | ||
| CHEMBL30 | 922 | 112 | None | -11 | 4 | Guinea pig | 6.0 | pKd | = | 6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/s0960-894x(03)00235-x | ||
| DB00501 | 922 | 112 | None | -11 | 4 | Guinea pig | 6.0 | pKd | = | 6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/s0960-894x(03)00235-x | ||
| 11413171 | 11989 | 0 | None | - | 1 | Guinea pig | 5.0 | pKd | = | 5 | Functional | ChEMBL | 210 | 9 | 1 | 2 | 2.9 | CCCCCCOCCCc1c[nH]cn1 | 10.1021/jm031065q | ||
| CHEMBL1184057 | 11989 | 0 | None | - | 1 | Guinea pig | 5.0 | pKd | = | 5 | Functional | ChEMBL | 210 | 9 | 1 | 2 | 2.9 | CCCCCCOCCCc1c[nH]cn1 | 10.1021/jm031065q | ||
| CHEMBL330688 | 11989 | 0 | None | - | 1 | Guinea pig | 5.0 | pKd | = | 5 | Functional | ChEMBL | 210 | 9 | 1 | 2 | 2.9 | CCCCCCOCCCc1c[nH]cn1 | 10.1021/jm031065q | ||
| 44292730 | 182785 | 0 | None | - | 0 | Guinea pig | 5.0 | pKd | = | 5 | Functional | ChEMBL | 746 | 15 | 5 | 9 | 5.2 | N#CN/C(=N\CCCCNC(=O)c1ccc(C(=O)O)c(C2c3ccc(O)cc3OC3=CC(=O)C=CC32)c1)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/s0960-894x(03)00235-x | ||
| CHEMBL47979 | 182785 | 0 | None | - | 0 | Guinea pig | 5.0 | pKd | = | 5 | Functional | ChEMBL | 746 | 15 | 5 | 9 | 5.2 | N#CN/C(=N\CCCCNC(=O)c1ccc(C(=O)O)c(C2c3ccc(O)cc3OC3=CC(=O)C=CC32)c1)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/s0960-894x(03)00235-x | ||
| 13499385 | 13699 | 0 | None | - | 0 | Guinea pig | 4.0 | pKd | = | 4 | Functional | ChEMBL | 195 | 5 | 3 | 2 | 0.3 | C/N=C(\N)NCCCCc1c[nH]cn1 | 10.1021/jm00148a007 | ||
| CHEMBL1195762 | 13699 | 0 | None | - | 0 | Guinea pig | 4.0 | pKd | = | 4 | Functional | ChEMBL | 195 | 5 | 3 | 2 | 0.3 | C/N=C(\N)NCCCCc1c[nH]cn1 | 10.1021/jm00148a007 | ||
| CHEMBL555309 | 13699 | 0 | None | - | 0 | Guinea pig | 4.0 | pKd | = | 4 | Functional | ChEMBL | 195 | 5 | 3 | 2 | 0.3 | C/N=C(\N)NCCCCc1c[nH]cn1 | 10.1021/jm00148a007 | ||
| 15179485 | 186162 | 0 | None | - | 0 | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 358 | 9 | 3 | 5 | 1.4 | N#CN/C(=N\CCN)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/s0960-894x(03)00235-x | ||
| CHEMBL48885 | 186162 | 0 | None | - | 0 | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 358 | 9 | 3 | 5 | 1.4 | N#CN/C(=N\CCN)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/s0960-894x(03)00235-x | ||
| 13499391 | 103300 | 0 | None | - | 0 | Guinea pig | 5.0 | pKd | = | 5.0 | Functional | ChEMBL | 230 | 5 | 2 | 4 | 0.9 | C/N=C(\N)NCCSCc1nccs1 | 10.1021/jm00148a007 | ||
| CHEMBL1744353 | 103300 | 0 | None | - | 0 | Guinea pig | 5.0 | pKd | = | 5.0 | Functional | ChEMBL | 230 | 5 | 2 | 4 | 0.9 | C/N=C(\N)NCCSCc1nccs1 | 10.1021/jm00148a007 | ||
| CHEMBL30893 | 103300 | 0 | None | - | 0 | Guinea pig | 5.0 | pKd | = | 5.0 | Functional | ChEMBL | 230 | 5 | 2 | 4 | 0.9 | C/N=C(\N)NCCSCc1nccs1 | 10.1021/jm00148a007 | ||
| 134179 | 11129 | 13 | None | - | 0 | Guinea pig | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 242 | 3 | 2 | 2 | 3.3 | CC(C)(C)/N=C/Nc1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| CHEMBL1178963 | 11129 | 13 | None | - | 0 | Guinea pig | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 242 | 3 | 2 | 2 | 3.3 | CC(C)(C)/N=C/Nc1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| CHEMBL51541 | 11129 | 13 | None | - | 0 | Guinea pig | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 242 | 3 | 2 | 2 | 3.3 | CC(C)(C)/N=C/Nc1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| 20449709 | 12135 | 0 | None | - | 0 | Guinea pig | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 242 | 6 | 2 | 2 | 3.1 | CCCCN/C=N/c1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| CHEMBL1184647 | 12135 | 0 | None | - | 0 | Guinea pig | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 242 | 6 | 2 | 2 | 3.1 | CCCCN/C=N/c1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| CHEMBL362059 | 12135 | 0 | None | - | 0 | Guinea pig | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 242 | 6 | 2 | 2 | 3.1 | CCCCN/C=N/c1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| 71263 | 102665 | 16 | None | - | 0 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 228 | 4 | 2 | 2 | 2.9 | CC(C)/N=C/Nc1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00384a036 | ||
| CHEMBL308005 | 102665 | 16 | None | - | 0 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 228 | 4 | 2 | 2 | 2.9 | CC(C)/N=C/Nc1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00384a036 | ||
| CHEMBL50020 | 102665 | 16 | None | - | 0 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 228 | 4 | 2 | 2 | 2.9 | CC(C)/N=C/Nc1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00384a036 | ||
| 13499361 | 13466 | 0 | None | - | 0 | Guinea pig | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 335 | 10 | 4 | 4 | 1.6 | Cc1[nH]cnc1CSCC/N=C(\N)NCCCCc1c[nH]cn1 | 10.1021/jm00148a007 | ||
| CHEMBL1194112 | 13466 | 0 | None | - | 0 | Guinea pig | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 335 | 10 | 4 | 4 | 1.6 | Cc1[nH]cnc1CSCC/N=C(\N)NCCCCc1c[nH]cn1 | 10.1021/jm00148a007 | ||
| CHEMBL545625 | 13466 | 0 | None | - | 0 | Guinea pig | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 335 | 10 | 4 | 4 | 1.6 | Cc1[nH]cnc1CSCC/N=C(\N)NCCCCc1c[nH]cn1 | 10.1021/jm00148a007 | ||
| 13499407 | 103654 | 0 | None | - | 0 | Guinea pig | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 338 | 9 | 4 | 4 | 2.2 | Cc1[nH]cnc1CSCC/N=C(\S)NCCCc1c[nH]cn1 | 10.1021/jm00148a007 | ||
| CHEMBL30946 | 103654 | 0 | None | - | 0 | Guinea pig | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 338 | 9 | 4 | 4 | 2.2 | Cc1[nH]cnc1CSCC/N=C(\S)NCCCc1c[nH]cn1 | 10.1021/jm00148a007 | ||
| 134176 | 11127 | 11 | None | - | 0 | Guinea pig | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 200 | 3 | 2 | 2 | 2.1 | C/N=C\Nc1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| CHEMBL1178945 | 11127 | 11 | None | - | 0 | Guinea pig | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 200 | 3 | 2 | 2 | 2.1 | C/N=C\Nc1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| CHEMBL50960 | 11127 | 11 | None | - | 0 | Guinea pig | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 200 | 3 | 2 | 2 | 2.1 | C/N=C\Nc1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| 44281078 | 99269 | 0 | None | - | 3 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 773 | 16 | 4 | 8 | 5.9 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL284975 | 99269 | 0 | None | - | 3 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 773 | 16 | 4 | 8 | 5.9 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44280714 | 99558 | 0 | None | - | 3 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 726 | 14 | 6 | 9 | 3.2 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL286908 | 99558 | 0 | None | - | 3 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 726 | 14 | 6 | 9 | 3.2 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 13499387 | 12923 | 0 | None | - | 0 | Guinea pig | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | 181 | 4 | 3 | 2 | -0.1 | C/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm00148a007 | ||
| CHEMBL1190014 | 12923 | 0 | None | - | 0 | Guinea pig | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | 181 | 4 | 3 | 2 | -0.1 | C/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm00148a007 | ||
| CHEMBL540005 | 12923 | 0 | None | - | 0 | Guinea pig | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | 181 | 4 | 3 | 2 | -0.1 | C/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm00148a007 | ||
| 10403687 | 2465 | 2 | None | - | 2 | Guinea pig | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | 319 | 8 | 2 | 2 | 3.9 | CNCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
| 1205 | 2465 | 2 | None | - | 2 | Guinea pig | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | 319 | 8 | 2 | 2 | 3.9 | CNCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
| CHEMBL275035 | 2465 | 2 | None | - | 2 | Guinea pig | 4.9 | pKd | = | 4.9 | Functional | ChEMBL | 319 | 8 | 2 | 2 | 3.9 | CNCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
| 20449717 | 11128 | 0 | None | - | 0 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 242 | 5 | 2 | 2 | 3.1 | CCC(C)N/C=N/c1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| CHEMBL1178962 | 11128 | 0 | None | - | 0 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 242 | 5 | 2 | 2 | 3.1 | CCC(C)N/C=N/c1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| CHEMBL51540 | 11128 | 0 | None | - | 0 | Guinea pig | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 242 | 5 | 2 | 2 | 3.1 | CCC(C)N/C=N/c1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| 44281291 | 99351 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 433 | 11 | 2 | 5 | 3.9 | CC(C)(C)OC(=O)NCCCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL285556 | 99351 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 433 | 11 | 2 | 5 | 3.9 | CC(C)(C)OC(=O)NCCCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| 13637167 | 9236 | 21 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 143 | 2 | 2 | 4 | 0.2 | NCCc1cnc(N)s1 | 10.1021/jm00095a021 | ||
| CHEMBL111215 | 9236 | 21 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 143 | 2 | 2 | 4 | 0.2 | NCCc1cnc(N)s1 | 10.1021/jm00095a021 | ||
| 3037827 | 102661 | 5 | None | - | 0 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 629 | 12 | 3 | 6 | 4.4 | N#CN/C(=N\CCNC(=O)c1ccc(N=[N+]=[N-])c(I)c1)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00090a013 | ||
| CHEMBL307952 | 102661 | 5 | None | - | 0 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 629 | 12 | 3 | 6 | 4.4 | N#CN/C(=N\CCNC(=O)c1ccc(N=[N+]=[N-])c(I)c1)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00090a013 | ||
| 44281292 | 114283 | 0 | None | - | 3 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 816 | 17 | 5 | 9 | 5.0 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCNC(=O)CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL33398 | 114283 | 0 | None | - | 3 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 816 | 17 | 5 | 9 | 5.0 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCNC(=O)CC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44280143 | 102385 | 0 | None | - | 0 | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 599 | 12 | 3 | 11 | 2.2 | CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1[N+](=O)[O-].Cc1[nH]cnc1CSCC/N=C(\N)NCCCc1cn(C)cn1 | 10.1021/jm00148a007 | ||
| CHEMBL30578 | 102385 | 0 | None | - | 0 | Guinea pig | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 599 | 12 | 3 | 11 | 2.2 | CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1[N+](=O)[O-].Cc1[nH]cnc1CSCC/N=C(\N)NCCCc1cn(C)cn1 | 10.1021/jm00148a007 | ||
| 11276413 | 11951 | 0 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 236 | 7 | 1 | 2 | 3.3 | c1nc(CCCOCCC2CCCCC2)c[nH]1 | 10.1021/jm031065q | ||
| CHEMBL1183700 | 11951 | 0 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 236 | 7 | 1 | 2 | 3.3 | c1nc(CCCOCCC2CCCCC2)c[nH]1 | 10.1021/jm031065q | ||
| CHEMBL313803 | 11951 | 0 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 236 | 7 | 1 | 2 | 3.3 | c1nc(CCCOCCC2CCCCC2)c[nH]1 | 10.1021/jm031065q | ||
| 10659856 | 11277 | 0 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 273 | 7 | 1 | 4 | 2.8 | CO/N=C(\C)c1ccc(OCCCc2c[nH]cn2)cc1 | 10.1021/jm000971p | ||
| CHEMBL112753 | 11277 | 0 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 273 | 7 | 1 | 4 | 2.8 | CO/N=C(\C)c1ccc(OCCCc2c[nH]cn2)cc1 | 10.1021/jm000971p | ||
| CHEMBL1180075 | 11277 | 0 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 273 | 7 | 1 | 4 | 2.8 | CO/N=C(\C)c1ccc(OCCCc2c[nH]cn2)cc1 | 10.1021/jm000971p | ||
| 15179507 | 202469 | 0 | None | - | 0 | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 729 | 11 | 4 | 6 | 3.7 | N#CN/C(=N\CCNC(=O)c1cc(I)c(N)c(I)c1)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00090a013 | ||
| CHEMBL70746 | 202469 | 0 | None | - | 0 | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 729 | 11 | 4 | 6 | 3.7 | N#CN/C(=N\CCNC(=O)c1cc(I)c(N)c(I)c1)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00090a013 | ||
| 129817 | 13069 | 17 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 227 | 5 | 4 | 3 | 0.7 | CNC(=N)NCCSCc1nc[nH]c1C | 10.1021/jm00148a007 | ||
| CHEMBL1191048 | 13069 | 17 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 227 | 5 | 4 | 3 | 0.7 | CNC(=N)NCCSCc1nc[nH]c1C | 10.1021/jm00148a007 | ||
| CHEMBL542087 | 13069 | 17 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 227 | 5 | 4 | 3 | 0.7 | CNC(=N)NCCSCc1nc[nH]c1C | 10.1021/jm00148a007 | ||
| 5039 | 62838 | 13 | None | 2 | 3 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1016/s0960-894x(03)00235-x | ||
| CHEMBL1790041 | 62838 | 13 | None | 2 | 3 | Guinea pig | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1016/s0960-894x(03)00235-x | ||
| 71263 | 102665 | 16 | None | - | 0 | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 228 | 4 | 2 | 2 | 2.9 | CC(C)/N=C/Nc1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00384a036 | ||
| CHEMBL308005 | 102665 | 16 | None | - | 0 | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 228 | 4 | 2 | 2 | 2.9 | CC(C)/N=C/Nc1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00384a036 | ||
| CHEMBL50020 | 102665 | 16 | None | - | 0 | Guinea pig | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 228 | 4 | 2 | 2 | 2.9 | CC(C)/N=C/Nc1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00384a036 | ||
| 90660592 | 55914 | 0 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 353 | 9 | 4 | 3 | 1.3 | C/[S+]=C(/NCCCc1c[nH]cn1)NCCSCc1[nH]cnc1C | 10.1021/jm00148a007 | ||
| CHEMBL1626721 | 55914 | 0 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 353 | 9 | 4 | 3 | 1.3 | C/[S+]=C(/NCCCc1c[nH]cn1)NCCSCc1[nH]cnc1C | 10.1021/jm00148a007 | ||
| CHEMBL1626961 | 55914 | 0 | None | - | 0 | Guinea pig | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 353 | 9 | 4 | 3 | 1.3 | C/[S+]=C(/NCCCc1c[nH]cn1)NCCSCc1[nH]cnc1C | 10.1021/jm00148a007 | ||
| 1129 | 1584 | 89 | None | -7 | 3 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1016/s0960-894x(03)00235-x | ||
| 3325 | 1584 | 89 | None | -7 | 3 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1016/s0960-894x(03)00235-x | ||
| 5353622 | 1584 | 89 | None | -7 | 3 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1016/s0960-894x(03)00235-x | ||
| 5702160 | 1584 | 89 | None | -7 | 3 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1016/s0960-894x(03)00235-x | ||
| 7074 | 1584 | 89 | None | -7 | 3 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1016/s0960-894x(03)00235-x | ||
| CHEMBL902 | 1584 | 89 | None | -7 | 3 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1016/s0960-894x(03)00235-x | ||
| DB00927 | 1584 | 89 | None | -7 | 3 | Guinea pig | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1016/s0960-894x(03)00235-x | ||
| 44292729 | 182271 | 0 | None | - | 0 | Guinea pig | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 563 | 11 | 3 | 6 | 4.6 | N#CN/C(=N\CCNC(=O)c1c2ccccc2nc2ccccc12)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/s0960-894x(03)00235-x | ||
| CHEMBL47917 | 182271 | 0 | None | - | 0 | Guinea pig | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 563 | 11 | 3 | 6 | 4.6 | N#CN/C(=N\CCNC(=O)c1c2ccccc2nc2ccccc12)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/s0960-894x(03)00235-x | ||
| 44292744 | 100038 | 0 | None | - | 0 | Guinea pig | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 638 | 13 | 2 | 8 | 5.2 | CC(=O)c1ccc2n(c1=O)[C@H](COC(=O)CCC(=O)NCCCOc1cccc(CN3CCCCC3)c1)Cc1c-2[nH]c2ccccc12 | 10.1016/s0960-894x(03)00235-x | ||
| CHEMBL291192 | 100038 | 0 | None | - | 0 | Guinea pig | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 638 | 13 | 2 | 8 | 5.2 | CC(=O)c1ccc2n(c1=O)[C@H](COC(=O)CCC(=O)NCCCOc1cccc(CN3CCCCC3)c1)Cc1c-2[nH]c2ccccc12 | 10.1016/s0960-894x(03)00235-x | ||
| 44292619 | 100649 | 0 | None | - | 0 | Guinea pig | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 591 | 13 | 3 | 7 | 3.7 | CN(C)c1cccc2c(S(=O)(=O)NCC/N=C(\NC#N)NCCCOc3cccc(CN4CCCCC4)c3)cccc12 | 10.1016/s0960-894x(03)00235-x | ||
| CHEMBL295252 | 100649 | 0 | None | - | 0 | Guinea pig | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 591 | 13 | 3 | 7 | 3.7 | CN(C)c1cccc2c(S(=O)(=O)NCC/N=C(\NC#N)NCCCOc3cccc(CN4CCCCC4)c3)cccc12 | 10.1016/s0960-894x(03)00235-x | ||
| CHEMBL286835 | 99544 | 0 | None | - | 0 | Rat | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 755 | 14 | 6 | 11 | 4.5 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3cccc(OC(=O)NCCCC(=O)NCCSCc4csc(C=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| 11218373 | 11987 | 2 | None | - | 0 | Guinea pig | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 224 | 10 | 1 | 2 | 3.3 | CCCCCCCOCCCc1c[nH]cn1 | 10.1021/jm031065q | ||
| CHEMBL1184028 | 11987 | 2 | None | - | 0 | Guinea pig | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 224 | 10 | 1 | 2 | 3.3 | CCCCCCCOCCCc1c[nH]cn1 | 10.1021/jm031065q | ||
| CHEMBL329116 | 11987 | 2 | None | - | 0 | Guinea pig | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 224 | 10 | 1 | 2 | 3.3 | CCCCCCCOCCCc1c[nH]cn1 | 10.1021/jm031065q | ||
| 11791817 | 97838 | 0 | None | - | 2 | Guinea pig | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 345 | 9 | 2 | 2 | 4.5 | c1ccc(C(CCc2nc(CCNC3CC3)c[nH]2)c2ccccc2)cc1 | 10.1021/jm991056a | ||
| CHEMBL274831 | 97838 | 0 | None | - | 2 | Guinea pig | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 345 | 9 | 2 | 2 | 4.5 | c1ccc(C(CCc2nc(CCNC3CC3)c[nH]2)c2ccccc2)cc1 | 10.1021/jm991056a | ||
| 10730975 | 11984 | 0 | None | - | 0 | Guinea pig | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 273 | 6 | 2 | 4 | 2.9 | C/C(=N\O)c1ccc(OCCCc2c[nH]cn2)c(C)c1 | 10.1021/jm000971p | ||
| CHEMBL1183977 | 11984 | 0 | None | - | 0 | Guinea pig | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 273 | 6 | 2 | 4 | 2.9 | C/C(=N\O)c1ccc(OCCCc2c[nH]cn2)c(C)c1 | 10.1021/jm000971p | ||
| CHEMBL326624 | 11984 | 0 | None | - | 0 | Guinea pig | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 273 | 6 | 2 | 4 | 2.9 | C/C(=N\O)c1ccc(OCCCc2c[nH]cn2)c(C)c1 | 10.1021/jm000971p | ||
| 9976264 | 13437 | 0 | None | - | 0 | Guinea pig | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 367 | 10 | 5 | 5 | 2.0 | Cc1[nH]cnc1CSCCNC(=N)NCCSCc1nc[nH]c1C | 10.1021/jm00148a007 | ||
| CHEMBL1193914 | 13437 | 0 | None | - | 0 | Guinea pig | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 367 | 10 | 5 | 5 | 2.0 | Cc1[nH]cnc1CSCCNC(=N)NCCSCc1nc[nH]c1C | 10.1021/jm00148a007 | ||
| CHEMBL545393 | 13437 | 0 | None | - | 0 | Guinea pig | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 367 | 10 | 5 | 5 | 2.0 | Cc1[nH]cnc1CSCCNC(=N)NCCSCc1nc[nH]c1C | 10.1021/jm00148a007 | ||
| 135564658 | 101730 | 3 | None | - | 0 | Guinea pig | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 346 | 7 | 5 | 9 | 0.9 | N=C(N)Nc1nc(CSCCNc2n[s+]([O-])nc2N)cs1 | 10.1021/jm00345a003 | ||
| 5477889 | 101730 | 3 | None | - | 0 | Guinea pig | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 346 | 7 | 5 | 9 | 0.9 | N=C(N)Nc1nc(CSCCNc2n[s+]([O-])nc2N)cs1 | 10.1021/jm00345a003 | ||
| CHEMBL302907 | 101730 | 3 | None | - | 0 | Guinea pig | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 346 | 7 | 5 | 9 | 0.9 | N=C(N)Nc1nc(CSCCNc2n[s+]([O-])nc2N)cs1 | 10.1021/jm00345a003 | ||
| 44293003 | 174684 | 0 | None | - | 0 | Guinea pig | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 634 | 18 | 4 | 11 | 3.7 | N#CN/C(=N\CCNC(=O)CCCCCNc1ccc([N+](=O)[O-])c2nonc12)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/s0960-894x(03)00235-x | ||
| CHEMBL45725 | 174684 | 0 | None | - | 0 | Guinea pig | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 634 | 18 | 4 | 11 | 3.7 | N#CN/C(=N\CCNC(=O)CCCCCNc1ccc([N+](=O)[O-])c2nonc12)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/s0960-894x(03)00235-x | ||
| 1231 | 922 | 112 | None | - | 4 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00249-1 | ||
| 2756 | 922 | 112 | None | - | 4 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00249-1 | ||
| 645 | 922 | 112 | None | - | 4 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL30 | 922 | 112 | None | - | 4 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00249-1 | ||
| DB00501 | 922 | 112 | None | - | 4 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00249-1 | ||
| 44281020 | 116131 | 0 | None | - | 3 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 773 | 16 | 4 | 8 | 6.2 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL33698 | 116131 | 0 | None | - | 3 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 773 | 16 | 4 | 8 | 6.2 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 1231 | 922 | 112 | None | - | 4 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00248-X | ||
| 2756 | 922 | 112 | None | - | 4 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00248-X | ||
| 645 | 922 | 112 | None | - | 4 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL30 | 922 | 112 | None | - | 4 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00248-X | ||
| DB00501 | 922 | 112 | None | - | 4 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/S0960-894X(96)00248-X | ||
| 44279811 | 96464 | 0 | None | - | 3 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 743 | 15 | 4 | 7 | 5.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL265987 | 96464 | 0 | None | - | 3 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 743 | 15 | 4 | 7 | 5.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 11459067 | 11228 | 0 | None | - | 0 | Guinea pig | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 238 | 11 | 1 | 2 | 3.7 | CCCCCCCCOCCCc1c[nH]cn1 | 10.1021/jm031065q | ||
| CHEMBL1179647 | 11228 | 0 | None | - | 0 | Guinea pig | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 238 | 11 | 1 | 2 | 3.7 | CCCCCCCCOCCCc1c[nH]cn1 | 10.1021/jm031065q | ||
| CHEMBL91523 | 11228 | 0 | None | - | 0 | Guinea pig | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 238 | 11 | 1 | 2 | 3.7 | CCCCCCCCOCCCc1c[nH]cn1 | 10.1021/jm031065q | ||
| 19854557 | 119846 | 0 | None | - | 0 | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 198 | 4 | 3 | 3 | 1.2 | CSC(=N)NCCCc1c[nH]cn1 | 10.1021/jm00148a007 | ||
| CHEMBL353211 | 119846 | 0 | None | - | 0 | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 198 | 4 | 3 | 3 | 1.2 | CSC(=N)NCCCc1c[nH]cn1 | 10.1021/jm00148a007 | ||
| CHEMBL540256 | 119846 | 0 | None | - | 0 | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 198 | 4 | 3 | 3 | 1.2 | CSC(=N)NCCCc1c[nH]cn1 | 10.1021/jm00148a007 | ||
| 1248 | 1391 | 27 | None | - | 1 | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1021/jm00095a021 | ||
| 3077 | 1391 | 27 | None | - | 1 | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1021/jm00095a021 | ||
| 90045 | 1391 | 27 | None | - | 1 | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1021/jm00095a021 | ||
| CHEMBL12344 | 1391 | 27 | None | - | 1 | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1021/jm00095a021 | ||
| 10042467 | 1393 | 1 | None | - | 2 | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 333 | 8 | 1 | 2 | 4.3 | CN(CCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1)C | 10.1021/jm991056a | ||
| 1203 | 1393 | 1 | None | - | 2 | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 333 | 8 | 1 | 2 | 4.3 | CN(CCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1)C | 10.1021/jm991056a | ||
| CHEMBL11553 | 1393 | 1 | None | - | 2 | Guinea pig | 4.6 | pKd | = | 4.6 | Functional | ChEMBL | 333 | 8 | 1 | 2 | 4.3 | CN(CCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1)C | 10.1021/jm991056a | ||
| 1232 | 2017 | 6 | None | - | 0 | Guinea pig | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 603 | 11 | 4 | 6 | 3.1 | N#CNC(=NCCCOc1cccc(c1)CN1CCCCC1)NCCNC(=O)c1ccc(c(c1)I)N | 10.1021/jm00090a013 | ||
| 181461 | 2017 | 6 | None | - | 0 | Guinea pig | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 603 | 11 | 4 | 6 | 3.1 | N#CNC(=NCCCOc1cccc(c1)CN1CCCCC1)NCCNC(=O)c1ccc(c(c1)I)N | 10.1021/jm00090a013 | ||
| CHEMBL72193 | 2017 | 6 | None | - | 0 | Guinea pig | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 603 | 11 | 4 | 6 | 3.1 | N#CNC(=NCCCOc1cccc(c1)CN1CCCCC1)NCCNC(=O)c1ccc(c(c1)I)N | 10.1021/jm00090a013 | ||
| 71263 | 102665 | 16 | None | - | 0 | Guinea pig | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 228 | 4 | 2 | 2 | 2.9 | CC(C)/N=C/Nc1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| CHEMBL308005 | 102665 | 16 | None | - | 0 | Guinea pig | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 228 | 4 | 2 | 2 | 2.9 | CC(C)/N=C/Nc1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| CHEMBL50020 | 102665 | 16 | None | - | 0 | Guinea pig | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 228 | 4 | 2 | 2 | 2.9 | CC(C)/N=C/Nc1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| 42625304 | 178512 | 0 | None | -77 | 5 | Guinea pig | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 237 | 5 | 3 | 2 | 0.4 | CC(C)C(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL471724 | 178512 | 0 | None | -77 | 5 | Guinea pig | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 237 | 5 | 3 | 2 | 0.4 | CC(C)C(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 44294873 | 12265 | 0 | None | - | 0 | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 256 | 6 | 2 | 2 | 3.5 | CCC(CC)N/C=N/c1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| CHEMBL1185623 | 12265 | 0 | None | - | 0 | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 256 | 6 | 2 | 2 | 3.5 | CCC(CC)N/C=N/c1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| CHEMBL423660 | 12265 | 0 | None | - | 0 | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 256 | 6 | 2 | 2 | 3.5 | CCC(CC)N/C=N/c1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| 13499363 | 162635 | 0 | None | - | 0 | Guinea pig | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 338 | 9 | 3 | 5 | 1.9 | Cc1[nH]cnc1CSCC/N=C(\N)NCCCc1nccs1 | 10.1021/jm00148a007 | ||
| CHEMBL1744352 | 162635 | 0 | None | - | 0 | Guinea pig | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 338 | 9 | 3 | 5 | 1.9 | Cc1[nH]cnc1CSCC/N=C(\N)NCCCc1nccs1 | 10.1021/jm00148a007 | ||
| CHEMBL418211 | 162635 | 0 | None | - | 0 | Guinea pig | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 338 | 9 | 3 | 5 | 1.9 | Cc1[nH]cnc1CSCC/N=C(\N)NCCCc1nccs1 | 10.1021/jm00148a007 | ||
| 44281204 | 99375 | 0 | None | - | 3 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 871 | 18 | 4 | 10 | 5.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCCN3CCN(C(=O)CNCCCOc4cccc(CN5CCCCC5)c4)CC3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL285719 | 99375 | 0 | None | - | 3 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 871 | 18 | 4 | 10 | 5.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCCN3CCN(C(=O)CNCCCOc4cccc(CN5CCCCC5)c4)CC3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44280741 | 156009 | 0 | None | - | 3 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 759 | 15 | 4 | 8 | 5.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL406844 | 156009 | 0 | None | - | 3 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 759 | 15 | 4 | 8 | 5.8 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44280372 | 98915 | 0 | None | - | 3 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 787 | 17 | 4 | 8 | 5.8 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL282645 | 98915 | 0 | None | - | 3 | Rat | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 787 | 17 | 4 | 8 | 5.8 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL282175 | 98850 | 0 | None | - | 3 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 769 | 16 | 6 | 11 | 4.6 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CCOC(=O)NCCCC(=O)NCCSCc3csc(C=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| 44280713 | 99557 | 0 | None | - | 3 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 740 | 15 | 6 | 9 | 3.6 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL286907 | 99557 | 0 | None | - | 3 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 740 | 15 | 6 | 9 | 3.6 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 10688111 | 9930 | 0 | None | - | 2 | Guinea pig | 4.5 | pKd | = | 4.5 | Functional | ChEMBL | 333 | 9 | 2 | 2 | 4.3 | CCNCCc1c[nH]c(CCC(c2ccccc2)c2ccccc2)n1 | 10.1021/jm991056a | ||
| CHEMBL11515 | 9930 | 0 | None | - | 2 | Guinea pig | 4.5 | pKd | = | 4.5 | Functional | ChEMBL | 333 | 9 | 2 | 2 | 4.3 | CCNCCc1c[nH]c(CCC(c2ccccc2)c2ccccc2)n1 | 10.1021/jm991056a | ||
| 44293001 | 176179 | 0 | None | - | 0 | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 577 | 16 | 3 | 10 | 4.6 | N#CN/C(=N\CCCCCCNc1ccc([N+](=O)[O-])c2nonc12)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/s0960-894x(03)00235-x | ||
| CHEMBL46043 | 176179 | 0 | None | - | 0 | Guinea pig | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 577 | 16 | 3 | 10 | 4.6 | N#CN/C(=N\CCCCCCNc1ccc([N+](=O)[O-])c2nonc12)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/s0960-894x(03)00235-x | ||
| 13499397 | 13226 | 0 | None | - | 0 | Guinea pig | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 338 | 9 | 3 | 5 | 2.4 | Cc1[nH]cnc1CSCC/N=C(\N)SCCCc1c[nH]cn1 | 10.1021/jm00148a007 | ||
| CHEMBL1192303 | 13226 | 0 | None | - | 0 | Guinea pig | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 338 | 9 | 3 | 5 | 2.4 | Cc1[nH]cnc1CSCC/N=C(\N)SCCCc1c[nH]cn1 | 10.1021/jm00148a007 | ||
| CHEMBL543520 | 13226 | 0 | None | - | 0 | Guinea pig | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 338 | 9 | 3 | 5 | 2.4 | Cc1[nH]cnc1CSCC/N=C(\N)SCCCc1c[nH]cn1 | 10.1021/jm00148a007 | ||
| 42625303 | 180174 | 0 | None | -190 | 7 | Guinea pig | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 223 | 5 | 3 | 2 | 0.2 | CCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL475621 | 180174 | 0 | None | -190 | 7 | Guinea pig | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 223 | 5 | 3 | 2 | 0.2 | CCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 10447834 | 1894 | 4 | None | - | 3 | Guinea pig | 4.5 | pKd | = | 4.5 | Functional | ChEMBL | 305 | 7 | 2 | 2 | 3.7 | NCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
| 4026 | 1894 | 4 | None | - | 3 | Guinea pig | 4.5 | pKd | = | 4.5 | Functional | ChEMBL | 305 | 7 | 2 | 2 | 3.7 | NCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
| CHEMBL275507 | 1894 | 4 | None | - | 3 | Guinea pig | 4.5 | pKd | = | 4.5 | Functional | ChEMBL | 305 | 7 | 2 | 2 | 3.7 | NCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 | 10.1021/jm991056a | ||
| 42625384 | 169195 | 0 | None | -223 | 5 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 209 | 4 | 3 | 2 | -0.2 | CC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL443896 | 169195 | 0 | None | -223 | 5 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 209 | 4 | 3 | 2 | -0.2 | CC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 44293002 | 100706 | 0 | None | - | 0 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 535 | 13 | 3 | 10 | 3.4 | N#CN/C(=N\CCCNc1ccc([N+](=O)[O-])c2nonc12)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/s0960-894x(03)00235-x | ||
| CHEMBL295682 | 100706 | 0 | None | - | 0 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 535 | 13 | 3 | 10 | 3.4 | N#CN/C(=N\CCCNc1ccc([N+](=O)[O-])c2nonc12)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/s0960-894x(03)00235-x | ||
| 1231 | 922 | 112 | None | -11 | 4 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00384a036 | ||
| 2756 | 922 | 112 | None | -11 | 4 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00384a036 | ||
| 645 | 922 | 112 | None | -11 | 4 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00384a036 | ||
| CHEMBL30 | 922 | 112 | None | -11 | 4 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00384a036 | ||
| DB00501 | 922 | 112 | None | -11 | 4 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00384a036 | ||
| 5105 | 176243 | 49 | None | - | 0 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 348 | 9 | 1 | 5 | 2.1 | CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/s0960-894x(03)00235-x | ||
| CHEMBL46102 | 176243 | 49 | None | - | 0 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 348 | 9 | 1 | 5 | 2.1 | CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/s0960-894x(03)00235-x | ||
| 1231 | 922 | 112 | None | -11 | 4 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00384a036 | ||
| 2756 | 922 | 112 | None | -11 | 4 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00384a036 | ||
| 645 | 922 | 112 | None | -11 | 4 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00384a036 | ||
| CHEMBL30 | 922 | 112 | None | -11 | 4 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00384a036 | ||
| DB00501 | 922 | 112 | None | -11 | 4 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00384a036 | ||
| 44280740 | 99928 | 0 | None | - | 3 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 787 | 17 | 4 | 8 | 6.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL290122 | 99928 | 0 | None | - | 3 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 787 | 17 | 4 | 8 | 6.3 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44280200 | 100344 | 0 | None | - | 3 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 785 | 18 | 4 | 7 | 6.6 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL29331 | 100344 | 0 | None | - | 3 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 785 | 18 | 4 | 7 | 6.6 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44279861 | 102696 | 0 | None | - | 3 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 726 | 14 | 6 | 9 | 3.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL30821 | 102696 | 0 | None | - | 3 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 726 | 14 | 6 | 9 | 3.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 44279810 | 103354 | 0 | None | - | 3 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 757 | 16 | 4 | 7 | 5.7 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL30917 | 103354 | 0 | None | - | 3 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 757 | 16 | 4 | 7 | 5.7 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 44279808 | 98671 | 0 | None | - | 3 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 712 | 13 | 6 | 9 | 2.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL281082 | 98671 | 0 | None | - | 3 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 712 | 13 | 6 | 9 | 2.9 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCSCc3csc(N=C(N)N)n3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 10849869 | 9922 | 0 | None | - | 0 | Guinea pig | 4.4 | pKd | = | 4.4 | Functional | ChEMBL | 273 | 6 | 2 | 4 | 2.9 | C/C(=N\O)c1ccc(OCCCc2c[nH]cn2)cc1C | 10.1021/jm000971p | ||
| CHEMBL115091 | 9922 | 0 | None | - | 0 | Guinea pig | 4.4 | pKd | = | 4.4 | Functional | ChEMBL | 273 | 6 | 2 | 4 | 2.9 | C/C(=N\O)c1ccc(OCCCc2c[nH]cn2)cc1C | 10.1021/jm000971p | ||
| 42625386 | 177768 | 0 | None | -117 | 5 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 237 | 6 | 3 | 2 | 0.6 | CCCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL465170 | 177768 | 0 | None | -117 | 5 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 237 | 6 | 3 | 2 | 0.6 | CCCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 13499383 | 13737 | 0 | None | - | 0 | Guinea pig | 4.4 | pKd | = | 4.4 | Functional | ChEMBL | 213 | 5 | 3 | 3 | 0.2 | C/N=C(\N)NCCSCc1c[nH]cn1 | 10.1021/jm00148a007 | ||
| CHEMBL1195977 | 13737 | 0 | None | - | 0 | Guinea pig | 4.4 | pKd | = | 4.4 | Functional | ChEMBL | 213 | 5 | 3 | 3 | 0.2 | C/N=C(\N)NCCSCc1c[nH]cn1 | 10.1021/jm00148a007 | ||
| CHEMBL555668 | 13737 | 0 | None | - | 0 | Guinea pig | 4.4 | pKd | = | 4.4 | Functional | ChEMBL | 213 | 5 | 3 | 3 | 0.2 | C/N=C(\N)NCCSCc1c[nH]cn1 | 10.1021/jm00148a007 | ||
| 14479829 | 61783 | 2 | None | - | 0 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 214 | 4 | 2 | 2 | 2.5 | CC/N=C/Nc1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| CHEMBL177683 | 61783 | 2 | None | - | 0 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 214 | 4 | 2 | 2 | 2.5 | CC/N=C/Nc1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| CHEMBL296826 | 61783 | 2 | None | - | 0 | Guinea pig | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 214 | 4 | 2 | 2 | 2.5 | CC/N=C/Nc1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| 42625221 | 188987 | 0 | None | -10 | 3 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 338 | 7 | 4 | 2 | 1.9 | N/C(=N\C(=O)CCc1c[nH]c2ccccc12)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL514641 | 188987 | 0 | None | -10 | 3 | Guinea pig | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 338 | 7 | 4 | 2 | 1.9 | N/C(=N\C(=O)CCc1c[nH]c2ccccc12)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 44292743 | 175476 | 0 | None | - | 0 | Guinea pig | 4.4 | pKd | = | 4.4 | Functional | ChEMBL | 718 | 13 | 5 | 9 | 4.5 | N#CN/C(=N\CCNC(=O)c1ccc(C(=O)O)c(C2c3ccc(O)cc3OC3=CC(=O)C=CC32)c1)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/s0960-894x(03)00235-x | ||
| CHEMBL45907 | 175476 | 0 | None | - | 0 | Guinea pig | 4.4 | pKd | = | 4.4 | Functional | ChEMBL | 718 | 13 | 5 | 9 | 4.5 | N#CN/C(=N\CCNC(=O)c1ccc(C(=O)O)c(C2c3ccc(O)cc3OC3=CC(=O)C=CC32)c1)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/s0960-894x(03)00235-x | ||
| 71263 | 102665 | 16 | None | - | 0 | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 228 | 4 | 2 | 2 | 2.9 | CC(C)/N=C/Nc1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00384a036 | ||
| CHEMBL308005 | 102665 | 16 | None | - | 0 | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 228 | 4 | 2 | 2 | 2.9 | CC(C)/N=C/Nc1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00384a036 | ||
| CHEMBL50020 | 102665 | 16 | None | - | 0 | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 228 | 4 | 2 | 2 | 2.9 | CC(C)/N=C/Nc1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00384a036 | ||
| 20449725 | 11924 | 1 | None | - | 0 | Guinea pig | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 242 | 5 | 2 | 2 | 3.2 | CC(C)C/N=C/Nc1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| CHEMBL1183471 | 11924 | 1 | None | - | 0 | Guinea pig | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 242 | 5 | 2 | 2 | 3.2 | CC(C)C/N=C/Nc1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| CHEMBL298859 | 11924 | 1 | None | - | 0 | Guinea pig | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 242 | 5 | 2 | 2 | 3.2 | CC(C)C/N=C/Nc1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| 135881774 | 99184 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 415 | 10 | 4 | 8 | 2.0 | CC(C)(C)OC(=O)NCCCC(=O)NCCSCc1csc(C=C(N)N)n1 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL284374 | 99184 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 415 | 10 | 4 | 8 | 2.0 | CC(C)(C)OC(=O)NCCCC(=O)NCCSCc1csc(C=C(N)N)n1 | 10.1016/S0960-894X(96)00249-1 | ||
| 44281004 | 99604 | 0 | None | - | 3 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 773 | 15 | 4 | 8 | 6.4 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3cccc(OC(=O)NCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL287295 | 99604 | 0 | None | - | 3 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 773 | 15 | 4 | 8 | 6.4 | Cc1cccc(NC(=O)N[C@@H]2N=C(c3cccc(OC(=O)NCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00249-1 | ||
| 44280029 | 95981 | 0 | None | - | 3 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 740 | 15 | 6 | 9 | 3.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL262125 | 95981 | 0 | None | - | 3 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 740 | 15 | 6 | 9 | 3.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCC(=O)NCCSCc3csc(N=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 44280373 | 98916 | 0 | None | - | 3 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 773 | 16 | 4 | 8 | 5.4 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL282646 | 98916 | 0 | None | - | 3 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 773 | 16 | 4 | 8 | 5.4 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44280388 | 116356 | 0 | None | - | 3 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 759 | 15 | 4 | 8 | 5.0 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL33819 | 116356 | 0 | None | - | 3 | Rat | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 759 | 15 | 4 | 8 | 5.0 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44279862 | 98660 | 0 | None | - | 3 | Rat | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 702 | 13 | 3 | 7 | 5.9 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL281017 | 98660 | 0 | None | - | 3 | Rat | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 702 | 13 | 3 | 7 | 5.9 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44280213 | 101134 | 0 | None | - | 3 | Rat | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 685 | 12 | 5 | 9 | 3.7 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL29888 | 101134 | 0 | None | - | 3 | Rat | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 685 | 12 | 5 | 9 | 3.7 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 126688 | 400 | 28 | None | -1 | 3 | Guinea pig | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1021/jm00095a021 | ||
| 4025 | 400 | 28 | None | -1 | 3 | Guinea pig | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1021/jm00095a021 | ||
| CHEMBL293762 | 400 | 28 | None | -1 | 3 | Guinea pig | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1021/jm00095a021 | ||
| 11436304 | 11217 | 0 | None | - | 0 | Guinea pig | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 236 | 8 | 1 | 2 | 3.3 | c1nc(CCCOCCCC2CCCC2)c[nH]1 | 10.1021/jm031065q | ||
| CHEMBL1179594 | 11217 | 0 | None | - | 0 | Guinea pig | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 236 | 8 | 1 | 2 | 3.3 | c1nc(CCCOCCCC2CCCC2)c[nH]1 | 10.1021/jm031065q | ||
| CHEMBL88306 | 11217 | 0 | None | - | 0 | Guinea pig | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 236 | 8 | 1 | 2 | 3.3 | c1nc(CCCOCCCC2CCCC2)c[nH]1 | 10.1021/jm031065q | ||
| 11345716 | 11224 | 0 | None | - | 0 | Guinea pig | 4.3 | pKd | = | 4.3 | Functional | ChEMBL | 250 | 8 | 1 | 2 | 3.7 | c1nc(CCCOCCCC2CCCCC2)c[nH]1 | 10.1021/jm031065q | ||
| CHEMBL1179627 | 11224 | 0 | None | - | 0 | Guinea pig | 4.3 | pKd | = | 4.3 | Functional | ChEMBL | 250 | 8 | 1 | 2 | 3.7 | c1nc(CCCOCCCC2CCCCC2)c[nH]1 | 10.1021/jm031065q | ||
| CHEMBL89999 | 11224 | 0 | None | - | 0 | Guinea pig | 4.3 | pKd | = | 4.3 | Functional | ChEMBL | 250 | 8 | 1 | 2 | 3.7 | c1nc(CCCOCCCC2CCCCC2)c[nH]1 | 10.1021/jm031065q | ||
| 9997754 | 102612 | 0 | None | - | 0 | Guinea pig | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 346 | 9 | 4 | 5 | 1.3 | Cc1[nH]cnc1CSCC/N=C(\NC#N)NCCCc1c[nH]cn1 | 10.1021/jm00148a007 | ||
| CHEMBL30761 | 102612 | 0 | None | - | 0 | Guinea pig | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 346 | 9 | 4 | 5 | 1.3 | Cc1[nH]cnc1CSCC/N=C(\NC#N)NCCCc1c[nH]cn1 | 10.1021/jm00148a007 | ||
| 44281205 | 114307 | 0 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 857 | 17 | 4 | 10 | 5.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCN3CCN(C(=O)CNCCCOc4cccc(CN5CCCCC5)c4)CC3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL33412 | 114307 | 0 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 857 | 17 | 4 | 10 | 5.1 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCN3CCN(C(=O)CNCCCOc4cccc(CN5CCCCC5)c4)CC3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44279809 | 98497 | 0 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 785 | 18 | 4 | 7 | 6.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL279778 | 98497 | 0 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 785 | 18 | 4 | 7 | 6.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)NCCCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00248-X | ||
| 44280371 | 102541 | 0 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 815 | 19 | 4 | 8 | 6.6 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL30701 | 102541 | 0 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 815 | 19 | 4 | 8 | 6.6 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCCCC(=O)NCCCOc4cccc(CN5CCCCC5)c4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44280214 | 106805 | 0 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 770 | 16 | 6 | 10 | 3.6 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL31726 | 106805 | 0 | None | - | 3 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 770 | 16 | 6 | 10 | 3.6 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 13499406 | 100976 | 0 | None | - | 0 | Guinea pig | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 322 | 9 | 4 | 4 | 1.6 | Cc1[nH]cnc1CSCCNC(=O)NCCCc1c[nH]cn1 | 10.1021/jm00148a007 | ||
| CHEMBL29770 | 100976 | 0 | None | - | 0 | Guinea pig | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 322 | 9 | 4 | 4 | 1.6 | Cc1[nH]cnc1CSCCNC(=O)NCCCc1c[nH]cn1 | 10.1021/jm00148a007 | ||
| 44280266 | 98309 | 0 | None | - | 3 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 729 | 14 | 4 | 7 | 5.0 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL278217 | 98309 | 0 | None | - | 3 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 729 | 14 | 4 | 7 | 5.0 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 13499389 | 13000 | 0 | None | - | 0 | Guinea pig | 4.2 | pKd | = | 4.2 | Functional | ChEMBL | 198 | 4 | 2 | 3 | 0.6 | C/N=C(\N)NCCCc1nccs1 | 10.1021/jm00148a007 | ||
| CHEMBL1190496 | 13000 | 0 | None | - | 0 | Guinea pig | 4.2 | pKd | = | 4.2 | Functional | ChEMBL | 198 | 4 | 2 | 3 | 0.6 | C/N=C(\N)NCCCc1nccs1 | 10.1021/jm00148a007 | ||
| CHEMBL541027 | 13000 | 0 | None | - | 0 | Guinea pig | 4.2 | pKd | = | 4.2 | Functional | ChEMBL | 198 | 4 | 2 | 3 | 0.6 | C/N=C(\N)NCCCc1nccs1 | 10.1021/jm00148a007 | ||
| 11356502 | 11218 | 0 | None | - | 0 | Guinea pig | 4.2 | pKd | = | 4.2 | Functional | ChEMBL | 222 | 6 | 1 | 2 | 3.3 | c1nc(COCCCC2CCCCC2)c[nH]1 | 10.1021/jm031065q | ||
| CHEMBL1179596 | 11218 | 0 | None | - | 0 | Guinea pig | 4.2 | pKd | = | 4.2 | Functional | ChEMBL | 222 | 6 | 1 | 2 | 3.3 | c1nc(COCCCC2CCCCC2)c[nH]1 | 10.1021/jm031065q | ||
| CHEMBL88362 | 11218 | 0 | None | - | 0 | Guinea pig | 4.2 | pKd | = | 4.2 | Functional | ChEMBL | 222 | 6 | 1 | 2 | 3.3 | c1nc(COCCCC2CCCCC2)c[nH]1 | 10.1021/jm031065q | ||
| 44292856 | 100967 | 0 | None | - | 0 | Guinea pig | 4.2 | pKd | = | 4.2 | Functional | ChEMBL | 718 | 13 | 5 | 9 | 4.5 | N#CN/C(=N\CCNC(=O)c1ccc(C2c3ccc(O)cc3OC3=CC(=O)C=CC32)c(C(=O)O)c1)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/s0960-894x(03)00235-x | ||
| CHEMBL297627 | 100967 | 0 | None | - | 0 | Guinea pig | 4.2 | pKd | = | 4.2 | Functional | ChEMBL | 718 | 13 | 5 | 9 | 4.5 | N#CN/C(=N\CCNC(=O)c1ccc(C2c3ccc(O)cc3OC3=CC(=O)C=CC32)c(C(=O)O)c1)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/s0960-894x(03)00235-x | ||
| 12810814 | 13156 | 0 | None | - | 0 | Guinea pig | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 244 | 5 | 3 | 4 | 1.8 | CSC(=N)NCCSCc1[nH]cnc1C | 10.1021/jm00148a007 | ||
| CHEMBL1191682 | 13156 | 0 | None | - | 0 | Guinea pig | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 244 | 5 | 3 | 4 | 1.8 | CSC(=N)NCCSCc1[nH]cnc1C | 10.1021/jm00148a007 | ||
| CHEMBL542817 | 13156 | 0 | None | - | 0 | Guinea pig | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 244 | 5 | 3 | 4 | 1.8 | CSC(=N)NCCSCc1[nH]cnc1C | 10.1021/jm00148a007 | ||
| 1204 | 1893 | 114 | None | -14 | 11 | Guinea pig | 4.2 | pKd | = | 4.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm00095a021 | ||
| 1247 | 1893 | 114 | None | -14 | 11 | Guinea pig | 4.2 | pKd | = | 4.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm00095a021 | ||
| 1375 | 1893 | 114 | None | -14 | 11 | Guinea pig | 4.2 | pKd | = | 4.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm00095a021 | ||
| 774 | 1893 | 114 | None | -14 | 11 | Guinea pig | 4.2 | pKd | = | 4.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm00095a021 | ||
| CHEMBL90 | 1893 | 114 | None | -14 | 11 | Guinea pig | 4.2 | pKd | = | 4.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm00095a021 | ||
| DB05381 | 1893 | 114 | None | -14 | 11 | Guinea pig | 4.2 | pKd | = | 4.2 | Functional | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm00095a021 | ||
| 44294891 | 11925 | 0 | None | - | 0 | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 256 | 5 | 2 | 2 | 3.5 | CCC(C)(C)N/C=N/c1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| CHEMBL1183478 | 11925 | 0 | None | - | 0 | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 256 | 5 | 2 | 2 | 3.5 | CCC(C)(C)N/C=N/c1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| CHEMBL299537 | 11925 | 0 | None | - | 0 | Guinea pig | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 256 | 5 | 2 | 2 | 3.5 | CCC(C)(C)N/C=N/c1ccc(-c2c[nH]cn2)cc1 | 10.1021/jm00110a004 | ||
| 13499375 | 100980 | 0 | None | - | 0 | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 370 | 10 | 3 | 6 | 2.2 | Cc1[nH]cnc1CSCC/N=C(\N)NCCSCc1nccs1 | 10.1021/jm00148a007 | ||
| CHEMBL1744351 | 100980 | 0 | None | - | 0 | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 370 | 10 | 3 | 6 | 2.2 | Cc1[nH]cnc1CSCC/N=C(\N)NCCSCc1nccs1 | 10.1021/jm00148a007 | ||
| CHEMBL29771 | 100980 | 0 | None | - | 0 | Guinea pig | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 370 | 10 | 3 | 6 | 2.2 | Cc1[nH]cnc1CSCC/N=C(\N)NCCSCc1nccs1 | 10.1021/jm00148a007 | ||
| 44280996 | 99270 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 745 | 14 | 4 | 8 | 5.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL284976 | 99270 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 745 | 14 | 4 | 8 | 5.4 | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| CHEMBL285995 | 99417 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 741 | 16 | 6 | 11 | 4.5 | CN1C(=O)[C@H](NC(=O)Nc2cccc(CCOC(=O)NCCCNCCSCc3csc(C=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 | 10.1016/S0960-894X(96)00249-1 | ||
| 44280215 | 99356 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 756 | 15 | 6 | 10 | 3.3 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL285586 | 99356 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 756 | 15 | 6 | 10 | 3.3 | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44280225 | 99488 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 743 | 15 | 4 | 7 | 5.4 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL286475 | 99488 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 743 | 15 | 4 | 7 | 5.4 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44280224 | 104292 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 757 | 16 | 4 | 7 | 5.8 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| CHEMBL31090 | 104292 | 0 | None | - | 3 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 757 | 16 | 4 | 7 | 5.8 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)C2=O)c1 | 10.1016/S0960-894X(96)00248-X | ||
| 44292855 | 100928 | 0 | None | - | 0 | Guinea pig | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 746 | 15 | 5 | 9 | 5.2 | N#CN/C(=N\CCCCNC(=O)c1ccc(C2c3ccc(O)cc3OC3=CC(=O)C=CC32)c(C(=O)O)c1)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/s0960-894x(03)00235-x | ||
| CHEMBL297324 | 100928 | 0 | None | - | 0 | Guinea pig | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 746 | 15 | 5 | 9 | 5.2 | N#CN/C(=N\CCCCNC(=O)c1ccc(C2c3ccc(O)cc3OC3=CC(=O)C=CC32)c(C(=O)O)c1)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1016/s0960-894x(03)00235-x | ||
| 1231 | 922 | 112 | None | -11 | 4 | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00384a036 | ||
| 2756 | 922 | 112 | None | -11 | 4 | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00384a036 | ||
| 645 | 922 | 112 | None | -11 | 4 | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00384a036 | ||
| CHEMBL30 | 922 | 112 | None | -11 | 4 | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00384a036 | ||
| DB00501 | 922 | 112 | None | -11 | 4 | Guinea pig | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00384a036 | ||
| 54754351 | 67860 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN1CCN(c2cc(NCCC(C)(C)C)ncn2)CC1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1915535 | 67860 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 277 | 4 | 1 | 5 | 2.1 | CN1CCN(c2cc(NCCC(C)(C)C)ncn2)CC1 | 10.1016/j.bmcl.2011.07.114 | ||
| 57395620 | 67859 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 263 | 5 | 3 | 5 | 2.1 | CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 | 10.1016/j.bmcl.2011.07.114 | ||
| CHEMBL1915534 | 67859 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 263 | 5 | 3 | 5 | 2.1 | CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 | 10.1016/j.bmcl.2011.07.114 | ||
| 1204 | 1893 | 114 | None | -14 | 11 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1247 | 1893 | 114 | None | -14 | 11 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1375 | 1893 | 114 | None | -14 | 11 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 774 | 1893 | 114 | None | -14 | 11 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| CHEMBL90 | 1893 | 114 | None | -14 | 11 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| DB05381 | 1893 | 114 | None | -14 | 11 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 126688 | 400 | 28 | None | 1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 19072936 | ||
| 4025 | 400 | 28 | None | 1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 19072936 | ||
| CHEMBL293762 | 400 | 28 | None | 1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | Guide to Pharmacology | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 19072936 | ||
| 1229 | 730 | 0 | None | - | 1 | Human | 5.7 | pEC50 | None | 5.7 | Functional | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 9681472 | ||
| 5311293 | 730 | 0 | None | - | 1 | Human | 5.7 | pEC50 | None | 5.7 | Functional | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 9681472 | ||
| 18381 | 215965 | 0 | None | 1 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 469 | 4 | 2 | 6 | 3.2 | CC1=C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)C(=NO1)C1=C(Cl)C=CC=C1Cl | None | ||
| 30699 | 215959 | 0 | None | -1 | 14 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 423 | 7 | 2 | 8 | 0.5 | CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSC1=CC=NC=C1)C2=O)C(O)=O | None | ||
| 180 | 397 | 50 | None | -151 | 27 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 200 | 397 | 50 | None | -151 | 27 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 2160 | 397 | 50 | None | -151 | 27 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL629 | 397 | 50 | None | -151 | 27 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00321 | 397 | 50 | None | -151 | 27 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 46780481 | 107032 | 18 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 9903970 | 107032 | 18 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3187365 | 107032 | 18 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3544974 | 107032 | 18 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 90667234 | 108972 | 0 | None | 3 | 2 | Guinea pig | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 314 | 7 | 3 | 3 | 1.4 | CC(CC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1039/C3MD00245D | ||
| CHEMBL3220635 | 108972 | 0 | None | 3 | 2 | Guinea pig | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 314 | 7 | 3 | 3 | 1.4 | CC(CC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1039/C3MD00245D | ||
| 1204 | 1893 | 114 | None | -794 | 25 | Guinea pig | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| 1247 | 1893 | 114 | None | -794 | 25 | Guinea pig | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| 1375 | 1893 | 114 | None | -794 | 25 | Guinea pig | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| 774 | 1893 | 114 | None | -794 | 25 | Guinea pig | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| CHEMBL90 | 1893 | 114 | None | -794 | 25 | Guinea pig | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| DB05381 | 1893 | 114 | None | -794 | 25 | Guinea pig | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| 11741669 | 96292 | 0 | None | - | 2 | Guinea pig | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 399 | 11 | 3 | 3 | 4.3 | c1ccc(C(CCc2nc(CCNCCc3cnc[nH]3)c[nH]2)c2ccccc2)cc1 | 10.1021/jm0309147 | ||
| CHEMBL264491 | 96292 | 0 | None | - | 2 | Guinea pig | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 399 | 11 | 3 | 3 | 4.3 | c1ccc(C(CCc2nc(CCNCCc3cnc[nH]3)c[nH]2)c2ccccc2)cc1 | 10.1021/jm0309147 | ||
| 25149708 | 187842 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 319 | 7 | 4 | 4 | 2.2 | CC(CC(=O)NC(=N)NCCCc1c[nH]cn1)c1cccs1 | 10.1021/jm800841w | ||
| CHEMBL502339 | 187842 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 319 | 7 | 4 | 4 | 2.2 | CC(CC(=O)NC(=N)NCCCc1c[nH]cn1)c1cccs1 | 10.1021/jm800841w | ||
| 42625304 | 178512 | 0 | None | - | 2 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 237 | 5 | 3 | 2 | 0.4 | CC(C)C(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL471724 | 178512 | 0 | None | - | 2 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 237 | 5 | 3 | 2 | 0.4 | CC(C)C(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 25149335 | 183633 | 0 | None | - | 1 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm800841w | ||
| CHEMBL483406 | 183633 | 0 | None | - | 1 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm800841w | ||
| 25149613 | 178611 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 382 | 8 | 4 | 5 | 2.7 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1nccs1 | 10.1021/jm800841w | ||
| CHEMBL472441 | 178611 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 382 | 8 | 4 | 5 | 2.7 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1nccs1 | 10.1021/jm800841w | ||
| 1204 | 1893 | 114 | None | -794 | 25 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
| 1247 | 1893 | 114 | None | -794 | 25 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
| 1375 | 1893 | 114 | None | -794 | 25 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
| 774 | 1893 | 114 | None | -794 | 25 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
| CHEMBL90 | 1893 | 114 | None | -794 | 25 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
| DB05381 | 1893 | 114 | None | -794 | 25 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
| 1204 | 1893 | 114 | None | -173 | 25 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
| 1247 | 1893 | 114 | None | -173 | 25 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
| 1375 | 1893 | 114 | None | -173 | 25 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
| 774 | 1893 | 114 | None | -173 | 25 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
| CHEMBL90 | 1893 | 114 | None | -173 | 25 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
| DB05381 | 1893 | 114 | None | -173 | 25 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm800841w | ||
| 1204 | 1893 | 114 | None | -173 | 25 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
| 1247 | 1893 | 114 | None | -173 | 25 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
| 1375 | 1893 | 114 | None | -173 | 25 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
| 774 | 1893 | 114 | None | -173 | 25 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
| CHEMBL90 | 1893 | 114 | None | -173 | 25 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
| DB05381 | 1893 | 114 | None | -173 | 25 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm9000693 | ||
| 1204 | 1893 | 114 | None | -173 | 25 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| 1247 | 1893 | 114 | None | -173 | 25 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| 1375 | 1893 | 114 | None | -173 | 25 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| 774 | 1893 | 114 | None | -173 | 25 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| CHEMBL90 | 1893 | 114 | None | -173 | 25 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| DB05381 | 1893 | 114 | None | -173 | 25 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1039/C3MD00245D | ||
| 46890166 | 7220 | 0 | None | - | 2 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 419 | 6 | 2 | 4 | 4.5 | Cc1cc(OCCCN2CCc3nc[nH]c3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| CHEMBL1086105 | 7220 | 0 | None | - | 2 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 419 | 6 | 2 | 4 | 4.5 | Cc1cc(OCCCN2CCc3nc[nH]c3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 | 10.1016/j.bmcl.2010.04.017 | ||
| 25149613 | 178611 | 0 | None | - | 1 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 382 | 8 | 4 | 5 | 2.7 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1nccs1 | 10.1021/jm800841w | ||
| CHEMBL472441 | 178611 | 0 | None | - | 1 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 382 | 8 | 4 | 5 | 2.7 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1nccs1 | 10.1021/jm800841w | ||
| 42625386 | 177768 | 0 | None | - | 2 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 237 | 6 | 3 | 2 | 0.6 | CCCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL465170 | 177768 | 0 | None | - | 2 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 237 | 6 | 3 | 2 | 0.6 | CCCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 25149335 | 183633 | 0 | None | - | 1 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1039/C3MD00245D | ||
| CHEMBL483406 | 183633 | 0 | None | - | 1 | Guinea pig | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1039/C3MD00245D | ||
| 90667262 | 108979 | 0 | None | - | 0 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 324 | 7 | 2 | 2 | 2.6 | CC(CC(=O)/N=C(\N)NCCCc1ccccn1)c1ccccc1 | 10.1039/C3MD00245D | ||
| CHEMBL3220665 | 108979 | 0 | None | - | 0 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 324 | 7 | 2 | 2 | 2.6 | CC(CC(=O)/N=C(\N)NCCCc1ccccn1)c1ccccc1 | 10.1039/C3MD00245D | ||
| 90667235 | 108973 | 0 | None | - | 1 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 376 | 8 | 3 | 3 | 2.4 | N/C(=N\C(=O)CC(c1ccccc1)c1ccccc1)NCCCc1ncn[nH]1 | 10.1039/C3MD00245D | ||
| CHEMBL3220636 | 108973 | 0 | None | - | 1 | Guinea pig | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 376 | 8 | 3 | 3 | 2.4 | N/C(=N\C(=O)CC(c1ccccc1)c1ccccc1)NCCCc1ncn[nH]1 | 10.1039/C3MD00245D | ||
| 25149708 | 187842 | 0 | None | - | 0 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 319 | 7 | 4 | 4 | 2.2 | CC(CC(=O)NC(=N)NCCCc1c[nH]cn1)c1cccs1 | 10.1021/jm800841w | ||
| CHEMBL502339 | 187842 | 0 | None | - | 0 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 319 | 7 | 4 | 4 | 2.2 | CC(CC(=O)NC(=N)NCCCc1c[nH]cn1)c1cccs1 | 10.1021/jm800841w | ||
| 90667232 | 108970 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1cn[nH]c1)c1ccccc1 | 10.1039/C3MD00245D | ||
| CHEMBL3220633 | 108970 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1cn[nH]c1)c1ccccc1 | 10.1039/C3MD00245D | ||
| 10103168 | 25884 | 5 | None | - | 2 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 123 | 1 | 2 | 2 | 0.2 | N[C@@H]1C[C@H]1c1c[nH]cn1 | 10.1021/jm020415q | ||
| CHEMBL13559 | 25884 | 5 | None | - | 2 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 123 | 1 | 2 | 2 | 0.2 | N[C@@H]1C[C@H]1c1c[nH]cn1 | 10.1021/jm020415q | ||
| 182527 | 110066 | 7 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 167 | 4 | 4 | 2 | -0.2 | N=C(N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL325327 | 110066 | 7 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 167 | 4 | 4 | 2 | -0.2 | N=C(N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 42626110 | 179179 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 310 | 5 | 4 | 2 | 1.6 | N/C(=N\C(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL474448 | 179179 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 310 | 5 | 4 | 2 | 1.6 | N/C(=N\C(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 42625224 | 180172 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 395 | 9 | 5 | 3 | 1.5 | N/C(=N\C(=O)CCCNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL475620 | 180172 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 395 | 9 | 5 | 3 | 1.5 | N/C(=N\C(=O)CCCNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 42625223 | 179335 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 395 | 8 | 4 | 3 | 1.4 | CN(CCC(=O)/N=C(\N)NCCCc1c[nH]cn1)C(=O)c1cc2ccccc2[nH]1 | 10.1021/jm9000693 | ||
| CHEMBL474617 | 179335 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 395 | 8 | 4 | 3 | 1.4 | CN(CCC(=O)/N=C(\N)NCCCc1c[nH]cn1)C(=O)c1cc2ccccc2[nH]1 | 10.1021/jm9000693 | ||
| 42626109 | 179178 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 324 | 6 | 4 | 2 | 1.5 | N/C(=N\C(=O)Cc1c[nH]c2ccccc12)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL474447 | 179178 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 324 | 6 | 4 | 2 | 1.5 | N/C(=N\C(=O)Cc1c[nH]c2ccccc12)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 90667233 | 108971 | 0 | None | - | 1 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 375 | 8 | 3 | 2 | 3.0 | N/C(=N\C(=O)CC(c1ccccc1)c1ccccc1)NCCCc1cn[nH]c1 | 10.1039/C3MD00245D | ||
| CHEMBL3220634 | 108971 | 0 | None | - | 1 | Guinea pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 375 | 8 | 3 | 2 | 3.0 | N/C(=N\C(=O)CC(c1ccccc1)c1ccccc1)NCCCc1cn[nH]c1 | 10.1039/C3MD00245D | ||
| 42625303 | 180174 | 0 | None | - | 2 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 223 | 5 | 3 | 2 | 0.2 | CCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL475621 | 180174 | 0 | None | - | 2 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 223 | 5 | 3 | 2 | 0.2 | CCC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 90667235 | 108973 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 376 | 8 | 3 | 3 | 2.4 | N/C(=N\C(=O)CC(c1ccccc1)c1ccccc1)NCCCc1ncn[nH]1 | 10.1039/C3MD00245D | ||
| CHEMBL3220636 | 108973 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 376 | 8 | 3 | 3 | 2.4 | N/C(=N\C(=O)CC(c1ccccc1)c1ccccc1)NCCCc1ncn[nH]1 | 10.1039/C3MD00245D | ||
| 1204 | 1893 | 114 | None | -173 | 25 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | ||
| 1247 | 1893 | 114 | None | -173 | 25 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | ||
| 1375 | 1893 | 114 | None | -173 | 25 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | ||
| 774 | 1893 | 114 | None | -173 | 25 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | ||
| CHEMBL90 | 1893 | 114 | None | -173 | 25 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | ||
| DB05381 | 1893 | 114 | None | -173 | 25 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm020415q | ||
| 90667232 | 108970 | 0 | None | - | 1 | Guinea pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1cn[nH]c1)c1ccccc1 | 10.1039/C3MD00245D | ||
| CHEMBL3220633 | 108970 | 0 | None | - | 1 | Guinea pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1cn[nH]c1)c1ccccc1 | 10.1039/C3MD00245D | ||
| 25149521 | 178464 | 0 | None | - | 1 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 375 | 8 | 4 | 3 | 3.2 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccccc1 | 10.1021/jm800841w | ||
| CHEMBL471413 | 178464 | 0 | None | - | 1 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 375 | 8 | 4 | 3 | 3.2 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccccc1 | 10.1021/jm800841w | ||
| 25149335 | 183633 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm800841w | ||
| CHEMBL483406 | 183633 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm800841w | ||
| 25149335 | 183633 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm9000693 | ||
| CHEMBL483406 | 183633 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/jm9000693 | ||
| 25149335 | 183633 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1039/C3MD00245D | ||
| CHEMBL483406 | 183633 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1039/C3MD00245D | ||
| 10374457 | 28667 | 2 | None | - | 2 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 123 | 1 | 2 | 2 | 0.2 | N[C@H]1C[C@@H]1c1c[nH]cn1 | 10.1021/jm020415q | ||
| CHEMBL13795 | 28667 | 2 | None | - | 2 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 123 | 1 | 2 | 2 | 0.2 | N[C@H]1C[C@@H]1c1c[nH]cn1 | 10.1021/jm020415q | ||
| 42625384 | 169195 | 0 | None | - | 2 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 209 | 4 | 3 | 2 | -0.2 | CC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL443896 | 169195 | 0 | None | - | 2 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 209 | 4 | 3 | 2 | -0.2 | CC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 90667234 | 108972 | 0 | None | - | 2 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 314 | 7 | 3 | 3 | 1.4 | CC(CC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1039/C3MD00245D | ||
| CHEMBL3220635 | 108972 | 0 | None | - | 2 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 314 | 7 | 3 | 3 | 1.4 | CC(CC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1039/C3MD00245D | ||
| 25149521 | 178464 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 375 | 8 | 4 | 3 | 3.2 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccccc1 | 10.1021/jm800841w | ||
| CHEMBL471413 | 178464 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 375 | 8 | 4 | 3 | 3.2 | N=C(NCCCc1c[nH]cn1)NC(=O)CC(c1ccccc1)c1ccccc1 | 10.1021/jm800841w | ||
| 42625221 | 188987 | 0 | None | - | 2 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 338 | 7 | 4 | 2 | 1.9 | N/C(=N\C(=O)CCc1c[nH]c2ccccc12)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL514641 | 188987 | 0 | None | - | 2 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 338 | 7 | 4 | 2 | 1.9 | N/C(=N\C(=O)CCc1c[nH]c2ccccc12)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 42626111 | 189092 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 381 | 8 | 5 | 3 | 1.1 | N/C(=N\C(=O)CCNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL515428 | 189092 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 381 | 8 | 5 | 3 | 1.1 | N/C(=N\C(=O)CCNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 90667262 | 108979 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 324 | 7 | 2 | 2 | 2.6 | CC(CC(=O)/N=C(\N)NCCCc1ccccn1)c1ccccc1 | 10.1039/C3MD00245D | ||
| CHEMBL3220665 | 108979 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 324 | 7 | 2 | 2 | 2.6 | CC(CC(=O)/N=C(\N)NCCCc1ccccn1)c1ccccc1 | 10.1039/C3MD00245D | ||
| 11829635 | 162676 | 4 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 151 | 3 | 2 | 2 | 0.9 | NCC[C@H]1C[C@H]1c1c[nH]cn1 | 10.1021/jm020415q | ||
| CHEMBL418470 | 162676 | 4 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 151 | 3 | 2 | 2 | 0.9 | NCC[C@H]1C[C@H]1c1c[nH]cn1 | 10.1021/jm020415q | ||
| 42625222 | 179180 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 367 | 7 | 5 | 3 | 0.7 | N/C(=N\C(=O)CNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| CHEMBL474449 | 179180 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 367 | 7 | 5 | 3 | 0.7 | N/C(=N\C(=O)CNC(=O)c1cc2ccccc2[nH]1)NCCCc1c[nH]cn1 | 10.1021/jm9000693 | ||
| 11539632 | 70202 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 447 | 8 | 1 | 5 | 4.8 | Cc1cc(OCCN(C)C)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12 | 10.1021/jm050103y | ||
| CHEMBL194837 | 70202 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 447 | 8 | 1 | 5 | 4.8 | Cc1cc(OCCN(C)C)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12 | 10.1021/jm050103y | ||
| 132609385 | 157538 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | COc1ccc(CN2CCCN(Cc3ccccc3)[C@@H](C)C2)cc1 | 10.1016/j.bmc.2017.07.027 | ||
| CHEMBL4086541 | 157538 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 324 | 5 | 0 | 3 | 3.8 | COc1ccc(CN2CCCN(Cc3ccccc3)[C@@H](C)C2)cc1 | 10.1016/j.bmc.2017.07.027 | ||
| 1231 | 922 | 112 | None | -2 | 8 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.11.014 | ||
| 2756 | 922 | 112 | None | -2 | 8 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.11.014 | ||
| 645 | 922 | 112 | None | -2 | 8 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.11.014 | ||
| CHEMBL30 | 922 | 112 | None | -2 | 8 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.11.014 | ||
| DB00501 | 922 | 112 | None | -2 | 8 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.11.014 | ||
| 1231 | 922 | 112 | None | -2 | 8 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.03.006 | ||
| 2756 | 922 | 112 | None | -2 | 8 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.03.006 | ||
| 645 | 922 | 112 | None | -2 | 8 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.03.006 | ||
| CHEMBL30 | 922 | 112 | None | -2 | 8 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.03.006 | ||
| DB00501 | 922 | 112 | None | -2 | 8 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2016.03.006 | ||
| 17747460 | 60985 | 8 | None | - | 4 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 640 | 14 | 0 | 6 | 7.8 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | ||
| CHEMBL1767164 | 60985 | 8 | None | - | 4 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 640 | 14 | 0 | 6 | 7.8 | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 | 10.1021/jm1013874 | ||
| 10205121 | 66344 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 464 | 6 | 1 | 4 | 6.5 | O=C(O)c1cccc(CN2CCC(c3cn(Cc4ccc(Cl)s4)c4ccccc34)CC2)c1 | 10.1021/jm0498203 | ||
| CHEMBL185489 | 66344 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 464 | 6 | 1 | 4 | 6.5 | O=C(O)c1cccc(CN2CCC(c3cn(Cc4ccc(Cl)s4)c4ccccc34)CC2)c1 | 10.1021/jm0498203 | ||
| 10138404 | 136346 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 444 | 8 | 1 | 5 | 5.2 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccco3)c3ccccc23)CC1 | 10.1021/jm0498203 | ||
| CHEMBL374218 | 136346 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 444 | 8 | 1 | 5 | 5.2 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccco3)c3ccccc23)CC1 | 10.1021/jm0498203 | ||
| 9932752 | 141439 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 436 | 8 | 1 | 4 | 5.1 | O=C(O)c1ccccc1OCCN1CCC(c2cn(CC3CC3)c3cc(F)ccc23)CC1 | 10.1021/jm0498203 | ||
| CHEMBL387391 | 141439 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 436 | 8 | 1 | 4 | 5.1 | O=C(O)c1ccccc1OCCN1CCC(c2cn(CC3CC3)c3cc(F)ccc23)CC1 | 10.1021/jm0498203 | ||
| 44326821 | 206164 | 0 | None | - | 0 | Rat | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 559 | 12 | 5 | 6 | 2.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)C | 10.1021/jm00381a002 | ||
| CHEMBL96738 | 206164 | 0 | None | - | 0 | Rat | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 559 | 12 | 5 | 6 | 2.2 | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)C | 10.1021/jm00381a002 | ||
| CHEMBL95063 | 214130 | 0 | None | - | 0 | Rat | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||||
| 135 | 2486 | 38 | None | -39 | 58 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 1796 | 2486 | 38 | None | -39 | 58 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 4184 | 2486 | 38 | None | -39 | 58 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| CHEMBL6437 | 2486 | 38 | None | -39 | 58 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| DB06148 | 2486 | 38 | None | -39 | 58 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 1231 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2010.07.034 | ||
| 2756 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2010.07.034 | ||
| 645 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2010.07.034 | ||
| CHEMBL30 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2010.07.034 | ||
| DB00501 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2010.07.034 | ||
| 11785584 | 136428 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.5 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccc(Cl)s3)c3cc(F)ccc23)CC1 | 10.1021/jm0498203 | ||
| CHEMBL374459 | 136428 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.5 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccc(Cl)s3)c3cc(F)ccc23)CC1 | 10.1021/jm0498203 | ||
| 10885636 | 110514 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 503 | 9 | 0 | 4 | 5.7 | N#Cc1ccc(CCOC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | ||
| CHEMBL326263 | 110514 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 503 | 9 | 0 | 4 | 5.7 | N#Cc1ccc(CCOC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | ||
| 1588 | 2284 | 24 | None | -323 | 44 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| 28864 | 2284 | 24 | None | -323 | 44 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| 43 | 2284 | 24 | None | -323 | 44 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| CHEMBL157138 | 2284 | 24 | None | -323 | 44 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| DB00589 | 2284 | 24 | None | -323 | 44 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| 176 | 394 | 63 | None | -6 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2157 | 394 | 63 | None | -6 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2566 | 394 | 63 | None | -6 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| CHEMBL633 | 394 | 63 | None | -6 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| DB01118 | 394 | 63 | None | -6 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 657255 | 197396 | 29 | None | -3 | 15 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
| CHEMBL588119 | 197396 | 29 | None | -3 | 15 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
| 124087 | 1357 | 106 | None | -29 | 15 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 7157 | 1357 | 106 | None | -29 | 15 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 814 | 1357 | 106 | None | -29 | 15 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| CHEMBL1172 | 1357 | 106 | None | -29 | 15 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| DB00967 | 1357 | 106 | None | -29 | 15 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 11057 | 175565 | 19 | None | -2 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| 3468 | 175565 | 19 | None | -2 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| CHEMBL459265 | 175565 | 19 | None | -2 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| CHEMBL64894 | 175565 | 19 | None | -2 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| 2286 | 3122 | 48 | None | -26 | 30 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 4927 | 3122 | 48 | None | -26 | 30 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 7282 | 3122 | 48 | None | -26 | 30 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| CHEMBL643 | 3122 | 48 | None | -26 | 30 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| DB01069 | 3122 | 48 | None | -26 | 30 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 1353 | 1872 | 85 | None | -131 | 86 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 3559 | 1872 | 85 | None | -131 | 86 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 86 | 1872 | 85 | None | -131 | 86 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| CHEMBL54 | 1872 | 85 | None | -131 | 86 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| DB00502 | 1872 | 85 | None | -131 | 86 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 11362693 | 141068 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 440 | 9 | 1 | 5 | 4.4 | COCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(F)cc21 | 10.1021/jm0498203 | ||
| CHEMBL385133 | 141068 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 440 | 9 | 1 | 5 | 4.4 | COCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(F)cc21 | 10.1021/jm0498203 | ||
| 1201549 | 590 | 22 | None | -74 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 333 | 590 | 22 | None | -74 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 7601 | 590 | 22 | None | -74 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1201203 | 590 | 22 | None | -74 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL438151 | 590 | 22 | None | -74 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| DB00245 | 590 | 22 | None | -74 | 20 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 1212 | 1624 | 45 | None | -323 | 66 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 204 | 1624 | 45 | None | -323 | 66 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 3372 | 1624 | 45 | None | -323 | 66 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL726 | 1624 | 45 | None | -323 | 66 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| DB00623 | 1624 | 45 | None | -323 | 66 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 9889247 | 84323 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.6 | CCOCCn1cc(C2CCN(CCOc3cccc(C(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| CHEMBL223024 | 84323 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.6 | CCOCCn1cc(C2CCN(CCOc3cccc(C(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| 11071079 | 110091 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 496 | 9 | 0 | 3 | 6.0 | O=C(OCCc1ccc(F)cc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm010878g | ||
| CHEMBL325516 | 110091 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 496 | 9 | 0 | 3 | 6.0 | O=C(OCCc1ccc(F)cc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm010878g | ||
| 10202996 | 84205 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 430 | 6 | 1 | 4 | 5.8 | O=C(O)c1cccc(CN2CCC(c3cn(Cc4cccs4)c4ccccc34)CC2)c1 | 10.1021/jm0498203 | ||
| CHEMBL222372 | 84205 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 430 | 6 | 1 | 4 | 5.8 | O=C(O)c1cccc(CN2CCC(c3cn(Cc4cccs4)c4ccccc34)CC2)c1 | 10.1021/jm0498203 | ||
| 11113605 | 10392 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 480 | 9 | 0 | 2 | 5.8 | O=C(CCc1ccc(F)cc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm010878g | ||
| CHEMBL116735 | 10392 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 480 | 9 | 0 | 2 | 5.8 | O=C(CCc1ccc(F)cc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm010878g | ||
| 11329753 | 84126 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 514 | 10 | 1 | 5 | 5.4 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cccc(Br)c21 | 10.1021/jm0498203 | ||
| CHEMBL222083 | 84126 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 514 | 10 | 1 | 5 | 5.4 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cccc(Br)c21 | 10.1021/jm0498203 | ||
| 1231 | 922 | 112 | None | -2 | 8 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | ||
| 2756 | 922 | 112 | None | -2 | 8 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | ||
| 645 | 922 | 112 | None | -2 | 8 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | ||
| CHEMBL30 | 922 | 112 | None | -2 | 8 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | ||
| DB00501 | 922 | 112 | None | -2 | 8 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | ||
| 104903 | 56035 | 14 | None | -5 | 6 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | nan | ||
| CHEMBL1630578 | 56035 | 14 | None | -5 | 6 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | nan | ||
| 72548703 | 161007 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | ||
| CHEMBL4128926 | 161007 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | ||
| 2389 | 3267 | 114 | None | -346 | 68 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 5073 | 3267 | 114 | None | -346 | 68 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 96 | 3267 | 114 | None | -346 | 68 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| CHEMBL85 | 3267 | 114 | None | -346 | 68 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| DB00734 | 3267 | 114 | None | -346 | 68 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 10139591 | 84203 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 462 | 7 | 1 | 5 | 5.5 | COc1ccc(CN2CCC(c3cn(Cc4ccoc4)c4cc(F)ccc34)CC2)cc1C(=O)O | 10.1021/jm0498203 | ||
| CHEMBL222356 | 84203 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 462 | 7 | 1 | 5 | 5.5 | COc1ccc(CN2CCC(c3cn(Cc4ccoc4)c4cc(F)ccc34)CC2)cc1C(=O)O | 10.1021/jm0498203 | ||
| 11329754 | 141438 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 514 | 10 | 1 | 5 | 5.4 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cc(Br)ccc21 | 10.1021/jm0498203 | ||
| CHEMBL387390 | 141438 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 514 | 10 | 1 | 5 | 5.4 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cc(Br)ccc21 | 10.1021/jm0498203 | ||
| CHEMBL96946 | 214135 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||||
| 57469 | 18663 | 120 | None | -1 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | nan | ||
| CHEMBL1282 | 18663 | 120 | None | -1 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | nan | ||
| 3198 | 203792 | 73 | None | -19 | 34 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1201049 | 203792 | 73 | None | -19 | 34 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL808 | 203792 | 73 | None | -19 | 34 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 3042 | 1381 | 31 | None | -53 | 15 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 355 | 1381 | 31 | None | -53 | 15 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 868 | 1381 | 31 | None | -53 | 15 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| CHEMBL1123 | 1381 | 31 | None | -53 | 15 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| DB00804 | 1381 | 31 | None | -53 | 15 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 2247 | 502 | 77 | None | -56 | 42 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 249 | 502 | 77 | None | -56 | 42 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 2603 | 502 | 77 | None | -56 | 42 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| CHEMBL296419 | 502 | 77 | None | -56 | 42 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| DB00637 | 502 | 77 | None | -56 | 42 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 9822631 | 122431 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 406 | 8 | 1 | 4 | 4.8 | CCOCCn1cc(C2CCN(Cc3cccc(C(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| CHEMBL360791 | 122431 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 406 | 8 | 1 | 4 | 4.8 | CCOCCn1cc(C2CCN(Cc3cccc(C(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| 1231 | 922 | 112 | None | -2 | 8 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | ||
| 2756 | 922 | 112 | None | -2 | 8 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | ||
| 645 | 922 | 112 | None | -2 | 8 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | ||
| CHEMBL30 | 922 | 112 | None | -2 | 8 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | ||
| DB00501 | 922 | 112 | None | -2 | 8 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | ||
| 10141470 | 123027 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 494 | 8 | 1 | 5 | 6.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccc(Cl)s3)c3ccccc23)CC1 | 10.1021/jm0498203 | ||
| CHEMBL361805 | 123027 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 494 | 8 | 1 | 5 | 6.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccc(Cl)s3)c3ccccc23)CC1 | 10.1021/jm0498203 | ||
| 3158 | 55959 | 21 | None | -12589 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| CHEMBL1628227 | 55959 | 21 | None | -12589 | 20 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| 11476077 | 135871 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.5 | CCOCCn1cc(C2CCN(Cc3cccc(OCC(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| CHEMBL373534 | 135871 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.5 | CCOCCn1cc(C2CCN(Cc3cccc(OCC(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| 5291 | 205694 | 115 | None | -1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 493 | 7 | 2 | 7 | 4.6 | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | nan | ||
| CHEMBL941 | 205694 | 115 | None | -1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 493 | 7 | 2 | 7 | 4.6 | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | nan | ||
| 277 | 1269 | 55 | None | -43 | 46 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 2913 | 1269 | 55 | None | -43 | 46 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 765 | 1269 | 55 | None | -43 | 46 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| CHEMBL516 | 1269 | 55 | None | -43 | 46 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| DB00434 | 1269 | 55 | None | -43 | 46 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 11730467 | 10910 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 476 | 10 | 0 | 2 | 6.0 | O=C(CCCc1ccccc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm010878g | ||
| CHEMBL117537 | 10910 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 476 | 10 | 0 | 2 | 6.0 | O=C(CCCc1ccccc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm010878g | ||
| CHEMBL328512 | 209541 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||||
| CHEMBL96681 | 214131 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||||
| 2801 | 161313 | 56 | None | -12 | 29 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| CHEMBL1200710 | 161313 | 56 | None | -12 | 29 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| CHEMBL415 | 161313 | 56 | None | -12 | 29 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| 11430513 | 84194 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.5 | CCOCCn1cc(C2CCN(Cc3ccccc3OCC(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| CHEMBL222217 | 84194 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.5 | CCOCCn1cc(C2CCN(Cc3ccccc3OCC(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| 10140544 | 141095 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 478 | 9 | 1 | 6 | 4.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(CCC3COCCO3)c3ccccc23)CC1 | 10.1021/jm0498203 | ||
| CHEMBL385311 | 141095 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 478 | 9 | 1 | 6 | 4.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(CCC3COCCO3)c3ccccc23)CC1 | 10.1021/jm0498203 | ||
| 11189839 | 83903 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 438 | 9 | 1 | 4 | 5.5 | CCCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(F)cc21 | 10.1021/jm0498203 | ||
| CHEMBL221664 | 83903 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 438 | 9 | 1 | 4 | 5.5 | CCCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(F)cc21 | 10.1021/jm0498203 | ||
| 3823 | 49936 | 38 | None | -66 | 11 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 76973198 | 49936 | 38 | None | -66 | 11 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| CHEMBL157101 | 49936 | 38 | None | -66 | 11 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 1235 | 3751 | 32 | None | -3 | 5 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1016/j.bmcl.2013.01.025 | ||
| 3959 | 3751 | 32 | None | -3 | 5 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1016/j.bmcl.2013.01.025 | ||
| 50287 | 3751 | 32 | None | -3 | 5 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1016/j.bmcl.2013.01.025 | ||
| CHEMBL269646 | 3751 | 32 | None | -3 | 5 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1016/j.bmcl.2013.01.025 | ||
| 11166846 | 83871 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 450 | 10 | 1 | 5 | 4.9 | CCOCCn1cc(C2CCN(CCOc3ccc(C)cc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| CHEMBL221462 | 83871 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 450 | 10 | 1 | 5 | 4.9 | CCOCCn1cc(C2CCN(CCOc3ccc(C)cc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| 4543 | 169972 | 36 | None | -22 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL1201156 | 169972 | 36 | None | -22 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL445 | 169972 | 36 | None | -22 | 30 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL44345 | 212164 | 0 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||||
| 2060890 | 201350 | 26 | None | - | 0 | Rat | 3.6 | pIC50 | = | 3.6 | Binding | ChEMBL | 342 | 5 | 3 | 2 | 3.2 | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1 | 10.1021/jm00381a002 | ||
| CHEMBL63544 | 201350 | 26 | None | - | 0 | Rat | 3.6 | pIC50 | = | 3.6 | Binding | ChEMBL | 342 | 5 | 3 | 2 | 3.2 | O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1 | 10.1021/jm00381a002 | ||
| 2281 | 3114 | 76 | None | - | 0 | Rat | 2.6 | pIC50 | = | 2.6 | Binding | ChEMBL | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | 10.1021/jm00381a002 | ||
| 4922 | 3114 | 76 | None | - | 0 | Rat | 2.6 | pIC50 | = | 2.6 | Binding | ChEMBL | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | 10.1021/jm00381a002 | ||
| 893 | 3114 | 76 | None | - | 0 | Rat | 2.6 | pIC50 | = | 2.6 | Binding | ChEMBL | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | 10.1021/jm00381a002 | ||
| CHEMBL316561 | 3114 | 76 | None | - | 0 | Rat | 2.6 | pIC50 | = | 2.6 | Binding | ChEMBL | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | 10.1021/jm00381a002 | ||
| DB13431 | 3114 | 76 | None | - | 0 | Rat | 2.6 | pIC50 | = | 2.6 | Binding | ChEMBL | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | 10.1021/jm00381a002 | ||
| 2520 | 202301 | 65 | None | -20 | 12 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
| CHEMBL1280 | 202301 | 65 | None | -20 | 12 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
| CHEMBL6966 | 202301 | 65 | None | -20 | 12 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
| 11293983 | 83861 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 454 | 10 | 1 | 5 | 4.8 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(F)cc21 | 10.1021/jm0498203 | ||
| CHEMBL221413 | 83861 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 454 | 10 | 1 | 5 | 4.8 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(F)cc21 | 10.1021/jm0498203 | ||
| 2726 | 904 | 64 | None | -85 | 73 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 621 | 904 | 64 | None | -85 | 73 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 83 | 904 | 64 | None | -85 | 73 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL71 | 904 | 64 | None | -85 | 73 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| DB00477 | 904 | 64 | None | -85 | 73 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 118139356 | 179133 | 20 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 435 | 7 | 2 | 7 | 3.2 | Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)N1CC(OC(C)C)C1 | 10.1021/acs.jmedchem.0c00702 | ||
| CHEMBL4744041 | 179133 | 20 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 435 | 7 | 2 | 7 | 3.2 | Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)N1CC(OC(C)C)C1 | 10.1021/acs.jmedchem.0c00702 | ||
| 1231 | 922 | 112 | None | -2 | 8 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2013.03.016 | ||
| 2756 | 922 | 112 | None | -2 | 8 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2013.03.016 | ||
| 645 | 922 | 112 | None | -2 | 8 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2013.03.016 | ||
| CHEMBL30 | 922 | 112 | None | -2 | 8 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2013.03.016 | ||
| DB00501 | 922 | 112 | None | -2 | 8 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmc.2013.03.016 | ||
| 18609376 | 202646 | 61 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
| 6279 | 202646 | 61 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
| CHEMBL717 | 202646 | 61 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
| 2284 | 3121 | 27 | None | -53 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 4926 | 3121 | 27 | None | -53 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 7281 | 3121 | 27 | None | -53 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| CHEMBL564 | 3121 | 27 | None | -53 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| DB00420 | 3121 | 27 | None | -53 | 29 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 11443495 | 83918 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 504 | 10 | 1 | 5 | 5.7 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(C(F)(F)F)cc21 | 10.1021/jm0498203 | ||
| CHEMBL221718 | 83918 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 504 | 10 | 1 | 5 | 5.7 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccc(C(F)(F)F)cc21 | 10.1021/jm0498203 | ||
| 10298838 | 168218 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 469 | 9 | 1 | 5 | 5.2 | O=C(O)c1ccccc1OCCN1CCC(c2cn(CCc3ccccn3)c3ccccc23)CC1 | 10.1021/jm0498203 | ||
| CHEMBL437519 | 168218 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 469 | 9 | 1 | 5 | 5.2 | O=C(O)c1ccccc1OCCN1CCC(c2cn(CCc3ccccn3)c3ccccc23)CC1 | 10.1021/jm0498203 | ||
| 3191 | 102372 | 93 | None | -24 | 25 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| CHEMBL305660 | 102372 | 93 | None | -24 | 25 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| 10162727 | 84181 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 478 | 7 | 1 | 5 | 6.0 | COc1ccc(CN2CCC(c3cn(Cc4cccs4)c4cc(F)ccc34)CC2)cc1C(=O)O | 10.1021/jm0498203 | ||
| CHEMBL222139 | 84181 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 478 | 7 | 1 | 5 | 6.0 | COc1ccc(CN2CCC(c3cn(Cc4cccs4)c4cc(F)ccc34)CC2)cc1C(=O)O | 10.1021/jm0498203 | ||
| CHEMBL2370238 | 208056 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCCC[C@H]1C(=O)O | 10.1021/jm00381a002 | ||||
| CHEMBL262692 | 208790 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||||
| CHEMBL289310 | 209116 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||||
| CHEMBL318221 | 209456 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O | 10.1021/jm00381a002 | ||||
| CHEMBL91765 | 214117 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||||
| 11211919 | 84315 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 406 | 8 | 1 | 4 | 4.8 | CCOCCn1cc(C2CCN(Cc3ccccc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| CHEMBL222984 | 84315 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 406 | 8 | 1 | 4 | 4.8 | CCOCCn1cc(C2CCN(Cc3ccccc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| 10279311 | 83919 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 512 | 7 | 1 | 5 | 6.6 | COc1ccc(CN2CCC(c3cn(Cc4ccc(Cl)s4)c4cc(F)ccc34)CC2)cc1C(=O)O | 10.1021/jm0498203 | ||
| CHEMBL221730 | 83919 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 512 | 7 | 1 | 5 | 6.6 | COc1ccc(CN2CCC(c3cn(Cc4ccc(Cl)s4)c4cc(F)ccc34)CC2)cc1C(=O)O | 10.1021/jm0498203 | ||
| 1599 | 2299 | 47 | None | -154 | 16 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 3955 | 2299 | 47 | None | -154 | 16 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 7215 | 2299 | 47 | None | -154 | 16 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL841 | 2299 | 47 | None | -154 | 16 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| DB00836 | 2299 | 47 | None | -154 | 16 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 11247939 | 136568 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 450 | 10 | 1 | 5 | 4.9 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cccc(C)c21 | 10.1021/jm0498203 | ||
| CHEMBL374754 | 136568 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 450 | 10 | 1 | 5 | 4.9 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cccc(C)c21 | 10.1021/jm0498203 | ||
| 10226501 | 137335 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 460 | 7 | 1 | 5 | 5.8 | COc1ccc(CN2CCC(c3cn(Cc4cccs4)c4ccccc34)CC2)cc1C(=O)O | 10.1021/jm0498203 | ||
| CHEMBL376202 | 137335 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 460 | 7 | 1 | 5 | 5.8 | COc1ccc(CN2CCC(c3cn(Cc4cccs4)c4ccccc34)CC2)cc1C(=O)O | 10.1021/jm0498203 | ||
| 11282005 | 65720 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.6 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| CHEMBL183706 | 65720 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.6 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| CHEMBL330142 | 209570 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||||
| 237 | 203147 | 43 | None | -3 | 13 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL546257 | 203147 | 43 | None | -3 | 13 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL554190 | 203147 | 43 | None | -3 | 13 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL7568 | 203147 | 43 | None | -3 | 13 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| 135398737 | 942 | 89 | None | -64 | 92 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 38 | 942 | 89 | None | -64 | 92 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 722 | 942 | 89 | None | -64 | 92 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| CHEMBL42 | 942 | 89 | None | -64 | 92 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| DB00363 | 942 | 89 | None | -64 | 92 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 11005810 | 10352 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 517 | 10 | 1 | 4 | 6.2 | N#Cc1ccc(CCOC(=O)NC2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | ||
| CHEMBL116463 | 10352 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 517 | 10 | 1 | 4 | 6.2 | N#Cc1ccc(CCOC(=O)NC2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | ||
| 26987 | 934 | 29 | None | -177 | 21 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 6063 | 934 | 29 | None | -177 | 21 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 671 | 934 | 29 | None | -177 | 21 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| CHEMBL1626 | 934 | 29 | None | -177 | 21 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| DB00283 | 934 | 29 | None | -177 | 21 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 11212029 | 84182 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 410 | 7 | 1 | 4 | 4.5 | COCCn1cc(C2CCN(Cc3cccc(C(=O)O)c3)CC2)c2ccc(F)cc21 | 10.1021/jm0498203 | ||
| CHEMBL222142 | 84182 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 410 | 7 | 1 | 4 | 4.5 | COCCn1cc(C2CCN(Cc3cccc(C(=O)O)c3)CC2)c2ccc(F)cc21 | 10.1021/jm0498203 | ||
| 11259138 | 84574 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.5 | CCOCCn1cc(C2CCN(Cc3ccc(OCC(=O)O)cc3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| CHEMBL223882 | 84574 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.5 | CCOCCn1cc(C2CCN(Cc3ccc(OCC(=O)O)cc3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| 4011 | 81982 | 43 | None | -27 | 24 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| CHEMBL21731 | 81982 | 43 | None | -27 | 24 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| CHEMBL94917 | 214128 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||||
| 1530 | 2142 | 44 | None | -151 | 21 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 3827 | 2142 | 44 | None | -151 | 21 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 7206 | 2142 | 44 | None | -151 | 21 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| CHEMBL534 | 2142 | 44 | None | -151 | 21 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| DB00920 | 2142 | 44 | None | -151 | 21 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 1129 | 1584 | 89 | None | 1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
| 3325 | 1584 | 89 | None | 1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
| 5353622 | 1584 | 89 | None | 1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
| 5702160 | 1584 | 89 | None | 1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
| 7074 | 1584 | 89 | None | 1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
| CHEMBL902 | 1584 | 89 | None | 1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
| DB00927 | 1584 | 89 | None | 1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
| 10161929 | 136650 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 464 | 9 | 1 | 6 | 4.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(CCC3OCCO3)c3ccccc23)CC1 | 10.1021/jm0498203 | ||
| CHEMBL374869 | 136650 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 464 | 9 | 1 | 6 | 4.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(CCC3OCCO3)c3ccccc23)CC1 | 10.1021/jm0498203 | ||
| 1231 | 922 | 112 | None | -2 | 8 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | ||
| 2756 | 922 | 112 | None | -2 | 8 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | ||
| 645 | 922 | 112 | None | -2 | 8 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | ||
| CHEMBL30 | 922 | 112 | None | -2 | 8 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | ||
| DB00501 | 922 | 112 | None | -2 | 8 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | ||
| 11238716 | 83862 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 592 | 10 | 1 | 5 | 6.2 | CCOCCn1cc(C2CCN(CCOc3c(Br)cc(Br)cc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| CHEMBL221414 | 83862 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 592 | 10 | 1 | 5 | 6.2 | CCOCCn1cc(C2CCN(CCOc3c(Br)cc(Br)cc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| 10204866 | 84298 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 460 | 8 | 1 | 5 | 5.7 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3cccs3)c3ccccc23)CC1 | 10.1021/jm0498203 | ||
| CHEMBL222881 | 84298 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 460 | 8 | 1 | 5 | 5.7 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3cccs3)c3ccccc23)CC1 | 10.1021/jm0498203 | ||
| 11396873 | 136448 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 454 | 10 | 1 | 5 | 4.8 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cc(F)ccc21 | 10.1021/jm0498203 | ||
| CHEMBL374585 | 136448 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 454 | 10 | 1 | 5 | 4.8 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cc(F)ccc21 | 10.1021/jm0498203 | ||
| 44326564 | 206126 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 531 | 12 | 6 | 6 | 1.6 | CC(C)CC(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||
| CHEMBL96530 | 206126 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 531 | 12 | 6 | 6 | 1.6 | CC(C)CC(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||
| CHEMBL1790763 | 207152 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||||
| 2812 | 4696 | 96 | None | -33 | 34 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| CHEMBL104 | 4696 | 96 | None | -33 | 34 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| 10478188 | 122414 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 436 | 9 | 1 | 5 | 4.8 | CCOCCn1cc(C2CCN(Cc3ccc(OC)c(C(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| CHEMBL360712 | 122414 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 436 | 9 | 1 | 5 | 4.8 | CCOCCn1cc(C2CCN(Cc3ccc(OC)c(C(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| 1231 | 922 | 112 | None | -2 | 8 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
| 2756 | 922 | 112 | None | -2 | 8 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
| 645 | 922 | 112 | None | -2 | 8 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
| CHEMBL30 | 922 | 112 | None | -2 | 8 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
| DB00501 | 922 | 112 | None | -2 | 8 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
| 11363750 | 84193 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 484 | 8 | 1 | 4 | 5.5 | CCOCCn1cc(C2CCN(Cc3cc(C(=O)O)ccc3Br)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| CHEMBL222214 | 84193 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 484 | 8 | 1 | 4 | 5.5 | CCOCCn1cc(C2CCN(Cc3cc(C(=O)O)ccc3Br)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| 11247290 | 136167 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 424 | 8 | 1 | 4 | 4.9 | CCOCCn1cc(C2CCN(Cc3ccc(F)c(C(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| CHEMBL374059 | 136167 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 424 | 8 | 1 | 4 | 4.9 | CCOCCn1cc(C2CCN(Cc3ccc(F)c(C(=O)O)c3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| 10273238 | 84316 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 414 | 6 | 1 | 4 | 5.4 | O=C(O)c1cccc(CN2CCC(c3cn(Cc4ccco4)c4ccccc34)CC2)c1 | 10.1021/jm0498203 | ||
| CHEMBL222985 | 84316 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 414 | 6 | 1 | 4 | 5.4 | O=C(O)c1cccc(CN2CCC(c3cn(Cc4ccco4)c4ccccc34)CC2)c1 | 10.1021/jm0498203 | ||
| 11351801 | 83917 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 466 | 11 | 1 | 6 | 4.6 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cc(OC)ccc21 | 10.1021/jm0498203 | ||
| CHEMBL221716 | 83917 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 466 | 11 | 1 | 6 | 4.6 | CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cc(OC)ccc21 | 10.1021/jm0498203 | ||
| 4189 | 205185 | 91 | None | -36 | 34 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL1559 | 205185 | 91 | None | -36 | 34 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL91 | 205185 | 91 | None | -36 | 34 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 9889248 | 84292 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.6 | CCOCCn1cc(C2CCN(CCOc3ccc(C(=O)O)cc3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| CHEMBL222853 | 84292 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 436 | 10 | 1 | 5 | 4.6 | CCOCCn1cc(C2CCN(CCOc3ccc(C(=O)O)cc3)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| 4601 | 205010 | 29 | None | -7 | 17 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL1201023 | 205010 | 29 | None | -7 | 17 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL900 | 205010 | 29 | None | -7 | 17 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL91752 | 214116 | 0 | None | - | 0 | Rat | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/jm00381a002 | ||||
| CHEMBL94448 | 214123 | 0 | None | - | 0 | Rat | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1021/jm00381a002 | ||||
| CHEMBL94902 | 214126 | 1 | None | - | 0 | Rat | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O | 10.1021/jm00381a002 | ||||
| 180 | 397 | 50 | None | -1412 | 39 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 200 | 397 | 50 | None | -1412 | 39 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 2160 | 397 | 50 | None | -1412 | 39 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| CHEMBL629 | 397 | 50 | None | -1412 | 39 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| DB00321 | 397 | 50 | None | -1412 | 39 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 10907460 | 9720 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 521 | 11 | 1 | 3 | 5.8 | CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | ||
| CHEMBL113956 | 9720 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 521 | 11 | 1 | 3 | 5.8 | CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1021/jm010878g | ||
| 11340290 | 64018 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 466 | 11 | 1 | 6 | 4.6 | CCOCCn1cc(C2CCN(CCOc3cc(OC)ccc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| CHEMBL181278 | 64018 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 466 | 11 | 1 | 6 | 4.6 | CCOCCn1cc(C2CCN(CCOc3cc(OC)ccc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| 1231 | 922 | 112 | None | -2 | 8 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm701575k | ||
| 2756 | 922 | 112 | None | -2 | 8 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm701575k | ||
| 645 | 922 | 112 | None | -2 | 8 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm701575k | ||
| CHEMBL30 | 922 | 112 | None | -2 | 8 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm701575k | ||
| DB00501 | 922 | 112 | None | -2 | 8 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm701575k | ||
| 1210 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 1213 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 2725 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 33036 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 4411 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 616 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 6976 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 716121 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 90475904 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1201353 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1554789 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL505 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB01114 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB13679 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 11328514 | 137320 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 454 | 10 | 1 | 5 | 4.8 | CCOCCn1cc(C2CCN(CCOc3cccc(F)c3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| CHEMBL376025 | 137320 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 454 | 10 | 1 | 5 | 4.8 | CCOCCn1cc(C2CCN(CCOc3cccc(F)c3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| 9804849 | 67102 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 472 | 8 | 1 | 5 | 5.1 | Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 | 10.1021/jm050103y | ||
| CHEMBL189118 | 67102 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 472 | 8 | 1 | 5 | 5.1 | Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 | 10.1021/jm050103y | ||
| 10139592 | 84566 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 462 | 8 | 1 | 5 | 5.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccco3)c3cc(F)ccc23)CC1 | 10.1021/jm0498203 | ||
| CHEMBL223837 | 84566 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 462 | 8 | 1 | 5 | 5.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccco3)c3cc(F)ccc23)CC1 | 10.1021/jm0498203 | ||
| 11385692 | 136512 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 462 | 8 | 1 | 5 | 5.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccoc3)c3cc(F)ccc23)CC1 | 10.1021/jm0498203 | ||
| CHEMBL374675 | 136512 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 462 | 8 | 1 | 5 | 5.4 | O=C(O)c1ccccc1OCCN1CCC(c2cn(Cc3ccoc3)c3cc(F)ccc23)CC1 | 10.1021/jm0498203 | ||
| 9802248 | 165679 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 420 | 9 | 1 | 4 | 5.4 | CCCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| CHEMBL426786 | 165679 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 420 | 9 | 1 | 4 | 5.4 | CCCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| 1016 | 3678 | 75 | None | -41 | 35 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2561 | 3678 | 75 | None | -41 | 35 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2733526 | 3678 | 75 | None | -41 | 35 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 5384 | 3678 | 75 | None | -41 | 35 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| CHEMBL83 | 3678 | 75 | None | -41 | 35 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| DB00675 | 3678 | 75 | None | -41 | 35 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 100 | 3733 | 52 | None | -46 | 56 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 2637 | 3733 | 52 | None | -46 | 56 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 5452 | 3733 | 52 | None | -46 | 56 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| CHEMBL479 | 3733 | 52 | None | -46 | 56 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| DB00679 | 3733 | 52 | None | -46 | 56 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 11202401 | 136570 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 478 | 11 | 1 | 6 | 4.8 | CCOCCn1cc(C2CCN(CCOc3ccc(C(C)=O)cc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| CHEMBL374755 | 136570 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 478 | 11 | 1 | 6 | 4.8 | CCOCCn1cc(C2CCN(CCOc3ccc(C(C)=O)cc3C(=O)O)CC2)c2ccccc21 | 10.1021/jm0498203 | ||
| 133 | 2450 | 48 | None | -141 | 43 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 1723 | 2450 | 48 | None | -141 | 43 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 28693 | 2450 | 48 | None | -141 | 43 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| CHEMBL19215 | 2450 | 48 | None | -141 | 43 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| DB13520 | 2450 | 48 | None | -141 | 43 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 1129 | 1584 | 89 | None | -1 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1021/jm00091a012 | ||
| 3325 | 1584 | 89 | None | -1 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1021/jm00091a012 | ||
| 5353622 | 1584 | 89 | None | -1 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1021/jm00091a012 | ||
| 5702160 | 1584 | 89 | None | -1 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1021/jm00091a012 | ||
| 7074 | 1584 | 89 | None | -1 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1021/jm00091a012 | ||
| CHEMBL902 | 1584 | 89 | None | -1 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1021/jm00091a012 | ||
| DB00927 | 1584 | 89 | None | -1 | 2 | Guinea pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | 10.1021/jm00091a012 | ||
| CHEMBL5087637 | 213769 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095891 | 213769 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 10949464 | 97724 | 0 | None | -12882 | 4 | Guinea pig | 5.0 | pKd | = | 5 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 5.5 | c1ccc2c(NCCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1 | 10.1021/jm0110845 | ||
| CHEMBL274041 | 97724 | 0 | None | -12882 | 4 | Guinea pig | 5.0 | pKd | = | 5 | Binding | ChEMBL | 403 | 10 | 1 | 4 | 5.5 | c1ccc2c(NCCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1 | 10.1021/jm0110845 | ||
| 10936212 | 11092 | 1 | None | -165 | 4 | Guinea pig | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 323 | 6 | 0 | 3 | 4.5 | CC(=O)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1 | 10.1021/jm021084k | ||
| CHEMBL1178750 | 11092 | 1 | None | -165 | 4 | Guinea pig | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 323 | 6 | 0 | 3 | 4.5 | CC(=O)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1 | 10.1021/jm021084k | ||
| CHEMBL39603 | 11092 | 1 | None | -165 | 4 | Guinea pig | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 323 | 6 | 0 | 3 | 4.5 | CC(=O)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1 | 10.1021/jm021084k | ||
| CHEMBL5093461 | 213767 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095884 | 213767 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| 126688 | 400 | 28 | None | -2 | 4 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1016/S0960-894X(01)80533-3 | ||
| 4025 | 400 | 28 | None | -2 | 4 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1016/S0960-894X(01)80533-3 | ||
| CHEMBL293762 | 400 | 28 | None | -2 | 4 | Rat | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1016/S0960-894X(01)80533-3 | ||
| 1204 | 1893 | 114 | None | -173 | 25 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1247 | 1893 | 114 | None | -173 | 25 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1375 | 1893 | 114 | None | -173 | 25 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 774 | 1893 | 114 | None | -173 | 25 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL90 | 1893 | 114 | None | -173 | 25 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| DB05381 | 1893 | 114 | None | -173 | 25 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 119570 | 3098 | 90 | None | -281 | 40 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| 2233 | 3098 | 90 | None | -281 | 40 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| 953 | 3098 | 90 | None | -281 | 40 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL301265 | 3098 | 90 | None | -281 | 40 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| DB00413 | 3098 | 90 | None | -281 | 40 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| 168268716 | 192150 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 372 | 3 | 4 | 4 | 3.5 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NC2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5170276 | 192150 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 372 | 3 | 4 | 4 | 3.5 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NC2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221176 | 192150 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 372 | 3 | 4 | 4 | 3.5 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NC2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168268680 | 192154 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5172675 | 192154 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221210 | 192154 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168268827 | 192167 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5179906 | 192167 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221314 | 192167 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168268853 | 192173 | 0 | None | -2 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5180504 | 192173 | 0 | None | -2 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221353 | 192173 | 0 | None | -2 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168273471 | 192189 | 0 | None | 12 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 596 | 17 | 8 | 10 | 0.7 | N/C(=N\C(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5173079 | 192189 | 0 | None | 12 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 596 | 17 | 8 | 10 | 0.7 | N/C(=N\C(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221433 | 192189 | 0 | None | 12 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 596 | 17 | 8 | 10 | 0.7 | N/C(=N\C(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168273549 | 192191 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5174342 | 192191 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221438 | 192191 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168273640 | 192193 | 0 | None | -6 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5176229 | 192193 | 0 | None | -6 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221444 | 192193 | 0 | None | -6 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168273745 | 192196 | 0 | None | -13 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5178472 | 192196 | 0 | None | -13 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221451 | 192196 | 0 | None | -13 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168274129 | 192197 | 0 | None | -6 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 370 | 12 | 5 | 6 | 1.0 | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5176780 | 192197 | 0 | None | -6 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 370 | 12 | 5 | 6 | 1.0 | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221468 | 192197 | 0 | None | -6 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 370 | 12 | 5 | 6 | 1.0 | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168275750 | 192214 | 0 | None | -87 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 332 | 6 | 3 | 4 | 1.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCc2ccccc2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5175558 | 192214 | 0 | None | -87 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 332 | 6 | 3 | 4 | 1.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCc2ccccc2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221581 | 192214 | 0 | None | -87 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 332 | 6 | 3 | 4 | 1.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCc2ccccc2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168276867 | 192223 | 0 | None | -1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5174278 | 192223 | 0 | None | -1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221653 | 192223 | 0 | None | -1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168277996 | 192234 | 0 | None | -20 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5173373 | 192234 | 0 | None | -20 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221736 | 192234 | 0 | None | -20 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168278471 | 192236 | 0 | None | -18 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5183205 | 192236 | 0 | None | -18 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221757 | 192236 | 0 | None | -18 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168278543 | 192239 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 358 | 4 | 4 | 4 | 1.6 | N/C(=N\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5184846 | 192239 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 358 | 4 | 4 | 4 | 1.6 | N/C(=N\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221764 | 192239 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 358 | 4 | 4 | 4 | 1.6 | N/C(=N\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168280339 | 192253 | 0 | None | -52 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 372 | 8 | 3 | 5 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCn1cc(CN(C)C)nn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5188592 | 192253 | 0 | None | -52 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 372 | 8 | 3 | 5 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCn1cc(CN(C)C)nn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221885 | 192253 | 0 | None | -52 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 372 | 8 | 3 | 5 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCn1cc(CN(C)C)nn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168281536 | 192269 | 0 | None | -9 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 369 | 12 | 4 | 5 | 1.7 | Cc1nnc(CCCN/C(N)=N/C(=O)NCCCCCCCCN)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5189006 | 192269 | 0 | None | -9 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 369 | 12 | 4 | 5 | 1.7 | Cc1nnc(CCCN/C(N)=N/C(=O)NCCCCCCCCN)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221966 | 192269 | 0 | None | -9 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 369 | 12 | 4 | 5 | 1.7 | Cc1nnc(CCCN/C(N)=N/C(=O)NCCCCCCCCN)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168281746 | 192270 | 0 | None | -676 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5184911 | 192270 | 0 | None | -676 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221974 | 192270 | 0 | None | -676 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168283097 | 192281 | 0 | None | -22 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 311 | 9 | 4 | 5 | 0.8 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)o1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5186770 | 192281 | 0 | None | -22 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 311 | 9 | 4 | 5 | 0.8 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)o1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222043 | 192281 | 0 | None | -22 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 311 | 9 | 4 | 5 | 0.8 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)o1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168283321 | 192283 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 364 | 7 | 4 | 4 | 2.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5183015 | 192283 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 364 | 7 | 4 | 4 | 2.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222057 | 192283 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 364 | 7 | 4 | 4 | 2.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168283536 | 192288 | 0 | None | -53 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 312 | 8 | 3 | 4 | 1.6 | CCCCCNC(=O)/N=C(/N)NCCCc1nnc(C)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5187758 | 192288 | 0 | None | -53 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 312 | 8 | 3 | 4 | 1.6 | CCCCCNC(=O)/N=C(/N)NCCCc1nnc(C)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222074 | 192288 | 0 | None | -53 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 312 | 8 | 3 | 4 | 1.6 | CCCCCNC(=O)/N=C(/N)NCCCc1nnc(C)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168284289 | 192294 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 428 | 8 | 4 | 4 | 3.1 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5194860 | 192294 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 428 | 8 | 4 | 4 | 3.1 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222123 | 192294 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 428 | 8 | 4 | 4 | 3.1 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168284480 | 192298 | 0 | None | -22 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 330 | 6 | 4 | 4 | 1.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5197548 | 192298 | 0 | None | -22 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 330 | 6 | 4 | 4 | 1.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222137 | 192298 | 0 | None | -22 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 330 | 6 | 4 | 4 | 1.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168286141 | 192312 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5192993 | 192312 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222231 | 192312 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168286426 | 192314 | 0 | None | -5 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5198795 | 192314 | 0 | None | -5 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222241 | 192314 | 0 | None | -5 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168290235 | 192356 | 0 | None | -1737 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5201074 | 192356 | 0 | None | -1737 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222491 | 192356 | 0 | None | -1737 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168290815 | 192361 | 0 | None | -537 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5200771 | 192361 | 0 | None | -537 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222529 | 192361 | 0 | None | -537 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168291233 | 192367 | 0 | None | -5 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 373 | 8 | 4 | 5 | 1.4 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)o2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5200106 | 192367 | 0 | None | -5 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 373 | 8 | 4 | 5 | 1.4 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)o2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222556 | 192367 | 0 | None | -5 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 373 | 8 | 4 | 5 | 1.4 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)o2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168292954 | 192385 | 0 | None | -11 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5202592 | 192385 | 0 | None | -11 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222660 | 192385 | 0 | None | -11 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294161 | 192394 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1cccc(-c2sc(N)nc2C)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5204739 | 192394 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1cccc(-c2sc(N)nc2C)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222742 | 192394 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1cccc(-c2sc(N)nc2C)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294445 | 192398 | 0 | None | -1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.6 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCC2CCc3nc(N)sc3C2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5208113 | 192398 | 0 | None | -1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.6 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCC2CCc3nc(N)sc3C2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222768 | 192398 | 0 | None | -1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.6 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCC2CCc3nc(N)sc3C2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294166 | 192402 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1ccc(-c2sc(N)nc2C)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5209081 | 192402 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1ccc(-c2sc(N)nc2C)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222775 | 192402 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1ccc(-c2sc(N)nc2C)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294449 | 192406 | 0 | None | -6 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5204599 | 192406 | 0 | None | -6 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222793 | 192406 | 0 | None | -6 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294767 | 192407 | 0 | None | -117 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5207281 | 192407 | 0 | None | -117 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222802 | 192407 | 0 | None | -117 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294770 | 192408 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5208327 | 192408 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222806 | 192408 | 0 | None | 2 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294776 | 192414 | 0 | None | -7 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 366 | 7 | 3 | 4 | 2.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCC(C)C2CCCCC2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5209479 | 192414 | 0 | None | -7 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 366 | 7 | 3 | 4 | 2.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCC(C)C2CCCCC2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222831 | 192414 | 0 | None | -7 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 366 | 7 | 3 | 4 | 2.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCC(C)C2CCCCC2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168295528 | 192419 | 0 | None | -147 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5206565 | 192419 | 0 | None | -147 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222872 | 192419 | 0 | None | -147 | 20 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294178 | 192423 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 414 | 5 | 4 | 4 | 4.4 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5205197 | 192423 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 414 | 5 | 4 | 4 | 4.4 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222887 | 192423 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 414 | 5 | 4 | 4 | 4.4 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168295541 | 192428 | 0 | None | -851 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5208845 | 192428 | 0 | None | -851 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222926 | 192428 | 0 | None | -851 | 6 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168295543 | 192429 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5209021 | 192429 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222929 | 192429 | 0 | None | 1 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168295803 | 192433 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.6 | CCCCCNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5207206 | 192433 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.6 | CCCCCNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222937 | 192433 | 0 | None | 3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.6 | CCCCCNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294182 | 192436 | 0 | None | -3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 314 | 6 | 4 | 2 | 1.7 | C[C@@H](NC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5208722 | 192436 | 0 | None | -3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 314 | 6 | 4 | 2 | 1.7 | C[C@@H](NC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222960 | 192436 | 0 | None | -3 | 4 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 314 | 6 | 4 | 2 | 1.7 | C[C@@H](NC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 156021166 | 177752 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4647775 | 177752 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4651205 | 177752 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| 156015793 | 177674 | 0 | None | - | 1 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4645867 | 177674 | 0 | None | - | 1 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4650701 | 177674 | 0 | None | - | 1 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| 14514732 | 203681 | 1 | None | - | 1 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 367 | 8 | 2 | 3 | 4.3 | O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1ccccc1 | 10.1021/jm00091a012 | ||
| CHEMBL80046 | 203681 | 1 | None | - | 1 | Guinea pig | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 367 | 8 | 2 | 3 | 4.3 | O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1ccccc1 | 10.1021/jm00091a012 | ||
| 11003651 | 98140 | 0 | None | -24547 | 3 | Guinea pig | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 5.1 | c1ccc2c(NCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1 | 10.1021/jm0110845 | ||
| CHEMBL276938 | 98140 | 0 | None | -24547 | 3 | Guinea pig | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 389 | 9 | 1 | 4 | 5.1 | c1ccc2c(NCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1 | 10.1021/jm0110845 | ||
| 90667228 | 108968 | 0 | None | - | 1 | Guinea pig | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1ncc[nH]1)c1ccccc1 | 10.1039/C3MD00245D | ||
| CHEMBL3220629 | 108968 | 0 | None | - | 1 | Guinea pig | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 313 | 7 | 3 | 2 | 2.0 | CC(CC(=O)/N=C(\N)NCCCc1ncc[nH]1)c1ccccc1 | 10.1039/C3MD00245D | ||
| 156011186 | 177658 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 704 | 20 | 2 | 7 | 7.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4637893 | 177658 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 704 | 20 | 2 | 7 | 7.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4650588 | 177658 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 704 | 20 | 2 | 7 | 7.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| 11046028 | 151994 | 0 | None | -257 | 4 | Guinea pig | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 338 | 6 | 1 | 4 | 4.5 | C/C(=N\O)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1 | 10.1021/jm021084k | ||
| CHEMBL39716 | 151994 | 0 | None | -257 | 4 | Guinea pig | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 338 | 6 | 1 | 4 | 4.5 | C/C(=N\O)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1 | 10.1021/jm021084k | ||
| 156021166 | 177752 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4647775 | 177752 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4651205 | 177752 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| 44267951 | 15271 | 0 | None | - | 1 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 0.7 | CSCC/N=C(\NC#N)NCCCc1c[nH]cn1 | 10.1021/jm00163a001 | ||
| CHEMBL12158 | 15271 | 0 | None | - | 1 | Guinea pig | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 266 | 7 | 3 | 4 | 0.7 | CSCC/N=C(\NC#N)NCCCc1c[nH]cn1 | 10.1021/jm00163a001 | ||
| 14883414 | 103620 | 0 | None | - | 1 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 382 | 8 | 3 | 4 | 3.8 | Nc1cccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c1 | 10.1021/jm00091a012 | ||
| CHEMBL309401 | 103620 | 0 | None | - | 1 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 382 | 8 | 3 | 4 | 3.8 | Nc1cccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c1 | 10.1021/jm00091a012 | ||
| 14514753 | 203876 | 1 | None | - | 1 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 305 | 7 | 2 | 3 | 2.4 | CNC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00091a012 | ||
| CHEMBL81506 | 203876 | 1 | None | - | 1 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 305 | 7 | 2 | 3 | 2.4 | CNC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00091a012 | ||
| 14514749 | 203825 | 0 | None | - | 1 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 427 | 10 | 2 | 5 | 4.3 | COc1ccc(OC)c(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c1 | 10.1021/jm00091a012 | ||
| CHEMBL81039 | 203825 | 0 | None | - | 1 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 427 | 10 | 2 | 5 | 4.3 | COc1ccc(OC)c(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c1 | 10.1021/jm00091a012 | ||
| 156015041 | 177648 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4637356 | 177648 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4650547 | 177648 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| 156015643 | 177710 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4645213 | 177710 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4650968 | 177710 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| 14514757 | 203663 | 1 | None | - | 1 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 347 | 9 | 2 | 3 | 3.4 | CC(C)CNC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00091a012 | ||
| CHEMBL79974 | 203663 | 1 | None | - | 1 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 347 | 9 | 2 | 3 | 3.4 | CC(C)CNC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00091a012 | ||
| 14514734 | 105215 | 0 | None | - | 1 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 435 | 8 | 2 | 3 | 5.3 | O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1ccc(C(F)(F)F)cc1 | 10.1021/jm00091a012 | ||
| CHEMBL312601 | 105215 | 0 | None | - | 1 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 435 | 8 | 2 | 3 | 5.3 | O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1ccc(C(F)(F)F)cc1 | 10.1021/jm00091a012 | ||
| 14514743 | 203920 | 0 | None | - | 1 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 412 | 9 | 2 | 5 | 4.2 | O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1ccc([N+](=O)[O-])cc1 | 10.1021/jm00091a012 | ||
| CHEMBL81859 | 203920 | 0 | None | - | 1 | Guinea pig | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 412 | 9 | 2 | 5 | 4.2 | O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1ccc([N+](=O)[O-])cc1 | 10.1021/jm00091a012 | ||
| 156015722 | 177688 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4644467 | 177688 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4650837 | 177688 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| 90667428 | 108986 | 0 | None | - | 1 | Guinea pig | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 324 | 7 | 2 | 2 | 2.6 | CC(CC(=O)/N=C(\N)NCCCc1ccncc1)c1ccccc1 | 10.1039/C3MD00245D | ||
| CHEMBL3220886 | 108986 | 0 | None | - | 1 | Guinea pig | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 324 | 7 | 2 | 2 | 2.6 | CC(CC(=O)/N=C(\N)NCCCc1ccncc1)c1ccccc1 | 10.1039/C3MD00245D | ||
| 14514740 | 203683 | 0 | None | - | 1 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 397 | 9 | 2 | 4 | 4.3 | COc1cccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c1 | 10.1021/jm00091a012 | ||
| CHEMBL80084 | 203683 | 0 | None | - | 1 | Guinea pig | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 397 | 9 | 2 | 4 | 4.3 | COc1cccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c1 | 10.1021/jm00091a012 | ||
| 10916261 | 35051 | 0 | None | -245470 | 4 | Guinea pig | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 395 | 7 | 1 | 4 | 5.9 | Clc1ccc2c(Nc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1 | 10.1021/jm0110845 | ||
| CHEMBL14364 | 35051 | 0 | None | -245470 | 4 | Guinea pig | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 395 | 7 | 1 | 4 | 5.9 | Clc1ccc2c(Nc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1 | 10.1021/jm0110845 | ||
| 11080253 | 36337 | 0 | None | -12882 | 4 | Guinea pig | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 417 | 11 | 1 | 4 | 5.9 | c1ccc2c(NCCCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1 | 10.1021/jm0110845 | ||
| CHEMBL14484 | 36337 | 0 | None | -12882 | 4 | Guinea pig | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 417 | 11 | 1 | 4 | 5.9 | c1ccc2c(NCCCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1 | 10.1021/jm0110845 | ||
| 11826604 | 39453 | 0 | None | -15135 | 4 | Guinea pig | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 457 | 10 | 1 | 4 | 6.4 | c1ccc2c(NCCCc3ccc(OCCCN4CCCCC4)cc3)c3c(nc2c1)CCCC3 | 10.1021/jm0110845 | ||
| CHEMBL14754 | 39453 | 0 | None | -15135 | 4 | Guinea pig | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 457 | 10 | 1 | 4 | 6.4 | c1ccc2c(NCCCc3ccc(OCCCN4CCCCC4)cc3)c3c(nc2c1)CCCC3 | 10.1021/jm0110845 | ||
| 11048988 | 40693 | 0 | None | -9999 | 4 | Guinea pig | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 471 | 11 | 1 | 4 | 6.8 | c1ccc2c(NCCCCc3ccc(OCCCN4CCCCC4)cc3)c3c(nc2c1)CCCC3 | 10.1021/jm0110845 | ||
| CHEMBL14868 | 40693 | 0 | None | -9999 | 4 | Guinea pig | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 471 | 11 | 1 | 4 | 6.8 | c1ccc2c(NCCCCc3ccc(OCCCN4CCCCC4)cc3)c3c(nc2c1)CCCC3 | 10.1021/jm0110845 | ||
| 14514754 | 203884 | 0 | None | - | 1 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 347 | 7 | 2 | 3 | 3.5 | CC(C)(C)NC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00091a012 | ||
| CHEMBL81597 | 203884 | 0 | None | - | 1 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 347 | 7 | 2 | 3 | 3.5 | CC(C)(C)NC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00091a012 | ||
| 14514739 | 105482 | 0 | None | - | 1 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 427 | 10 | 2 | 5 | 4.3 | COc1ccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c(OC)c1 | 10.1021/jm00091a012 | ||
| CHEMBL313060 | 105482 | 0 | None | - | 1 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 427 | 10 | 2 | 5 | 4.3 | COc1ccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c(OC)c1 | 10.1021/jm00091a012 | ||
| CHEMBL5088914 | 213776 | 0 | None | - | 1 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095949 | 213776 | 0 | None | - | 1 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 44403829 | 71093 | 0 | None | - | 1 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 743 | 15 | 4 | 7 | 5.3 | CN1C(=O)[C@H](NC(=O)Nc2ccc(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm058225d | ||
| CHEMBL196143 | 71093 | 0 | None | - | 1 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 743 | 15 | 4 | 7 | 5.3 | CN1C(=O)[C@H](NC(=O)Nc2ccc(CC(=O)NCCC(=O)NCCCOc3cccc(CN4CCCCC4)c3)cc2)N=C(c2ccccc2)c2ccccc21 | 10.1021/jm058225d | ||
| 5105 | 176243 | 49 | None | -1 | 2 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 348 | 9 | 1 | 5 | 2.1 | CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm058225d | ||
| CHEMBL46102 | 176243 | 49 | None | -1 | 2 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 348 | 9 | 1 | 5 | 2.1 | CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm058225d | ||
| 1231 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00091a012 | ||
| 2756 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00091a012 | ||
| 645 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00091a012 | ||
| CHEMBL30 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00091a012 | ||
| DB00501 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00091a012 | ||
| 14514742 | 104938 | 0 | None | - | 1 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 412 | 9 | 2 | 5 | 4.2 | O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1cccc([N+](=O)[O-])c1 | 10.1021/jm00091a012 | ||
| CHEMBL311978 | 104938 | 0 | None | - | 1 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 412 | 9 | 2 | 5 | 4.2 | O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1cccc([N+](=O)[O-])c1 | 10.1021/jm00091a012 | ||
| 156015152 | 177721 | 0 | None | - | 1 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4641916 | 177721 | 0 | None | - | 1 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4651017 | 177721 | 0 | None | - | 1 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| 156015793 | 177674 | 0 | None | - | 1 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4645867 | 177674 | 0 | None | - | 1 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4650701 | 177674 | 0 | None | - | 1 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| 14883413 | 203912 | 0 | None | - | 1 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 411 | 8 | 2 | 5 | 4.0 | O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1ccc2c(c1)OCO2 | 10.1021/jm00091a012 | ||
| CHEMBL81758 | 203912 | 0 | None | - | 1 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 411 | 8 | 2 | 5 | 4.0 | O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1ccc2c(c1)OCO2 | 10.1021/jm00091a012 | ||
| 156015633 | 177670 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 498 | 17 | 3 | 7 | 3.6 | CCC(=O)NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| 156020426 | 177670 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 498 | 17 | 3 | 7 | 3.6 | CCC(=O)NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4648685 | 177670 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 498 | 17 | 3 | 7 | 3.6 | CCC(=O)NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4650687 | 177670 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 498 | 17 | 3 | 7 | 3.6 | CCC(=O)NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| 14514737 | 103681 | 0 | None | - | 1 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 401 | 8 | 2 | 3 | 4.9 | O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1cccc(Cl)c1 | 10.1021/jm00091a012 | ||
| CHEMBL309659 | 103681 | 0 | None | - | 1 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 401 | 8 | 2 | 3 | 4.9 | O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1cccc(Cl)c1 | 10.1021/jm00091a012 | ||
| 11004759 | 42903 | 1 | None | -97723 | 4 | Guinea pig | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 443 | 9 | 1 | 4 | 6.0 | c1ccc2c(NCCc3ccc(OCCCN4CCCCC4)cc3)c3c(nc2c1)CCCC3 | 10.1021/jm0110845 | ||
| CHEMBL15056 | 42903 | 1 | None | -97723 | 4 | Guinea pig | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 443 | 9 | 1 | 4 | 6.0 | c1ccc2c(NCCc3ccc(OCCCN4CCCCC4)cc3)c3c(nc2c1)CCCC3 | 10.1021/jm0110845 | ||
| 44352410 | 19370 | 0 | None | -7 | 3 | Guinea pig | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 270 | 5 | 1 | 3 | 3.0 | CC(NC(=O)OCCCN1CCCCC1)C(C)(C)C | 10.1021/jm020910m | ||
| CHEMBL130005 | 19370 | 0 | None | -7 | 3 | Guinea pig | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 270 | 5 | 1 | 3 | 3.0 | CC(NC(=O)OCCCN1CCCCC1)C(C)(C)C | 10.1021/jm020910m | ||
| CHEMBL5094663 | 213720 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 14514748 | 203685 | 1 | None | - | 1 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 381 | 9 | 2 | 3 | 3.9 | O=C(NCCCOc1cccc(CN2CCCCC2)c1)NCc1ccccc1 | 10.1021/jm00091a012 | ||
| CHEMBL80105 | 203685 | 1 | None | - | 1 | Guinea pig | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 381 | 9 | 2 | 3 | 3.9 | O=C(NCCCOc1cccc(CN2CCCCC2)c1)NCc1ccccc1 | 10.1021/jm00091a012 | ||
| 11725577 | 11064 | 0 | None | -30 | 4 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 352 | 7 | 0 | 4 | 4.6 | CO/N=C(\C)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1 | 10.1021/jm021084k | ||
| CHEMBL1178642 | 11064 | 0 | None | -30 | 4 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 352 | 7 | 0 | 4 | 4.6 | CO/N=C(\C)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1 | 10.1021/jm021084k | ||
| CHEMBL35869 | 11064 | 0 | None | -30 | 4 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 352 | 7 | 0 | 4 | 4.6 | CO/N=C(\C)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1 | 10.1021/jm021084k | ||
| 10067161 | 43854 | 1 | None | -239883 | 4 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 361 | 7 | 1 | 4 | 5.2 | c1ccc2c(Nc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1 | 10.1021/jm0110845 | ||
| CHEMBL15153 | 43854 | 1 | None | -239883 | 4 | Guinea pig | 4.4 | pKd | = | 4.4 | Binding | ChEMBL | 361 | 7 | 1 | 4 | 5.2 | c1ccc2c(Nc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1 | 10.1021/jm0110845 | ||
| 129319 | 104399 | 21 | None | - | 1 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 319 | 8 | 2 | 3 | 2.8 | CCNC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00091a012 | ||
| CHEMBL311206 | 104399 | 21 | None | - | 1 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 319 | 8 | 2 | 3 | 2.8 | CCNC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00091a012 | ||
| 14514752 | 203879 | 1 | None | - | 1 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 373 | 8 | 2 | 3 | 4.1 | O=C(NCCCOc1cccc(CN2CCCCC2)c1)NC1CCCCC1 | 10.1021/jm00091a012 | ||
| CHEMBL81545 | 203879 | 1 | None | - | 1 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 373 | 8 | 2 | 3 | 4.1 | O=C(NCCCOc1cccc(CN2CCCCC2)c1)NC1CCCCC1 | 10.1021/jm00091a012 | ||
| 14514755 | 204013 | 1 | None | - | 1 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 333 | 8 | 2 | 3 | 3.1 | CC(C)NC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00091a012 | ||
| CHEMBL82654 | 204013 | 1 | None | - | 1 | Guinea pig | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 333 | 8 | 2 | 3 | 3.1 | CC(C)NC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00091a012 | ||
| 14514746 | 203606 | 0 | None | - | 1 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 413 | 9 | 2 | 4 | 4.8 | COc1ccc(N/C(S)=N/CCCOc2cccc(CN3CCCCC3)c2)cc1 | 10.1021/jm00091a012 | ||
| CHEMBL79507 | 203606 | 0 | None | - | 1 | Guinea pig | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 413 | 9 | 2 | 4 | 4.8 | COc1ccc(N/C(S)=N/CCCOc2cccc(CN3CCCCC3)c2)cc1 | 10.1021/jm00091a012 | ||
| 156014823 | 177742 | 0 | None | - | 1 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 1109 | 31 | 4 | 13 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4641747 | 177742 | 0 | None | - | 1 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 1109 | 31 | 4 | 13 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4651132 | 177742 | 0 | None | - | 1 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 1109 | 31 | 4 | 13 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| 156015041 | 177648 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4637356 | 177648 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4650547 | 177648 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| 14514758 | 167449 | 1 | None | - | 1 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 331 | 8 | 2 | 3 | 2.9 | O=C(NCCCOc1cccc(CN2CCCCC2)c1)NC1CC1 | 10.1021/jm00091a012 | ||
| CHEMBL432167 | 167449 | 1 | None | - | 1 | Guinea pig | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 331 | 8 | 2 | 3 | 2.9 | O=C(NCCCOc1cccc(CN2CCCCC2)c1)NC1CC1 | 10.1021/jm00091a012 | ||
| 90667234 | 108972 | 0 | None | 3 | 2 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 314 | 7 | 3 | 3 | 1.4 | CC(CC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1039/C3MD00245D | ||
| CHEMBL3220635 | 108972 | 0 | None | 3 | 2 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 314 | 7 | 3 | 3 | 1.4 | CC(CC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1039/C3MD00245D | ||
| 14514745 | 203987 | 0 | None | - | 1 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 411 | 10 | 2 | 4 | 4.7 | CCOc1ccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)cc1 | 10.1021/jm00091a012 | ||
| CHEMBL82430 | 203987 | 0 | None | - | 1 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 411 | 10 | 2 | 4 | 4.7 | CCOc1ccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)cc1 | 10.1021/jm00091a012 | ||
| 10873565 | 37588 | 0 | None | -10000 | 4 | Guinea pig | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 423 | 9 | 1 | 4 | 5.8 | Clc1ccc2c(NCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1 | 10.1021/jm0110845 | ||
| CHEMBL14587 | 37588 | 0 | None | -10000 | 4 | Guinea pig | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 423 | 9 | 1 | 4 | 5.8 | Clc1ccc2c(NCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1 | 10.1021/jm0110845 | ||
| CHEMBL5075713 | 213743 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095559 | 213743 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| 156015643 | 177710 | 0 | None | - | 1 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4645213 | 177710 | 0 | None | - | 1 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4650968 | 177710 | 0 | None | - | 1 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| 5039 | 62838 | 13 | None | 2 | 2 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1007/s00044-004-0012-z | ||
| CHEMBL1790041 | 62838 | 13 | None | 2 | 2 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1007/s00044-004-0012-z | ||
| 14514733 | 104415 | 0 | None | - | 1 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 381 | 8 | 2 | 3 | 4.6 | Cc1ccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)cc1 | 10.1021/jm00091a012 | ||
| CHEMBL311272 | 104415 | 0 | None | - | 1 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 381 | 8 | 2 | 3 | 4.6 | Cc1ccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)cc1 | 10.1021/jm00091a012 | ||
| 14514731 | 105141 | 0 | None | - | 1 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 397 | 9 | 2 | 4 | 4.3 | COc1ccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)cc1 | 10.1021/jm00091a012 | ||
| CHEMBL312419 | 105141 | 0 | None | - | 1 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 397 | 9 | 2 | 4 | 4.3 | COc1ccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)cc1 | 10.1021/jm00091a012 | ||
| 14514736 | 203877 | 0 | None | - | 1 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 401 | 8 | 2 | 3 | 4.9 | O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1ccc(Cl)cc1 | 10.1021/jm00091a012 | ||
| CHEMBL81520 | 203877 | 0 | None | - | 1 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 401 | 8 | 2 | 3 | 4.9 | O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1ccc(Cl)cc1 | 10.1021/jm00091a012 | ||
| 156015722 | 177688 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4644467 | 177688 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4650837 | 177688 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| 5039 | 62838 | 13 | None | -2 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1021/jm00091a012 | ||
| CHEMBL1790041 | 62838 | 13 | None | -2 | 2 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1021/jm00091a012 | ||
| CHEMBL5083588 | 213748 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095633 | 213748 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 156015152 | 177721 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4641916 | 177721 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4651017 | 177721 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| 14514738 | 106640 | 0 | None | - | 1 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 397 | 9 | 2 | 4 | 4.3 | COc1ccccc1NC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00091a012 | ||
| CHEMBL316154 | 106640 | 0 | None | - | 1 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 397 | 9 | 2 | 4 | 4.3 | COc1ccccc1NC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00091a012 | ||
| 9866657 | 11898 | 0 | None | -426 | 4 | Guinea pig | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 309 | 6 | 0 | 3 | 4.1 | CC(=O)c1ccc(OCc2ccc(CN3CCCC3)cc2)cc1 | 10.1021/jm021084k | ||
| CHEMBL1183328 | 11898 | 0 | None | -426 | 4 | Guinea pig | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 309 | 6 | 0 | 3 | 4.1 | CC(=O)c1ccc(OCc2ccc(CN3CCCC3)cc2)cc1 | 10.1021/jm021084k | ||
| CHEMBL290613 | 11898 | 0 | None | -426 | 4 | Guinea pig | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 309 | 6 | 0 | 3 | 4.1 | CC(=O)c1ccc(OCc2ccc(CN3CCCC3)cc2)cc1 | 10.1021/jm021084k | ||
| 3032915 | 15306 | 20 | None | -25 | 7 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | 10.1007/s00044-004-0012-z | ||
| CHEMBL12160 | 15306 | 20 | None | -25 | 7 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | 10.1007/s00044-004-0012-z | ||
| CHEMBL5078202 | 213750 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095695 | 213750 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1 | 10.1016/j.bmcl.2021.128388 | ||||
| 14514750 | 203482 | 1 | None | - | 1 | Guinea pig | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 347 | 10 | 2 | 3 | 3.5 | CCCCNC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00091a012 | ||
| CHEMBL78519 | 203482 | 1 | None | - | 1 | Guinea pig | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 347 | 10 | 2 | 3 | 3.5 | CCCCNC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00091a012 | ||
| 14514735 | 203682 | 0 | None | - | 1 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 435 | 8 | 2 | 3 | 5.3 | O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1cccc(C(F)(F)F)c1 | 10.1021/jm00091a012 | ||
| CHEMBL80069 | 203682 | 0 | None | - | 1 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 435 | 8 | 2 | 3 | 5.3 | O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1cccc(C(F)(F)F)c1 | 10.1021/jm00091a012 | ||
| 14994252 | 203462 | 0 | None | - | 1 | Guinea pig | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 337 | 9 | 2 | 3 | 2.7 | O=C(NCCF)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00091a012 | ||
| CHEMBL78339 | 203462 | 0 | None | - | 1 | Guinea pig | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 337 | 9 | 2 | 3 | 2.7 | O=C(NCCF)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00091a012 | ||
| 156015152 | 177721 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4641916 | 177721 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4651017 | 177721 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| 156015722 | 177688 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4644467 | 177688 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4650837 | 177688 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| 14514756 | 203908 | 0 | None | - | 1 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 347 | 9 | 2 | 3 | 3.5 | CCC(C)NC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00091a012 | ||
| CHEMBL81750 | 203908 | 0 | None | - | 1 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 347 | 9 | 2 | 3 | 3.5 | CCC(C)NC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00091a012 | ||
| 14514747 | 204007 | 0 | None | - | 1 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 333 | 9 | 2 | 3 | 3.2 | CCCNC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00091a012 | ||
| CHEMBL82599 | 204007 | 0 | None | - | 1 | Guinea pig | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 333 | 9 | 2 | 3 | 3.2 | CCCNC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00091a012 | ||
| 9990475 | 56168 | 0 | None | -3 | 3 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 205 | 2 | 2 | 3 | -0.5 | Cc1nc(N)[se]c1CCN | 10.1016/S0960-894X(01)80533-3 | ||
| CHEMBL1632408 | 56168 | 0 | None | -3 | 3 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 205 | 2 | 2 | 3 | -0.5 | Cc1nc(N)[se]c1CCN | 10.1016/S0960-894X(01)80533-3 | ||
| CHEMBL2448450 | 56168 | 0 | None | -3 | 3 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 205 | 2 | 2 | 3 | -0.5 | Cc1nc(N)[se]c1CCN | 10.1016/S0960-894X(01)80533-3 | ||
| 1232 | 2017 | 6 | None | -6 | 2 | Guinea pig | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 603 | 11 | 4 | 6 | 3.1 | N#CNC(=NCCCOc1cccc(c1)CN1CCCCC1)NCCNC(=O)c1ccc(c(c1)I)N | 10.1021/jm00090a013 | ||
| 181461 | 2017 | 6 | None | -6 | 2 | Guinea pig | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 603 | 11 | 4 | 6 | 3.1 | N#CNC(=NCCCOc1cccc(c1)CN1CCCCC1)NCCNC(=O)c1ccc(c(c1)I)N | 10.1021/jm00090a013 | ||
| CHEMBL72193 | 2017 | 6 | None | -6 | 2 | Guinea pig | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 603 | 11 | 4 | 6 | 3.1 | N#CNC(=NCCCOc1cccc(c1)CN1CCCCC1)NCCNC(=O)c1ccc(c(c1)I)N | 10.1021/jm00090a013 | ||
| 9805944 | 55919 | 31 | None | -2 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 462 | 7 | 2 | 3 | 4.7 | CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm800510m | ||
| CHEMBL1627 | 55919 | 31 | None | -2 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 462 | 7 | 2 | 3 | 4.7 | CNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm800510m | ||
| 164622259 | 185138 | 0 | None | 2290 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 336 | 6 | 4 | 5 | 1.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccco1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4865965 | 185138 | 0 | None | 2290 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 336 | 6 | 4 | 5 | 1.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccco1 | 10.1016/j.ejmech.2021.113190 | ||
| 164610648 | 184245 | 0 | None | 87 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 374 | 7 | 4 | 4 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4852212 | 184245 | 0 | None | 87 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 374 | 7 | 4 | 4 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 10852027 | 98222 | 0 | None | -77 | 3 | Guinea pig | 6.0 | pKi | = | 6 | Binding | ChEMBL | 304 | 7 | 2 | 5 | 2.2 | O=C(NCc1cccc([N+](=O)[O-])c1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| CHEMBL277537 | 98222 | 0 | None | -77 | 3 | Guinea pig | 6.0 | pKi | = | 6 | Binding | ChEMBL | 304 | 7 | 2 | 5 | 2.2 | O=C(NCc1cccc([N+](=O)[O-])c1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| 44334025 | 4464 | 0 | None | -269 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 462 | 10 | 1 | 5 | 3.8 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3Cl)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL102384 | 4464 | 0 | None | -269 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 462 | 10 | 1 | 5 | 3.8 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3Cl)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
| 44334781 | 5319 | 0 | None | -346 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 458 | 11 | 1 | 6 | 3.1 | COc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL107162 | 5319 | 0 | None | -346 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 458 | 11 | 1 | 6 | 3.1 | COc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| 33630 | 178369 | 94 | None | -13 | 28 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| CHEMBL47050 | 178369 | 94 | None | -13 | 28 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| 4023 | 196 | 19 | None | -3467 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 349 | 7 | 0 | 4 | 3.6 | N#Cc1ccc(cc1)c1ccc(cc1)OCCCN1CC[C@H](C1)N(C)C | 10.1016/s0960-894x(02)00648-0 | ||
| 9884746 | 196 | 19 | None | -3467 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 349 | 7 | 0 | 4 | 3.6 | N#Cc1ccc(cc1)c1ccc(cc1)OCCCN1CC[C@H](C1)N(C)C | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL319000 | 196 | 19 | None | -3467 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 349 | 7 | 0 | 4 | 3.6 | N#Cc1ccc(cc1)c1ccc(cc1)OCCCN1CC[C@H](C1)N(C)C | 10.1016/s0960-894x(02)00648-0 | ||
| 44335456 | 4470 | 0 | None | -316 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 336 | 6 | 1 | 4 | 3.5 | N#Cc1ccc(-c2ccc(OCCCN3CCC(O)CC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL102416 | 4470 | 0 | None | -316 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 336 | 6 | 1 | 4 | 3.5 | N#Cc1ccc(-c2ccc(OCCCN3CCC(O)CC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| 10268636 | 5196 | 0 | None | -1174 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 335 | 7 | 1 | 4 | 3.3 | CN[C@@H]1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL106545 | 5196 | 0 | None | -1174 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 335 | 7 | 1 | 4 | 3.3 | CN[C@@H]1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1 | 10.1016/s0960-894x(02)00648-0 | ||
| 44304327 | 199188 | 0 | None | -2511 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 535 | 11 | 1 | 6 | 4.3 | CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL60143 | 199188 | 0 | None | -2511 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 535 | 11 | 1 | 6 | 4.3 | CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 44304295 | 201172 | 0 | None | -2290 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 357 | 8 | 1 | 5 | 1.5 | O=C1C[C@@H](N2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)CC2)N1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL62596 | 201172 | 0 | None | -2290 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 357 | 8 | 1 | 5 | 1.5 | O=C1C[C@@H](N2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)CC2)N1 | 10.1016/s0960-894x(02)00310-4 | ||
| 44304331 | 201422 | 0 | None | -2187 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 449 | 11 | 1 | 5 | 3.2 | N[C@H](CCc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL64059 | 201422 | 0 | None | -2187 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 449 | 11 | 1 | 5 | 3.2 | N[C@H](CCc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 44275807 | 98500 | 0 | None | -9120 | 10 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 422 | 7 | 0 | 4 | 4.5 | C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 | 10.1016/s0960-894x(03)00118-5 | ||
| CHEMBL27979 | 98500 | 0 | None | -9120 | 10 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 422 | 7 | 0 | 4 | 4.5 | C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 | 10.1016/s0960-894x(03)00118-5 | ||
| 10422468 | 202448 | 0 | None | -501 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 254 | 7 | 3 | 2 | 2.4 | CC(C)/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | ||
| CHEMBL70603 | 202448 | 0 | None | -501 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 254 | 7 | 3 | 2 | 2.4 | CC(C)/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | ||
| 10466840 | 202766 | 0 | None | -1000 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 240 | 7 | 3 | 2 | 2.0 | CC/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | ||
| CHEMBL72424 | 202766 | 0 | None | -1000 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 240 | 7 | 3 | 2 | 2.0 | CC/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | ||
| 9990475 | 56168 | 0 | None | -3 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 205 | 2 | 2 | 3 | -0.5 | Cc1nc(N)[se]c1CCN | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL1632408 | 56168 | 0 | None | -3 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 205 | 2 | 2 | 3 | -0.5 | Cc1nc(N)[se]c1CCN | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL2448450 | 56168 | 0 | None | -3 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 205 | 2 | 2 | 3 | -0.5 | Cc1nc(N)[se]c1CCN | 10.1016/j.bmcl.2010.10.041 | ||
| 10466840 | 202766 | 0 | None | -1000 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 240 | 7 | 3 | 2 | 2.0 | CC/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL72424 | 202766 | 0 | None | -1000 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 240 | 7 | 3 | 2 | 2.0 | CC/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| 10686633 | 56223 | 0 | None | -4073 | 3 | Guinea pig | 4.0 | pKi | = | 4 | Binding | ChEMBL | 313 | 5 | 2 | 3 | 3.6 | O=C(Nc1ccccc1C(F)(F)F)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| CHEMBL16373 | 56223 | 0 | None | -4073 | 3 | Guinea pig | 4.0 | pKi | = | 4 | Binding | ChEMBL | 313 | 5 | 2 | 3 | 3.6 | O=C(Nc1ccccc1C(F)(F)F)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| 10490047 | 58752 | 0 | None | -7585 | 2 | Guinea pig | 4.0 | pKi | = | 4 | Binding | ChEMBL | 237 | 6 | 2 | 3 | 1.9 | O=C(NCC1CCC1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| CHEMBL16957 | 58752 | 0 | None | -7585 | 2 | Guinea pig | 4.0 | pKi | = | 4 | Binding | ChEMBL | 237 | 6 | 2 | 3 | 1.9 | O=C(NCC1CCC1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| 10731042 | 98184 | 0 | None | -194 | 3 | Guinea pig | 4.0 | pKi | = | 4 | Binding | ChEMBL | 274 | 6 | 3 | 4 | 1.9 | Nc1ccc(CNC(=O)OCCCc2c[nH]cn2)cc1 | 10.1021/jm9507688 | ||
| CHEMBL277285 | 98184 | 0 | None | -194 | 3 | Guinea pig | 4.0 | pKi | = | 4 | Binding | ChEMBL | 274 | 6 | 3 | 4 | 1.9 | Nc1ccc(CNC(=O)OCCCc2c[nH]cn2)cc1 | 10.1021/jm9507688 | ||
| 44334252 | 4465 | 0 | None | -323 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 449 | 10 | 3 | 7 | 1.7 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL102390 | 4465 | 0 | None | -323 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 449 | 10 | 3 | 7 | 1.7 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| 44335350 | 4996 | 0 | None | -389 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 398 | 8 | 0 | 5 | 3.9 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(OC)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL105483 | 4996 | 0 | None | -389 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 398 | 8 | 0 | 5 | 3.9 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(OC)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| 44304211 | 101714 | 0 | None | -19054 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.9 | CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL302829 | 101714 | 0 | None | -19054 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.9 | CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 10451094 | 200777 | 0 | None | -199526 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 359 | 9 | 1 | 5 | 1.5 | NCCC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL61120 | 200777 | 0 | None | -199526 | 3 | Human | 4.0 | pKi | = | 4 | Binding | ChEMBL | 359 | 9 | 1 | 5 | 1.5 | NCCC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 29298 | 201749 | 1 | None | -1047 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 297 | 5 | 1 | 3 | 3.9 | CN(C)CCCNc1c2c(nc3ccccc13)CCCCC2 | 10.1016/s0960-894x(03)00356-1 | ||
| CHEMBL65849 | 201749 | 1 | None | -1047 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 297 | 5 | 1 | 3 | 3.9 | CN(C)CCCNc1c2c(nc3ccccc13)CCCCC2 | 10.1016/s0960-894x(03)00356-1 | ||
| 164614645 | 184539 | 0 | None | 57 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 402 | 8 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4856572 | 184539 | 0 | None | 57 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 402 | 8 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | ||
| 164622886 | 185350 | 0 | None | 93 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 374 | 7 | 4 | 4 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4869389 | 185350 | 0 | None | 93 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 374 | 7 | 4 | 4 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 1588 | 2284 | 24 | None | -323 | 44 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| 28864 | 2284 | 24 | None | -323 | 44 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| 43 | 2284 | 24 | None | -323 | 44 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| CHEMBL157138 | 2284 | 24 | None | -323 | 44 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| DB00589 | 2284 | 24 | None | -323 | 44 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | nan | ||
| 10069595 | 201429 | 0 | None | -3235 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 400 | 11 | 0 | 4 | 4.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C3CCC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL64100 | 201429 | 0 | None | -3235 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 400 | 11 | 0 | 4 | 4.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C3CCC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304318 | 201561 | 0 | None | -1584 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.8 | C[C@@H](CN)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL64608 | 201561 | 0 | None | -1584 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.8 | C[C@@H](CN)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 112936251 | 136729 | 1 | None | -10 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 359 | 5 | 1 | 5 | 3.5 | CN1CCN(c2cc(-c3ccccc3)nc(NCc3ccccc3)n2)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL3752085 | 136729 | 1 | None | -10 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 359 | 5 | 1 | 5 | 3.5 | CN1CCN(c2cc(-c3ccccc3)nc(NCc3ccccc3)n2)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| 127052293 | 139695 | 1 | None | -218 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3805361 | 139695 | 1 | None | -218 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 176 | 394 | 63 | None | -6 | 31 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2157 | 394 | 63 | None | -6 | 31 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2566 | 394 | 63 | None | -6 | 31 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| CHEMBL633 | 394 | 63 | None | -6 | 31 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| DB01118 | 394 | 63 | None | -6 | 31 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 164627189 | 185729 | 0 | None | 275 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 298 | 6 | 4 | 4 | 1.0 | CCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4874758 | 185729 | 0 | None | 275 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 298 | 6 | 4 | 4 | 1.0 | CCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| 168294776 | 192414 | 0 | None | -7 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 366 | 7 | 3 | 4 | 2.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCC(C)C2CCCCC2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5209479 | 192414 | 0 | None | -7 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 366 | 7 | 3 | 4 | 2.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCC(C)C2CCCCC2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222831 | 192414 | 0 | None | -7 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 366 | 7 | 3 | 4 | 2.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCC(C)C2CCCCC2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294445 | 192398 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.6 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCC2CCc3nc(N)sc3C2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5208113 | 192398 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.6 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCC2CCc3nc(N)sc3C2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222768 | 192398 | 0 | None | -1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.6 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCC2CCc3nc(N)sc3C2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 44304320 | 162711 | 0 | None | -4265 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.9 | CC[C@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL418666 | 162711 | 0 | None | -4265 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.9 | CC[C@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 44304319 | 200938 | 0 | None | -1202 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.8 | C[C@H](CN)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL61288 | 200938 | 0 | None | -1202 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.8 | C[C@H](CN)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 44304494 | 201294 | 0 | None | -8709 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 489 | 12 | 1 | 6 | 4.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL63125 | 201294 | 0 | None | -8709 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 489 | 12 | 1 | 6 | 4.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| 132060746 | 162508 | 0 | None | -6 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 405 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1Cc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | ||
| CHEMBL4176474 | 162508 | 0 | None | -6 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 405 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1Cc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | ||
| 124087 | 1357 | 106 | None | -29 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 7157 | 1357 | 106 | None | -29 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 814 | 1357 | 106 | None | -29 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| CHEMBL1172 | 1357 | 106 | None | -29 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| DB00967 | 1357 | 106 | None | -29 | 15 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 168284289 | 192294 | 0 | None | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 428 | 8 | 4 | 4 | 3.1 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5194860 | 192294 | 0 | None | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 428 | 8 | 4 | 4 | 3.1 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222123 | 192294 | 0 | None | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 428 | 8 | 4 | 4 | 3.1 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| 44304211 | 101714 | 0 | None | -19054 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.9 | CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL302829 | 101714 | 0 | None | -19054 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 373 | 9 | 1 | 5 | 1.9 | CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 132060752 | 162364 | 0 | None | -3 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 437 | 7 | 0 | 6 | 3.4 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
| CHEMBL4174189 | 162364 | 0 | None | -3 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 437 | 7 | 0 | 6 | 3.4 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
| CHEMBL5085542 | 213189 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | ||||
| 164626370 | 185881 | 0 | None | 1 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.8 | CCCCCCNC(=O)/N=C(\N)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4876799 | 185881 | 0 | None | 1 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.8 | CCCCCCNC(=O)/N=C(\N)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| 44304382 | 201602 | 0 | None | -1174 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 403 | 11 | 1 | 4 | 4.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)NC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL64773 | 201602 | 0 | None | -1174 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 403 | 11 | 1 | 4 | 4.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)NC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 11057 | 175565 | 19 | None | -2 | 20 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| 3468 | 175565 | 19 | None | -2 | 20 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| CHEMBL459265 | 175565 | 19 | None | -2 | 20 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| CHEMBL64894 | 175565 | 19 | None | -2 | 20 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| 164616851 | 184357 | 0 | None | -1 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 376 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4853772 | 184357 | 0 | None | -1 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 376 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 2286 | 3122 | 48 | None | -26 | 30 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 4927 | 3122 | 48 | None | -26 | 30 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 7282 | 3122 | 48 | None | -26 | 30 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| CHEMBL643 | 3122 | 48 | None | -26 | 30 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| DB01069 | 3122 | 48 | None | -26 | 30 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 1353 | 1872 | 85 | None | -131 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 3559 | 1872 | 85 | None | -131 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 86 | 1872 | 85 | None | -131 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| CHEMBL54 | 1872 | 85 | None | -131 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| DB00502 | 1872 | 85 | None | -131 | 86 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | nan | ||
| 164612760 | 184125 | 0 | None | 38 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 390 | 7 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4850490 | 184125 | 0 | None | 38 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 390 | 7 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 44582678 | 180982 | 0 | None | -630 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 401 | 9 | 1 | 4 | 4.3 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| CHEMBL476839 | 180982 | 0 | None | -630 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 401 | 9 | 1 | 4 | 4.3 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| 73353884 | 91876 | 0 | None | 2 | 8 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.7 | c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2429890 | 91876 | 0 | None | 2 | 8 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.7 | c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2 | 10.1016/j.bmc.2013.07.045 | ||
| 44304245 | 201628 | 0 | None | -2884 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 425 | 11 | 0 | 5 | 4.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccn3C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL64884 | 201628 | 0 | None | -2884 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 425 | 11 | 0 | 5 | 4.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccn3C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44335559 | 109208 | 0 | None | -6918 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.7 | CC1CCCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL322873 | 109208 | 0 | None | -6918 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.7 | CC1CCCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1 | 10.1016/s0960-894x(02)00648-0 | ||
| 1201549 | 590 | 22 | None | -74 | 20 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 333 | 590 | 22 | None | -74 | 20 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 7601 | 590 | 22 | None | -74 | 20 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1201203 | 590 | 22 | None | -74 | 20 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL438151 | 590 | 22 | None | -74 | 20 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| DB00245 | 590 | 22 | None | -74 | 20 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 3037827 | 102661 | 5 | None | - | 1 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 629 | 12 | 3 | 6 | 4.4 | N#CN/C(=N\CCNC(=O)c1ccc(N=[N+]=[N-])c(I)c1)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00090a013 | ||
| CHEMBL307952 | 102661 | 5 | None | - | 1 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 629 | 12 | 3 | 6 | 4.4 | N#CN/C(=N\CCNC(=O)c1ccc(N=[N+]=[N-])c(I)c1)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00090a013 | ||
| 168295541 | 192428 | 0 | None | -851 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5208845 | 192428 | 0 | None | -851 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222926 | 192428 | 0 | None | -851 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 347 | 6 | 4 | 5 | 1.4 | C[C@@H](NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 44334430 | 4373 | 0 | None | -398 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 428 | 10 | 1 | 5 | 3.1 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL101691 | 4373 | 0 | None | -398 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 428 | 10 | 1 | 5 | 3.1 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
| 44304457 | 201513 | 0 | None | -3981 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 376 | 10 | 0 | 5 | 3.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL64408 | 201513 | 0 | None | -3981 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 376 | 10 | 0 | 5 | 3.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304431 | 201243 | 0 | None | -512 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 566 | 14 | 1 | 7 | 4.9 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](Cc3ccncc3)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL62903 | 201243 | 0 | None | -512 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 566 | 14 | 1 | 7 | 4.9 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](Cc3ccncc3)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| 1212 | 1624 | 45 | None | -323 | 66 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 204 | 1624 | 45 | None | -323 | 66 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 3372 | 1624 | 45 | None | -323 | 66 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL726 | 1624 | 45 | None | -323 | 66 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| DB00623 | 1624 | 45 | None | -323 | 66 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 9872676 | 77811 | 0 | None | -3090 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 565 | 11 | 2 | 10 | 4.8 | COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1 | 10.1021/jm060012g | ||
| CHEMBL210514 | 77811 | 0 | None | -3090 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 565 | 11 | 2 | 10 | 4.8 | COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1 | 10.1021/jm060012g | ||
| 44304751 | 100541 | 0 | None | -338 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 422 | 11 | 0 | 4 | 4.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL294519 | 100541 | 0 | None | -338 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 422 | 11 | 0 | 4 | 4.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304990 | 201364 | 0 | None | -331 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 483 | 12 | 0 | 6 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL63632 | 201364 | 0 | None | -331 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 483 | 12 | 0 | 6 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44335225 | 163592 | 0 | None | -812 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 347 | 6 | 1 | 4 | 3.1 | N#Cc1ccc(-c2ccc(OCCCN3CC4CNCC4C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL421026 | 163592 | 0 | None | -812 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 347 | 6 | 1 | 4 | 3.1 | N#Cc1ccc(-c2ccc(OCCCN3CC4CNCC4C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| 44304303 | 201629 | 0 | None | -954 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 371 | 8 | 1 | 5 | 1.6 | O=C(c1ccc(OCCCN2CCN(C(=O)[C@@H]3CCN3)CC2)cc1)C1CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL64896 | 201629 | 0 | None | -954 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 371 | 8 | 1 | 5 | 1.6 | O=C(c1ccc(OCCCN2CCN(C(=O)[C@@H]3CCN3)CC2)cc1)C1CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 164621681 | 184988 | 0 | None | 64 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 444 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4863523 | 184988 | 0 | None | 64 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 444 | 7 | 4 | 5 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 10565409 | 51895 | 0 | None | -616 | 3 | Guinea pig | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 290 | 6 | 2 | 5 | 2.5 | O=C(Nc1ccc([N+](=O)[O-])cc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| CHEMBL15883 | 51895 | 0 | None | -616 | 3 | Guinea pig | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 290 | 6 | 2 | 5 | 2.5 | O=C(Nc1ccc([N+](=O)[O-])cc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| 10805119 | 54302 | 0 | None | -645 | 3 | Guinea pig | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 313 | 5 | 2 | 3 | 3.6 | O=C(Nc1cccc(C(F)(F)F)c1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| CHEMBL16108 | 54302 | 0 | None | -645 | 3 | Guinea pig | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 313 | 5 | 2 | 3 | 3.6 | O=C(Nc1cccc(C(F)(F)F)c1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| 10520238 | 57245 | 0 | None | -1023 | 3 | Guinea pig | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 327 | 6 | 2 | 3 | 3.3 | O=C(NCc1ccc(C(F)(F)F)cc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| CHEMBL16654 | 57245 | 0 | None | -1023 | 3 | Guinea pig | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 327 | 6 | 2 | 3 | 3.3 | O=C(NCc1ccc(C(F)(F)F)cc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| 10732219 | 98474 | 0 | None | -602 | 3 | Guinea pig | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 290 | 6 | 2 | 5 | 2.5 | O=C(Nc1cccc([N+](=O)[O-])c1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| CHEMBL279617 | 98474 | 0 | None | -602 | 3 | Guinea pig | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 290 | 6 | 2 | 5 | 2.5 | O=C(Nc1cccc([N+](=O)[O-])c1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| 409544 | 201216 | 3 | None | -8912 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 390 | 11 | 0 | 5 | 4.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL62803 | 201216 | 3 | None | -8912 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 390 | 11 | 0 | 5 | 4.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304035 | 201609 | 0 | None | -181 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 410 | 9 | 0 | 5 | 3.7 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)Cc3ccccc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL64799 | 201609 | 0 | None | -181 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 410 | 9 | 0 | 5 | 3.7 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)Cc3ccccc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304393 | 105464 | 0 | None | -128 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 517 | 13 | 1 | 6 | 4.9 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL312958 | 105464 | 0 | None | -128 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 517 | 13 | 1 | 6 | 4.9 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| 10039772 | 103869 | 0 | None | -501 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 288 | 7 | 3 | 2 | 3.1 | S=C(NCCCCCc1c[nH]cn1)Nc1ccccc1 | 10.1021/jm00012a025 | ||
| CHEMBL310087 | 103869 | 0 | None | -501 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 288 | 7 | 3 | 2 | 3.1 | S=C(NCCCCCc1c[nH]cn1)Nc1ccccc1 | 10.1021/jm00012a025 | ||
| 44304246 | 200955 | 0 | None | -1513 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 426 | 11 | 0 | 5 | 4.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3occc3C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL61396 | 200955 | 0 | None | -1513 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 426 | 11 | 0 | 5 | 4.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3occc3C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44335463 | 4374 | 0 | None | -229 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.2 | CCOC(=O)N1CCN(CCCOc2ccc(-c3cc[nH]c3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL101692 | 4374 | 0 | None | -229 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.2 | CCOC(=O)N1CCN(CCCOc2ccc(-c3cc[nH]c3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| 44335483 | 5206 | 0 | None | -426 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 336 | 6 | 1 | 4 | 3.5 | N#Cc1ccc(-c2ccc(OCCCN3CCCC(O)C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL106596 | 5206 | 0 | None | -426 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 336 | 6 | 1 | 4 | 3.5 | N#Cc1ccc(-c2ccc(OCCCN3CCCC(O)C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| 156017225 | 177760 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 442 | 15 | 3 | 7 | 3.1 | NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4642548 | 177760 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 442 | 15 | 3 | 7 | 3.1 | NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4651234 | 177760 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 442 | 15 | 3 | 7 | 3.1 | NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| 156015555 | 177727 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 456 | 16 | 3 | 7 | 3.5 | NCCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4644794 | 177727 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 456 | 16 | 3 | 7 | 3.5 | NCCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4651059 | 177727 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 456 | 16 | 3 | 7 | 3.5 | NCCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| 156014823 | 177742 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1109 | 31 | 4 | 13 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4641747 | 177742 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1109 | 31 | 4 | 13 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4651132 | 177742 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 1109 | 31 | 4 | 13 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| 44304412 | 199953 | 0 | None | -912 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 517 | 13 | 1 | 6 | 4.9 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL60598 | 199953 | 0 | None | -912 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 517 | 13 | 1 | 6 | 4.9 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| 59868 | 93707 | 56 | None | -20892 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@@H]1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL249420 | 93707 | 56 | None | -20892 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@@H]1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| 119570 | 3098 | 90 | None | -281 | 40 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| 2233 | 3098 | 90 | None | -281 | 40 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| 953 | 3098 | 90 | None | -281 | 40 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL301265 | 3098 | 90 | None | -281 | 40 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| DB00413 | 3098 | 90 | None | -281 | 40 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | 10.1021/acs.jmedchem.1c00692 | ||
| 104903 | 56035 | 14 | None | -5 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | nan | ||
| CHEMBL1630578 | 56035 | 14 | None | -5 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | nan | ||
| CHEMBL4535474 | 212225 | 34 | None | -1 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | nan | ||||
| 1231 | 922 | 112 | None | -2 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | ||
| 2756 | 922 | 112 | None | -2 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | ||
| 645 | 922 | 112 | None | -2 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | ||
| CHEMBL30 | 922 | 112 | None | -2 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | ||
| DB00501 | 922 | 112 | None | -2 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.ejmech.2013.01.044 | ||
| 44568347 | 191045 | 0 | None | -67 | 15 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 356 | 6 | 0 | 4 | 5.2 | CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| CHEMBL519609 | 191045 | 0 | None | -67 | 15 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 356 | 6 | 0 | 4 | 5.2 | CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| 44304560 | 102277 | 0 | None | -10715 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 371 | 8 | 1 | 5 | 1.6 | O=C(c1ccc(OCCCN2CCN(C(=O)[C@H]3CCN3)CC2)cc1)C1CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL305144 | 102277 | 0 | None | -10715 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 371 | 8 | 1 | 5 | 1.6 | O=C(c1ccc(OCCCN2CCN(C(=O)[C@H]3CCN3)CC2)cc1)C1CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 44304760 | 201203 | 0 | None | -229 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 431 | 13 | 1 | 5 | 3.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)CC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL62741 | 201203 | 0 | None | -229 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 431 | 13 | 1 | 5 | 3.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)CC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| 71525678 | 89281 | 0 | None | -1479 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 258 | 3 | 2 | 6 | 0.6 | CCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376800 | 89281 | 0 | None | -1479 | 6 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 258 | 3 | 2 | 6 | 0.6 | CCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| 164610824 | 184517 | 0 | None | 14 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 452 | 8 | 4 | 4 | 3.6 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NCC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4856200 | 184517 | 0 | None | 14 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 452 | 8 | 4 | 4 | 3.6 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NCC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 18539962 | 101648 | 0 | None | -537 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 318 | 10 | 1 | 4 | 3.1 | CCCCCC(=O)c1ccc(OCCCN2CCNCC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL302445 | 101648 | 0 | None | -537 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 318 | 10 | 1 | 4 | 3.1 | CCCCCC(=O)c1ccc(OCCCN2CCNCC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 2389 | 3267 | 114 | None | -346 | 68 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 5073 | 3267 | 114 | None | -346 | 68 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 96 | 3267 | 114 | None | -346 | 68 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| CHEMBL85 | 3267 | 114 | None | -346 | 68 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| DB00734 | 3267 | 114 | None | -346 | 68 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | nan | ||
| 164620704 | 185491 | 0 | None | 17 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 416 | 8 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)c1ccc(C(C)C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4871482 | 185491 | 0 | None | 17 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 416 | 8 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)c1ccc(C(C)C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 44304287 | 201200 | 0 | None | -912 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 428 | 11 | 0 | 5 | 4.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccs3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL62726 | 201200 | 0 | None | -912 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 428 | 11 | 0 | 5 | 4.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccs3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304310 | 201574 | 0 | None | -1995 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 415 | 10 | 0 | 4 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)N3CCCC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL64667 | 201574 | 0 | None | -1995 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 415 | 10 | 0 | 4 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)N3CCCC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304349 | 201104 | 0 | None | -275 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 566 | 14 | 1 | 7 | 4.9 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](Cc3ccncc3)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL62266 | 201104 | 0 | None | -275 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 566 | 14 | 1 | 7 | 4.9 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](Cc3ccncc3)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| 73347825 | 92094 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 311 | 5 | 1 | 3 | 2.9 | COc1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432046 | 92094 | 0 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 311 | 5 | 1 | 3 | 2.9 | COc1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
| 57469 | 18663 | 120 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | nan | ||
| CHEMBL1282 | 18663 | 120 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | nan | ||
| 168286426 | 192314 | 0 | None | -5 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5198795 | 192314 | 0 | None | -5 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222241 | 192314 | 0 | None | -5 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 403 | 10 | 4 | 5 | 2.3 | CC(CCCc1ccccc1)CNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 135156 | 177219 | 7 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 343 | 8 | 2 | 6 | 1.7 | Nc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4643501 | 177219 | 7 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 343 | 8 | 2 | 6 | 1.7 | Nc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| 69355600 | 78260 | 0 | None | -3715 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 336 | 6 | 1 | 4 | 3.5 | C[C@@]1(O)CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL2112461 | 78260 | 0 | None | -3715 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 336 | 6 | 1 | 4 | 3.5 | C[C@@]1(O)CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)C1 | 10.1016/s0960-894x(02)00648-0 | ||
| 44304293 | 201264 | 0 | None | -52 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 491 | 10 | 1 | 6 | 4.0 | N[C@H](Cc1cc2ccccc2s1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL63002 | 201264 | 0 | None | -52 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 491 | 10 | 1 | 6 | 4.0 | N[C@H](Cc1cc2ccccc2s1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 168295803 | 192433 | 0 | None | 3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.6 | CCCCCNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5207206 | 192433 | 0 | None | 3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.6 | CCCCCNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222937 | 192433 | 0 | None | 3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 338 | 6 | 4 | 4 | 1.6 | CCCCCNC(=O)/N=C(\N)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| 44304283 | 201474 | 0 | None | -117 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 452 | 8 | 0 | 5 | 4.8 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL64247 | 201474 | 0 | None | -117 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 452 | 8 | 0 | 5 | 4.8 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44334396 | 4832 | 0 | None | -575 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 446 | 10 | 1 | 5 | 3.2 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3F)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL104618 | 4832 | 0 | None | -575 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 446 | 10 | 1 | 5 | 3.2 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3F)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
| 3198 | 203792 | 73 | None | -19 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1201049 | 203792 | 73 | None | -19 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL808 | 203792 | 73 | None | -19 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 164622190 | 185024 | 0 | None | 93 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 360 | 7 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4864067 | 185024 | 0 | None | 93 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 360 | 7 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 10017820 | 202485 | 0 | None | -79 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 302 | 8 | 3 | 2 | 2.8 | S=C(NCCCCCc1c[nH]cn1)NCc1ccccc1 | 10.1021/jm00012a025 | ||
| CHEMBL70811 | 202485 | 0 | None | -79 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 302 | 8 | 3 | 2 | 2.8 | S=C(NCCCCCc1c[nH]cn1)NCc1ccccc1 | 10.1021/jm00012a025 | ||
| 9974306 | 202759 | 0 | None | -199 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 336 | 8 | 3 | 2 | 3.4 | S=C(NCCCCCc1c[nH]cn1)NCc1ccc(Cl)cc1 | 10.1021/jm00012a025 | ||
| CHEMBL72372 | 202759 | 0 | None | -199 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 336 | 8 | 3 | 2 | 3.4 | S=C(NCCCCCc1c[nH]cn1)NCc1ccc(Cl)cc1 | 10.1021/jm00012a025 | ||
| 9974306 | 202759 | 0 | None | -199 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 336 | 8 | 3 | 2 | 3.4 | S=C(NCCCCCc1c[nH]cn1)NCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL72372 | 202759 | 0 | None | -199 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 336 | 8 | 3 | 2 | 3.4 | S=C(NCCCCCc1c[nH]cn1)NCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.10.041 | ||
| 44270793 | 51053 | 0 | None | -154 | 3 | Guinea pig | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 328 | 6 | 2 | 4 | 2.9 | O=C(NN1CCC(c2ccccc2)CC1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| CHEMBL15813 | 51053 | 0 | None | -154 | 3 | Guinea pig | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 328 | 6 | 2 | 4 | 2.9 | O=C(NN1CCC(c2ccccc2)CC1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| 10662264 | 56185 | 0 | None | -1023 | 3 | Guinea pig | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 304 | 7 | 2 | 5 | 2.2 | O=C(NCc1ccc([N+](=O)[O-])cc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| CHEMBL16338 | 56185 | 0 | None | -1023 | 3 | Guinea pig | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 304 | 7 | 2 | 5 | 2.2 | O=C(NCc1ccc([N+](=O)[O-])cc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| 10682710 | 57176 | 1 | None | -1513 | 3 | Guinea pig | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.3 | O=C(NCc1ccccc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| CHEMBL16592 | 57176 | 1 | None | -1513 | 3 | Guinea pig | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.3 | O=C(NCc1ccccc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| 10711079 | 98274 | 0 | None | -831 | 3 | Guinea pig | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 323 | 5 | 2 | 3 | 3.4 | O=C(Nc1ccc(Br)cc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| CHEMBL277989 | 98274 | 0 | None | -831 | 3 | Guinea pig | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 323 | 5 | 2 | 3 | 3.4 | O=C(Nc1ccc(Br)cc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| 44280956 | 116965 | 0 | None | - | 1 | Guinea pig | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 273 | 5 | 3 | 5 | 2.1 | CN/C(=C\[N+](=O)[O-])Nc1cccc(-c2[nH]cnc2C)c1 | 10.1021/jm00356a005 | ||
| CHEMBL33996 | 116965 | 0 | None | - | 1 | Guinea pig | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 273 | 5 | 3 | 5 | 2.1 | CN/C(=C\[N+](=O)[O-])Nc1cccc(-c2[nH]cnc2C)c1 | 10.1021/jm00356a005 | ||
| 3042 | 1381 | 31 | None | -53 | 15 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 355 | 1381 | 31 | None | -53 | 15 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 868 | 1381 | 31 | None | -53 | 15 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| CHEMBL1123 | 1381 | 31 | None | -53 | 15 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| DB00804 | 1381 | 31 | None | -53 | 15 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 10343536 | 4878 | 0 | None | -1000 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 446 | 10 | 1 | 5 | 3.2 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL104809 | 4878 | 0 | None | -1000 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 446 | 10 | 1 | 5 | 3.2 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
| 71452695 | 78258 | 0 | None | -398 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.0 | N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL2112451 | 78258 | 0 | None | -398 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.0 | N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| 2247 | 502 | 77 | None | -56 | 42 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 249 | 502 | 77 | None | -56 | 42 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 2603 | 502 | 77 | None | -56 | 42 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| CHEMBL296419 | 502 | 77 | None | -56 | 42 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| DB00637 | 502 | 77 | None | -56 | 42 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 44335185 | 106894 | 0 | None | -14 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 446 | 7 | 0 | 4 | 4.7 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(Br)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL317900 | 106894 | 0 | None | -14 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 446 | 7 | 0 | 4 | 4.7 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(Br)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| 44304743 | 100130 | 0 | None | -97 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 431 | 13 | 1 | 5 | 3.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](N)CC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL291847 | 100130 | 0 | None | -97 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 431 | 13 | 1 | 5 | 3.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](N)CC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| 164628701 | 185875 | 0 | None | 144 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 338 | 5 | 4 | 4 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4876743 | 185875 | 0 | None | 144 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 338 | 5 | 4 | 4 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| 9880208 | 4840 | 0 | None | -2041 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 322 | 6 | 1 | 4 | 3.1 | N#Cc1ccc(-c2ccc(OCCCN3CC[C@@H](O)C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL104669 | 4840 | 0 | None | -2041 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 322 | 6 | 1 | 4 | 3.1 | N#Cc1ccc(-c2ccc(OCCCN3CC[C@@H](O)C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| 156015722 | 177688 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4644467 | 177688 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4650837 | 177688 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 718 | 21 | 2 | 7 | 7.9 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| 156015152 | 177721 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4641916 | 177721 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4651017 | 177721 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 676 | 18 | 2 | 7 | 6.7 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| 164609729 | 184505 | 0 | None | -2 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4856059 | 184505 | 0 | None | -2 | 6 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 1231 | 922 | 112 | None | -2 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | ||
| 2756 | 922 | 112 | None | -2 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | ||
| 645 | 922 | 112 | None | -2 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | ||
| CHEMBL30 | 922 | 112 | None | -2 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | ||
| DB00501 | 922 | 112 | None | -2 | 8 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm8007618 | ||
| 9906447 | 193894 | 1 | None | -2344 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | ||
| CHEMBL2031738 | 193894 | 1 | None | -2344 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | ||
| CHEMBL555146 | 193894 | 1 | None | -2344 | 13 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | ||
| 10064805 | 101893 | 0 | None | -95 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 323 | 4 | 1 | 3 | 4.4 | CN1CCCC1CCNc1c2c(nc3ccccc13)CCCCC2 | 10.1016/s0960-894x(03)00356-1 | ||
| CHEMBL303824 | 101893 | 0 | None | -95 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 323 | 4 | 1 | 3 | 4.4 | CN1CCCC1CCNc1c2c(nc3ccccc13)CCCCC2 | 10.1016/s0960-894x(03)00356-1 | ||
| 73349359 | 92097 | 0 | None | -2 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 341 | 6 | 1 | 4 | 2.9 | COc1cc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432051 | 92097 | 0 | None | -2 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 341 | 6 | 1 | 4 | 2.9 | COc1cc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC | 10.1016/j.bmc.2013.07.045 | ||
| 44304308 | 101999 | 0 | None | -691 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 432 | 8 | 0 | 5 | 3.7 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3cccc(F)c3F)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL304027 | 101999 | 0 | None | -691 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 432 | 8 | 0 | 5 | 3.7 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3cccc(F)c3F)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44582676 | 189177 | 0 | None | -549 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 403 | 9 | 0 | 4 | 4.3 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| CHEMBL516088 | 189177 | 0 | None | -549 | 18 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 403 | 9 | 0 | 4 | 4.3 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| 132060776 | 161840 | 0 | None | -6 | 16 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | ||
| CHEMBL4165863 | 161840 | 0 | None | -6 | 16 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 419 | 4 | 0 | 4 | 4.4 | O=C(OCc1ccccc1)N1CCc2ccc(N3CCN(C4CCCC4)CC3)cc2C1 | 10.1016/j.ejmech.2018.02.024 | ||
| 73346042 | 91388 | 3 | None | -17782 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1016/j.bmc.2013.05.050 | ||
| CHEMBL2413153 | 91388 | 3 | None | -17782 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 405 | 9 | 0 | 8 | 0.9 | Cn1c(=O)cnn(CCCCN2CCN(c3ccccc3OCCF)CC2)c1=O | 10.1016/j.bmc.2013.05.050 | ||
| 44304385 | 201479 | 0 | None | -3548 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 404 | 11 | 0 | 5 | 4.4 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL64259 | 201479 | 0 | None | -3548 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 404 | 11 | 0 | 5 | 4.4 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 10455457 | 201703 | 0 | None | -3019 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 431 | 10 | 0 | 5 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)N3CCOCC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL65518 | 201703 | 0 | None | -3019 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 431 | 10 | 0 | 5 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)N3CCOCC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304066 | 201068 | 0 | None | -407 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 449 | 11 | 1 | 5 | 3.0 | CN[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL62050 | 201068 | 0 | None | -407 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 449 | 11 | 1 | 5 | 3.0 | CN[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 71452383 | 83368 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205814 | 83368 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | ||
| 1235 | 3751 | 32 | None | -3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1016/j.bmcl.2013.01.025 | ||
| 3959 | 3751 | 32 | None | -3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1016/j.bmcl.2013.01.025 | ||
| 50287 | 3751 | 32 | None | -3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1016/j.bmcl.2013.01.025 | ||
| CHEMBL269646 | 3751 | 32 | None | -3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1016/j.bmcl.2013.01.025 | ||
| 4806 | 3933 | 85 | None | -5 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | ||
| 7351 | 3933 | 85 | None | -5 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | ||
| 9966051 | 3933 | 85 | None | -5 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | ||
| CHEMBL2104993 | 3933 | 85 | None | -5 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | ||
| DB09068 | 3933 | 85 | None | -5 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | 10.1021/jm101459g | ||
| 10003483 | 4561 | 0 | None | -660 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 442 | 10 | 1 | 5 | 3.4 | Cc1cccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL103027 | 4561 | 0 | None | -660 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 442 | 10 | 1 | 5 | 3.4 | Cc1cccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL5076746 | 213739 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(N)(=O)=O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095519 | 213739 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(N)(=O)=O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 156015638 | 177687 | 0 | None | -1819 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4642520 | 177687 | 0 | None | -1819 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650832 | 177687 | 0 | None | -1819 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 10 | 1 | 2 | 5.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 168281536 | 192269 | 0 | None | -9 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 369 | 12 | 4 | 5 | 1.7 | Cc1nnc(CCCN/C(N)=N/C(=O)NCCCCCCCCN)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5189006 | 192269 | 0 | None | -9 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 369 | 12 | 4 | 5 | 1.7 | Cc1nnc(CCCN/C(N)=N/C(=O)NCCCCCCCCN)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221966 | 192269 | 0 | None | -9 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 369 | 12 | 4 | 5 | 1.7 | Cc1nnc(CCCN/C(N)=N/C(=O)NCCCCCCCCN)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 3158 | 55959 | 21 | None | -12589 | 20 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| CHEMBL1628227 | 55959 | 21 | None | -12589 | 20 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| 44304399 | 201494 | 0 | None | -91 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 418 | 13 | 0 | 5 | 4.8 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCCCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL64317 | 201494 | 0 | None | -91 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 418 | 13 | 0 | 5 | 4.8 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCCCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304376 | 201272 | 0 | None | -354 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 423 | 11 | 0 | 5 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccccn3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL63036 | 201272 | 0 | None | -354 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 423 | 11 | 0 | 5 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccccn3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304244 | 201477 | 0 | None | -1174 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 372 | 12 | 0 | 4 | 4.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(CC3CC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL64253 | 201477 | 0 | None | -1174 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 372 | 12 | 0 | 4 | 4.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(CC3CC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44335384 | 4555 | 0 | None | -2630 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.9 | CC1CCCCN1CCCOc1ccc(-c2ccc(C#N)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL102984 | 4555 | 0 | None | -2630 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.9 | CC1CCCCN1CCCOc1ccc(-c2ccc(C#N)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| 73355418 | 92100 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 325 | 5 | 0 | 3 | 3.3 | COc1ccc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432056 | 92100 | 0 | None | -1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 325 | 5 | 0 | 3 | 3.3 | COc1ccc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
| 156011186 | 177658 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 704 | 20 | 2 | 7 | 7.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4637893 | 177658 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 704 | 20 | 2 | 7 | 7.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4650588 | 177658 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 704 | 20 | 2 | 7 | 7.5 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| 168294449 | 192406 | 0 | None | -6 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5204599 | 192406 | 0 | None | -6 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222793 | 192406 | 0 | None | -6 | 6 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 367 | 7 | 4 | 5 | 1.9 | CC(CNC(=O)/N=C(\N)NCCCc1nnc(N)s1)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294161 | 192394 | 0 | None | 3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1cccc(-c2sc(N)nc2C)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5204739 | 192394 | 0 | None | 3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1cccc(-c2sc(N)nc2C)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222742 | 192394 | 0 | None | 3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1cccc(-c2sc(N)nc2C)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| 9923186 | 107043 | 0 | None | -977 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 322 | 6 | 1 | 4 | 3.1 | N#Cc1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL318801 | 107043 | 0 | None | -977 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 322 | 6 | 1 | 4 | 3.1 | N#Cc1ccc(-c2ccc(OCCCN3CC[C@H](O)C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| 12192007 | 167833 | 35 | None | -724 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 191 | 2 | 2 | 2 | 0.8 | N[C@@H](C(=O)O)C1Cc2ccccc2C1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL434785 | 167833 | 35 | None | -724 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 191 | 2 | 2 | 2 | 0.8 | N[C@@H](C(=O)O)C1Cc2ccccc2C1 | 10.1016/s0960-894x(02)00310-4 | ||
| 44304013 | 201196 | 0 | None | -363 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 401 | 8 | 1 | 5 | 2.6 | CC(C)(C)[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL62716 | 201196 | 0 | None | -363 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 401 | 8 | 1 | 5 | 2.6 | CC(C)(C)[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 72901200 | 119259 | 21 | None | -1318 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 322 | 7 | 2 | 4 | 3.8 | Cc1ccc2nc(CNCCCOc3ccccc3)cc(O)c2c1 | nan | ||
| CHEMBL3480577 | 119259 | 21 | None | -1318 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 322 | 7 | 2 | 4 | 3.8 | Cc1ccc2nc(CNCCCOc3ccccc3)cc(O)c2c1 | nan | ||
| 5291 | 205694 | 115 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 493 | 7 | 2 | 7 | 4.6 | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | nan | ||
| CHEMBL941 | 205694 | 115 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 493 | 7 | 2 | 7 | 4.6 | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | nan | ||
| 44304259 | 100135 | 0 | None | -660 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 462 | 11 | 0 | 5 | 5.4 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3sccc3Cl)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL291882 | 100135 | 0 | None | -660 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 462 | 11 | 0 | 5 | 5.4 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3sccc3Cl)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 10341609 | 198576 | 0 | None | -4365 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 412 | 11 | 1 | 5 | 3.4 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3c[nH]cn3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL59715 | 198576 | 0 | None | -4365 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 412 | 11 | 1 | 5 | 3.4 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3c[nH]cn3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 277 | 1269 | 55 | None | -43 | 46 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 2913 | 1269 | 55 | None | -43 | 46 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 765 | 1269 | 55 | None | -43 | 46 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| CHEMBL516 | 1269 | 55 | None | -43 | 46 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| DB00434 | 1269 | 55 | None | -43 | 46 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 20552188 | 116415 | 0 | None | - | 1 | Guinea pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 333 | 6 | 4 | 7 | 1.4 | CN/C(=C/[N+](=O)[O-])Nc1cccc(-c2csc(N=C(N)N)n2)c1 | 10.1021/jm00356a005 | ||
| CHEMBL33850 | 116415 | 0 | None | - | 1 | Guinea pig | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 333 | 6 | 4 | 7 | 1.4 | CN/C(=C/[N+](=O)[O-])Nc1cccc(-c2csc(N=C(N)N)n2)c1 | 10.1021/jm00356a005 | ||
| 153287553 | 170528 | 0 | None | -316 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 3.7 | C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
| CHEMBL4457754 | 170528 | 0 | None | -316 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 264 | 1 | 1 | 2 | 3.7 | C[C@@]12CN(c3ccccc3)c3ccccc3[C@@H]1CCN2 | 10.1021/acsmedchemlett.9b00225 | ||
| 164619039 | 185556 | 0 | None | 17 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 366 | 4 | 4 | 4 | 3.0 | N/C(=N\C(=O)NCc1ccccc1)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4872277 | 185556 | 0 | None | 17 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 366 | 4 | 4 | 4 | 3.0 | N/C(=N\C(=O)NCc1ccccc1)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
| 10263017 | 205719 | 2 | None | -31 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 223 | 10 | 2 | 2 | 3.0 | NCCCCCCCCCCc1c[nH]cn1 | 10.1021/jm00002a008 | ||
| CHEMBL94249 | 205719 | 2 | None | -31 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 223 | 10 | 2 | 2 | 3.0 | NCCCCCCCCCCc1c[nH]cn1 | 10.1021/jm00002a008 | ||
| 44304247 | 201112 | 0 | None | -1905 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 412 | 11 | 0 | 5 | 4.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccco3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL62312 | 201112 | 0 | None | -1905 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 412 | 11 | 0 | 5 | 4.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccco3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 5250783 | 168810 | 3 | None | -1995 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 226 | 6 | 3 | 2 | 1.6 | C/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | ||
| CHEMBL44220 | 168810 | 3 | None | -1995 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 226 | 6 | 3 | 2 | 1.6 | C/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | ||
| 164626153 | 185786 | 0 | None | 4 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccc(F)c1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4875600 | 185786 | 0 | None | 4 | 6 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccc(F)c1 | 10.1016/j.ejmech.2021.113190 | ||
| 15179508 | 202979 | 0 | None | 851 | 2 | Guinea pig | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 588 | 11 | 3 | 5 | 3.5 | N#CN/C(=N\CCNC(=O)c1cccc(I)c1)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00090a013 | ||
| CHEMBL73994 | 202979 | 0 | None | 851 | 2 | Guinea pig | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 588 | 11 | 3 | 5 | 3.5 | N#CN/C(=N\CCNC(=O)c1cccc(I)c1)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00090a013 | ||
| 2801 | 161313 | 56 | None | -12 | 29 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| CHEMBL1200710 | 161313 | 56 | None | -12 | 29 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| CHEMBL415 | 161313 | 56 | None | -12 | 29 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| 156015243 | 177653 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1081 | 29 | 4 | 13 | 8.5 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4648203 | 177653 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1081 | 29 | 4 | 13 | 8.5 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4650564 | 177653 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1081 | 29 | 4 | 13 | 8.5 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3cc(S(=O)(=O)O)ccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| 44304068 | 101864 | 0 | None | -125 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 441 | 10 | 1 | 5 | 3.5 | N[C@H](CC1CCCCC1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL303737 | 101864 | 0 | None | -125 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 441 | 10 | 1 | 5 | 3.5 | N[C@H](CC1CCCCC1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 44304030 | 199267 | 0 | None | -154 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 511 | 11 | 1 | 5 | 4.4 | N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL60189 | 199267 | 0 | None | -154 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 511 | 11 | 1 | 5 | 4.4 | N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 44304991 | 201363 | 0 | None | -1659 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 424 | 12 | 0 | 5 | 3.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(S(=O)(=O)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL63631 | 201363 | 0 | None | -1659 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 424 | 12 | 0 | 5 | 3.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(S(=O)(=O)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304294 | 201265 | 0 | None | -97 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 485 | 10 | 1 | 5 | 3.9 | N[C@H](Cc1cccc2ccccc12)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL63003 | 201265 | 0 | None | -97 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 485 | 10 | 1 | 5 | 3.9 | N[C@H](Cc1cccc2ccccc12)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL4520788 | 212215 | 6 | None | 3 | 25 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | nan | ||||
| 156021166 | 177752 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4647775 | 177752 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4651205 | 177752 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 908 | 25 | 3 | 8 | 10.3 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL5094663 | 213720 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 21830793 | 91389 | 5 | None | -14125 | 46 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | 10.1016/j.bmc.2013.05.050 | ||
| CHEMBL2413154 | 91389 | 5 | None | -14125 | 46 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | 10.1016/j.bmc.2013.05.050 | ||
| 11948707 | 165603 | 0 | None | -5248 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1 | 10.1016/j.bmcl.2006.01.052 | ||
| CHEMBL426317 | 165603 | 0 | None | -5248 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 373 | 7 | 0 | 8 | 0.6 | COc1cccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c1 | 10.1016/j.bmcl.2006.01.052 | ||
| 168295543 | 192429 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5209021 | 192429 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222929 | 192429 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 44304459 | 172021 | 0 | None | -575 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 418 | 13 | 0 | 5 | 4.8 | CCCCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL449040 | 172021 | 0 | None | -575 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 418 | 13 | 0 | 5 | 4.8 | CCCCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 53320569 | 56544 | 0 | None | 3 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 269 | 3 | 1 | 1 | 3.1 | Fc1cccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmcl.2010.11.075 | ||
| CHEMBL1643899 | 56544 | 0 | None | 3 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 269 | 3 | 1 | 1 | 3.1 | Fc1cccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmcl.2010.11.075 | ||
| 53320569 | 56544 | 0 | None | 3 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 269 | 3 | 1 | 1 | 3.1 | Fc1cccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL1643899 | 56544 | 0 | None | 3 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 269 | 3 | 1 | 1 | 3.1 | Fc1cccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | ||
| 3823 | 49936 | 38 | None | -66 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 76973198 | 49936 | 38 | None | -66 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| CHEMBL157101 | 49936 | 38 | None | -66 | 11 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 168283536 | 192288 | 0 | None | -53 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 312 | 8 | 3 | 4 | 1.6 | CCCCCNC(=O)/N=C(/N)NCCCc1nnc(C)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5187758 | 192288 | 0 | None | -53 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 312 | 8 | 3 | 4 | 1.6 | CCCCCNC(=O)/N=C(/N)NCCCc1nnc(C)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222074 | 192288 | 0 | None | -53 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 312 | 8 | 3 | 4 | 1.6 | CCCCCNC(=O)/N=C(/N)NCCCc1nnc(C)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 44304021 | 102309 | 0 | None | -562 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 374 | 8 | 0 | 5 | 3.4 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C=C(C)C)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL305313 | 102309 | 0 | None | -562 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 374 | 8 | 0 | 5 | 3.4 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C=C(C)C)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| 168278471 | 192236 | 0 | None | -18 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5183205 | 192236 | 0 | None | -18 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221757 | 192236 | 0 | None | -18 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 312 | 8 | 4 | 4 | 1.5 | CCCCCNC(=O)/N=C(\N)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 44334235 | 4548 | 0 | None | -199 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 442 | 10 | 1 | 5 | 3.4 | Cc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL102929 | 4548 | 0 | None | -199 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 442 | 10 | 1 | 5 | 3.4 | Cc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1 | 10.1016/s0960-894x(02)00685-6 | ||
| 44334503 | 4911 | 0 | None | -144 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 349 | 9 | 3 | 6 | 0.2 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@@H](N)CO)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL104994 | 4911 | 0 | None | -144 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 349 | 9 | 3 | 6 | 0.2 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@@H](N)CO)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| 44304036 | 96321 | 0 | None | -407 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 360 | 8 | 0 | 5 | 3.0 | C=C(C)C(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL264761 | 96321 | 0 | None | -407 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 360 | 8 | 0 | 5 | 3.0 | C=C(C)C(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304269 | 100065 | 0 | None | -3548 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 423 | 11 | 0 | 5 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccncc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL291394 | 100065 | 0 | None | -3548 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 423 | 11 | 0 | 5 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccncc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304037 | 102207 | 0 | None | -6165 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 362 | 9 | 0 | 5 | 3.2 | CCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL304714 | 102207 | 0 | None | -6165 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 362 | 9 | 0 | 5 | 3.2 | CCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL5094083 | 213682 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | C=C(/N=C(\C)NCCCc1nnc(N)s1)NCCCCCCCCN | 10.1016/j.bmcl.2021.128388 | ||||
| 164611143 | 184123 | 0 | None | 75 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)C(F)(F)F | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4850448 | 184123 | 0 | None | 75 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 414 | 6 | 4 | 4 | 2.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)C(F)(F)F | 10.1016/j.ejmech.2021.113190 | ||
| 44304438 | 201469 | 0 | None | -2089 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 420 | 13 | 0 | 5 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CSCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL64235 | 201469 | 0 | None | -2089 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 420 | 13 | 0 | 5 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CSCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304307 | 201533 | 0 | None | -3548 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 388 | 12 | 0 | 4 | 4.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL64479 | 201533 | 0 | None | -3548 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 388 | 12 | 0 | 4 | 4.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44335405 | 5019 | 0 | None | -194 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 321 | 6 | 1 | 4 | 2.9 | N#Cc1ccc(-c2ccc(OCCCN3CCNCC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL105594 | 5019 | 0 | None | -194 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 321 | 6 | 1 | 4 | 2.9 | N#Cc1ccc(-c2ccc(OCCCN3CCNCC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| 44304415 | 200334 | 0 | None | -9549 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 505 | 13 | 2 | 7 | 3.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL60837 | 200334 | 0 | None | -9549 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 505 | 13 | 2 | 7 | 3.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| 4543 | 169972 | 36 | None | -22 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL1201156 | 169972 | 36 | None | -22 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL445 | 169972 | 36 | None | -22 | 30 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| 44334214 | 4532 | 0 | None | -380 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 427 | 9 | 1 | 6 | 2.6 | CC(=O)c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL102840 | 4532 | 0 | None | -380 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 427 | 9 | 1 | 6 | 2.6 | CC(=O)c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| 168268827 | 192167 | 0 | None | 3 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5179906 | 192167 | 0 | None | 3 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221314 | 192167 | 0 | None | 3 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294770 | 192408 | 0 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5208327 | 192408 | 0 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222806 | 192408 | 0 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 44304325 | 199983 | 0 | None | -1096 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 389 | 11 | 1 | 4 | 3.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)NCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL60620 | 199983 | 0 | None | -1096 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 389 | 11 | 1 | 4 | 3.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)NCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44335368 | 4966 | 0 | None | -63 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3cccc(C#N)c3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL105268 | 4966 | 0 | None | -63 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3cccc(C#N)c3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| 44335238 | 5005 | 0 | None | -11220 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 348 | 6 | 0 | 3 | 5.3 | CC1CCCC(C)N1CCCOc1ccc(-c2ccc(C#N)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL105515 | 5005 | 0 | None | -11220 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 348 | 6 | 0 | 3 | 5.3 | CC1CCCC(C)N1CCCOc1ccc(-c2ccc(C#N)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| 44333987 | 108049 | 0 | None | -26 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 2.8 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL320174 | 108049 | 0 | None | -26 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 2.8 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| 44582675 | 189099 | 0 | None | -3311 | 16 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| CHEMBL515472 | 189099 | 0 | None | -3311 | 16 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| 168283321 | 192283 | 0 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 7 | 4 | 4 | 2.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5183015 | 192283 | 0 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 7 | 4 | 4 | 2.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222057 | 192283 | 0 | None | 2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 364 | 7 | 4 | 4 | 2.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1021/acs.jmedchem.1c00692 | ||
| 44304437 | 100514 | 0 | None | -426 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 404 | 11 | 1 | 5 | 3.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C(C)(C)O)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL294349 | 100514 | 0 | None | -426 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 404 | 11 | 1 | 5 | 3.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C(C)(C)O)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304049 | 101655 | 0 | None | -891 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 421 | 9 | 1 | 5 | 2.9 | N[C@@H](C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1)c1ccccc1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL302468 | 101655 | 0 | None | -891 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 421 | 9 | 1 | 5 | 2.9 | N[C@@H](C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1)c1ccccc1 | 10.1016/s0960-894x(02)00310-4 | ||
| 146025727 | 171109 | 0 | None | -93 | 27 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4466483 | 171109 | 0 | None | -93 | 27 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL5087637 | 213769 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095891 | 213769 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 44304304 | 169485 | 0 | None | -3981 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 423 | 9 | 0 | 6 | 3.5 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)/C=C/c3cccnc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL444307 | 169485 | 0 | None | -3981 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 423 | 9 | 0 | 6 | 3.5 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)/C=C/c3cccnc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| 1248 | 1391 | 27 | None | -123 | 7 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1016/j.bmcl.2010.10.041 | ||
| 3077 | 1391 | 27 | None | -123 | 7 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1016/j.bmcl.2010.10.041 | ||
| 90045 | 1391 | 27 | None | -123 | 7 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL12344 | 1391 | 27 | None | -123 | 7 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | 10.1016/j.bmcl.2010.10.041 | ||
| 145988693 | 166602 | 0 | None | -10 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 524 | 7 | 1 | 3 | 7.1 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| CHEMBL4291048 | 166602 | 0 | None | -10 | 17 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 524 | 7 | 1 | 3 | 7.1 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| 2520 | 202301 | 65 | None | -20 | 12 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
| CHEMBL1280 | 202301 | 65 | None | -20 | 12 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
| CHEMBL6966 | 202301 | 65 | None | -20 | 12 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | nan | ||
| 2726 | 904 | 64 | None | -85 | 73 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 621 | 904 | 64 | None | -85 | 73 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 83 | 904 | 64 | None | -85 | 73 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL71 | 904 | 64 | None | -85 | 73 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| DB00477 | 904 | 64 | None | -85 | 73 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 168273745 | 192196 | 0 | None | -13 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5178472 | 192196 | 0 | None | -13 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221451 | 192196 | 0 | None | -13 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 332 | 6 | 4 | 4 | 1.5 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1cnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 155543832 | 172630 | 0 | None | -234 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 451 | 6 | 3 | 7 | 3.4 | O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CCl)[C@H]1O | 10.1021/acs.jmedchem.8b01662 | ||
| CHEMBL4522864 | 172630 | 0 | None | -234 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 451 | 6 | 3 | 7 | 3.4 | O[C@H]1[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CCl)[C@H]1O | 10.1021/acs.jmedchem.8b01662 | ||
| 1204 | 1893 | 114 | None | -173 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 1247 | 1893 | 114 | None | -173 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 1375 | 1893 | 114 | None | -173 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| 774 | 1893 | 114 | None | -173 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| CHEMBL90 | 1893 | 114 | None | -173 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| DB05381 | 1893 | 114 | None | -173 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2021.128388 | ||
| CHEMBL5077939 | 213755 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095769 | 213755 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)c2cc(S(=O)(=O)[O-])ccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5093461 | 213767 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095884 | 213767 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2nnc(N)s2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| 1204 | 1893 | 114 | None | -173 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 1247 | 1893 | 114 | None | -173 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 1375 | 1893 | 114 | None | -173 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 774 | 1893 | 114 | None | -173 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL90 | 1893 | 114 | None | -173 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| DB05381 | 1893 | 114 | None | -173 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.ejmech.2021.113190 | ||
| 1204 | 1893 | 114 | None | -173 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1247 | 1893 | 114 | None | -173 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1375 | 1893 | 114 | None | -173 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 774 | 1893 | 114 | None | -173 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL90 | 1893 | 114 | None | -173 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| DB05381 | 1893 | 114 | None | -173 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.1c00692 | ||
| 156015793 | 177674 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4645867 | 177674 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4650701 | 177674 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 880 | 23 | 3 | 8 | 9.5 | C[N+]1=C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| 44304091 | 201253 | 0 | None | -338 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 432 | 14 | 0 | 5 | 5.2 | CCCCCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL62949 | 201253 | 0 | None | -338 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 432 | 14 | 0 | 5 | 5.2 | CCCCCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304516 | 164793 | 0 | None | -630 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 357 | 8 | 1 | 5 | 1.5 | O=C1C[C@H](N2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)CC2)N1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL423666 | 164793 | 0 | None | -630 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 357 | 8 | 1 | 5 | 1.5 | O=C1C[C@H](N2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)CC2)N1 | 10.1016/s0960-894x(02)00310-4 | ||
| 18609376 | 202646 | 61 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
| 6279 | 202646 | 61 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
| CHEMBL717 | 202646 | 61 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | nan | ||
| 44304256 | 167445 | 0 | None | -1000 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 360 | 12 | 0 | 4 | 4.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(CCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL432144 | 167445 | 0 | None | -1000 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 360 | 12 | 0 | 4 | 4.2 | CCCCCC(=O)c1ccc(OCCCN2CCN(CCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304032 | 199792 | 0 | None | -616 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 413 | 11 | 0 | 6 | 3.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cnco3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL60509 | 199792 | 0 | None | -616 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 413 | 11 | 0 | 6 | 3.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cnco3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 53324045 | 56761 | 0 | None | -7 | 16 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 487 | 7 | 1 | 2 | 7.3 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| CHEMBL1644980 | 56761 | 0 | None | -7 | 16 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 487 | 7 | 1 | 2 | 7.3 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| 164614549 | 184350 | 0 | None | -2 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 340 | 9 | 4 | 4 | 2.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4853668 | 184350 | 0 | None | -2 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 340 | 9 | 4 | 4 | 2.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| 164619208 | 185070 | 0 | None | 446 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccccc1F | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4864852 | 185070 | 0 | None | 446 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccccc1F | 10.1016/j.ejmech.2021.113190 | ||
| 2284 | 3121 | 27 | None | -53 | 29 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 4926 | 3121 | 27 | None | -53 | 29 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 7281 | 3121 | 27 | None | -53 | 29 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| CHEMBL564 | 3121 | 27 | None | -53 | 29 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| DB00420 | 3121 | 27 | None | -53 | 29 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 71525681 | 89284 | 0 | None | -346 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 298 | 3 | 2 | 6 | 1.7 | CNC1CN(c2nc(N)nc3cc(C4CCCC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376803 | 89284 | 0 | None | -346 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 298 | 3 | 2 | 6 | 1.7 | CNC1CN(c2nc(N)nc3cc(C4CCCC4)cnc23)C1 | 10.1016/j.bmcl.2013.02.091 | ||
| 132060743 | 161674 | 0 | None | -1 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 351 | 3 | 0 | 4 | 3.1 | CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
| CHEMBL4163428 | 161674 | 0 | None | -1 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 351 | 3 | 0 | 4 | 3.1 | CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
| 3191 | 102372 | 93 | None | -24 | 25 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| CHEMBL305660 | 102372 | 93 | None | -24 | 25 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| 44335387 | 108050 | 0 | None | -1023 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL320178 | 108050 | 0 | None | -1023 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 393 | 7 | 0 | 5 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| 44334406 | 4779 | 0 | None | -75 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 462 | 10 | 1 | 5 | 3.8 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL104344 | 4779 | 0 | None | -75 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 462 | 10 | 1 | 5 | 3.8 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
| 44334368 | 108717 | 0 | None | -57 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 506 | 10 | 1 | 5 | 3.9 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(Br)cc3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL321709 | 108717 | 0 | None | -57 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 506 | 10 | 1 | 5 | 3.9 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(Br)cc3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
| 1204 | 1893 | 114 | None | -173 | 25 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
| 1247 | 1893 | 114 | None | -173 | 25 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
| 1375 | 1893 | 114 | None | -173 | 25 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
| 774 | 1893 | 114 | None | -173 | 25 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL90 | 1893 | 114 | None | -173 | 25 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
| DB05381 | 1893 | 114 | None | -173 | 25 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acsmedchemlett.0c00033 | ||
| 44304291 | 201155 | 0 | None | -6606 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 388 | 11 | 0 | 4 | 4.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL62527 | 201155 | 0 | None | -6606 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 388 | 11 | 0 | 4 | 4.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 168294767 | 192407 | 0 | None | -117 | 20 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5207281 | 192407 | 0 | None | -117 | 20 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222802 | 192407 | 0 | None | -117 | 20 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 136092260 | 102481 | 6 | None | - | 1 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 363 | 8 | 2 | 7 | 2.7 | Nc1n[s+]([O-])nc1NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00345a002 | ||
| 5486883 | 102481 | 6 | None | - | 1 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 363 | 8 | 2 | 7 | 2.7 | Nc1n[s+]([O-])nc1NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00345a002 | ||
| CHEMBL306465 | 102481 | 6 | None | - | 1 | Guinea pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 363 | 8 | 2 | 7 | 2.7 | Nc1n[s+]([O-])nc1NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00345a002 | ||
| CHEMBL5078202 | 213750 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095695 | 213750 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1 | 10.1016/j.bmcl.2021.128388 | ||||
| 164627241 | 185837 | 0 | None | 95 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 438 | 6 | 4 | 4 | 3.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(Br)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4876267 | 185837 | 0 | None | 95 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 438 | 6 | 4 | 4 | 3.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(Br)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164618508 | 185340 | 0 | None | 165 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 374 | 6 | 4 | 4 | 2.7 | Cc1ccc(C(C)NC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4869194 | 185340 | 0 | None | 165 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 374 | 6 | 4 | 4 | 2.7 | Cc1ccc(C(C)NC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 10324985 | 76413 | 7 | None | -223 | 17 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | ||
| CHEMBL199824 | 76413 | 7 | None | -223 | 17 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | ||
| CHEMBL2068762 | 76413 | 7 | None | -223 | 17 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 423 | 7 | 0 | 8 | 1.7 | COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 | 10.1021/jm050725j | ||
| 156010170 | 177749 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 414 | 13 | 3 | 7 | 2.3 | NCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4632998 | 177749 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 414 | 13 | 3 | 7 | 2.3 | NCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4651192 | 177749 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 414 | 13 | 3 | 7 | 2.3 | NCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O | 10.1021/acsmedchemlett.0c00033 | ||
| 168277996 | 192234 | 0 | None | -20 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5173373 | 192234 | 0 | None | -20 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221736 | 192234 | 0 | None | -20 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 380 | 4 | 4 | 4 | 3.3 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCc2ccccc2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168278543 | 192239 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 358 | 4 | 4 | 4 | 1.6 | N/C(=N\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5184846 | 192239 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 358 | 4 | 4 | 4 | 1.6 | N/C(=N\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221764 | 192239 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 358 | 4 | 4 | 4 | 1.6 | N/C(=N\C(=O)NCc1ccccc1)NCC1CCc2nc(N)sc2C1 | 10.1021/acs.jmedchem.1c00692 | ||
| 1231 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00090a013 | ||
| 2756 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00090a013 | ||
| 645 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00090a013 | ||
| CHEMBL30 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00090a013 | ||
| DB00501 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00090a013 | ||
| 1599 | 2299 | 47 | None | -154 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 3955 | 2299 | 47 | None | -154 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 7215 | 2299 | 47 | None | -154 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL841 | 2299 | 47 | None | -154 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| DB00836 | 2299 | 47 | None | -154 | 16 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | nan | ||
| 73349361 | 92102 | 0 | None | -3 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 279 | 4 | 0 | 1 | 3.3 | CN(CCc1ccccc1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432058 | 92102 | 0 | None | -3 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 279 | 4 | 0 | 1 | 3.3 | CN(CCc1ccccc1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
| 168294178 | 192423 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 414 | 5 | 4 | 4 | 4.4 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5205197 | 192423 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 414 | 5 | 4 | 4 | 4.4 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222887 | 192423 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 414 | 5 | 4 | 4 | 4.4 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 164609493 | 183844 | 0 | None | -1 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 350 | 6 | 4 | 5 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccco1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4846380 | 183844 | 0 | None | -1 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 350 | 6 | 4 | 5 | 1.9 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccco1 | 10.1016/j.ejmech.2021.113190 | ||
| 164614907 | 183991 | 0 | None | 323 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(F)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4848697 | 183991 | 0 | None | 323 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 378 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(F)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 1235 | 3751 | 32 | None | 1 | 5 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1021/jm00356a005 | ||
| 3959 | 3751 | 32 | None | 1 | 5 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1021/jm00356a005 | ||
| 50287 | 3751 | 32 | None | 1 | 5 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1021/jm00356a005 | ||
| CHEMBL269646 | 3751 | 32 | None | 1 | 5 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1021/jm00356a005 | ||
| 44334521 | 107337 | 0 | None | -36 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 262 | 6 | 1 | 4 | 1.7 | CC(=O)c1ccc(OCCCN2CC[C@H](N)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL319231 | 107337 | 0 | None | -36 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 262 | 6 | 1 | 4 | 1.7 | CC(=O)c1ccc(OCCCN2CC[C@H](N)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| 168286141 | 192312 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5192993 | 192312 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222231 | 192312 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 450 | 8 | 4 | 4 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 44281115 | 99239 | 0 | None | - | 1 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 348 | 4 | 5 | 8 | 2.0 | N=C(N)Nc1nc(-c2cccc(Nc3n[s+]([O-])nc3N)c2)cs1 | 10.1021/jm00356a005 | ||
| CHEMBL284743 | 99239 | 0 | None | - | 1 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 348 | 4 | 5 | 8 | 2.0 | N=C(N)Nc1nc(-c2cccc(Nc3n[s+]([O-])nc3N)c2)cs1 | 10.1021/jm00356a005 | ||
| 14022519 | 168781 | 0 | None | - | 1 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 314 | 3 | 4 | 5 | 1.2 | C/N=C(\NC#N)Nc1cccc(-c2csc(N=C(N)N)n2)c1 | 10.1021/jm00356a005 | ||
| CHEMBL441965 | 168781 | 0 | None | - | 1 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 314 | 3 | 4 | 5 | 1.2 | C/N=C(\NC#N)Nc1cccc(-c2csc(N=C(N)N)n2)c1 | 10.1021/jm00356a005 | ||
| 50898777 | 56131 | 0 | None | -29512 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 441 | 9 | 1 | 6 | 3.6 | COC(=O)CCCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1 | 10.1016/j.bmc.2010.10.011 | ||
| CHEMBL1632158 | 56131 | 0 | None | -29512 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 441 | 9 | 1 | 6 | 3.6 | COC(=O)CCCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1 | 10.1016/j.bmc.2010.10.011 | ||
| 11723317 | 102408 | 0 | None | -100 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 316 | 9 | 3 | 2 | 2.8 | S=C(NCCCCCc1c[nH]cn1)NCCc1ccccc1 | 10.1021/jm00012a025 | ||
| CHEMBL305929 | 102408 | 0 | None | -100 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 316 | 9 | 3 | 2 | 2.8 | S=C(NCCCCCc1c[nH]cn1)NCCc1ccccc1 | 10.1021/jm00012a025 | ||
| 164610421 | 184668 | 0 | None | 7 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 332 | 5 | 4 | 4 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)Nc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4858567 | 184668 | 0 | None | 7 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 332 | 5 | 4 | 4 | 2.1 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)Nc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 71525679 | 89282 | 0 | None | -223 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 272 | 3 | 2 | 6 | 1.0 | CCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| CHEMBL2376801 | 89282 | 0 | None | -223 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 272 | 3 | 2 | 6 | 1.0 | CCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1 | 10.1016/j.bmcl.2013.02.091 | ||
| 10833949 | 56880 | 0 | None | -2570 | 3 | Guinea pig | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 385 | 6 | 2 | 3 | 2.9 | O=C(NCc1ccc(I)cc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| CHEMBL16496 | 56880 | 0 | None | -2570 | 3 | Guinea pig | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 385 | 6 | 2 | 3 | 2.9 | O=C(NCc1ccc(I)cc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| 10420190 | 205023 | 0 | None | -31 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 195 | 8 | 2 | 2 | 2.3 | NCCCCCCCCc1c[nH]cn1 | 10.1021/jm00002a008 | ||
| CHEMBL90063 | 205023 | 0 | None | -31 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 195 | 8 | 2 | 2 | 2.3 | NCCCCCCCCc1c[nH]cn1 | 10.1021/jm00002a008 | ||
| 44304558 | 100537 | 0 | None | -10000 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 374 | 11 | 0 | 4 | 3.8 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL294502 | 100537 | 0 | None | -10000 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 374 | 11 | 0 | 4 | 3.8 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304288 | 101724 | 0 | None | -14791 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 386 | 11 | 0 | 4 | 3.8 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C3CC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL302886 | 101724 | 0 | None | -14791 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 386 | 11 | 0 | 4 | 3.8 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C3CC3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304451 | 101807 | 0 | None | -1862 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 417 | 12 | 1 | 5 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL303369 | 101807 | 0 | None | -1862 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 417 | 12 | 1 | 5 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| 25128822 | 186888 | 0 | None | -5888 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 295 | 1 | 1 | 5 | 1.6 | CN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL494093 | 186888 | 0 | None | -5888 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 295 | 1 | 1 | 5 | 1.6 | CN1CCN(c2nc(N)nc3c2CCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| 44281238 | 112456 | 0 | None | - | 1 | Guinea pig | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 333 | 6 | 4 | 7 | 1.4 | CN/C(=C\[N+](=O)[O-])Nc1ccc(-c2csc(N=C(N)N)n2)cc1 | 10.1021/jm00356a005 | ||
| CHEMBL33108 | 112456 | 0 | None | - | 1 | Guinea pig | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 333 | 6 | 4 | 7 | 1.4 | CN/C(=C\[N+](=O)[O-])Nc1ccc(-c2csc(N=C(N)N)n2)cc1 | 10.1021/jm00356a005 | ||
| 44455426 | 154598 | 0 | None | -346 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| CHEMBL402143 | 154598 | 0 | None | -346 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 405 | 9 | 1 | 4 | 4.2 | COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| 71456046 | 83647 | 0 | None | -2089 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 389 | 6 | 0 | 4 | 4.2 | COc1ccccc1N1CCN(Cc2cc(CN(C)C)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | ||
| CHEMBL2207637 | 83647 | 0 | None | -2089 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 389 | 6 | 0 | 4 | 4.2 | COc1ccccc1N1CCN(Cc2cc(CN(C)C)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | ||
| 44307779 | 201856 | 0 | None | -275 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 332 | 2 | 0 | 2 | 4.7 | C(#Cc1c2c(nc3ccccc13)CCCCC2)CCN1CCCCC1 | 10.1016/s0960-894x(03)00356-1 | ||
| CHEMBL66660 | 201856 | 0 | None | -275 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 332 | 2 | 0 | 2 | 4.7 | C(#Cc1c2c(nc3ccccc13)CCCCC2)CCN1CCCCC1 | 10.1016/s0960-894x(03)00356-1 | ||
| 156015643 | 177710 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4645213 | 177710 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4650968 | 177710 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1001 | 28 | 3 | 11 | 9.2 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL5092102 | 213562 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1c[nH]cn1 | 10.1016/j.bmcl.2021.128388 | ||||
| 168274129 | 192197 | 0 | None | -6 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 370 | 12 | 5 | 6 | 1.0 | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5176780 | 192197 | 0 | None | -6 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 370 | 12 | 5 | 6 | 1.0 | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221468 | 192197 | 0 | None | -6 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 370 | 12 | 5 | 6 | 1.0 | NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 44334212 | 4546 | 0 | None | -72 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 456 | 11 | 1 | 5 | 3.7 | CCc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL102925 | 4546 | 0 | None | -72 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 456 | 11 | 1 | 5 | 3.7 | CCc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| 168273549 | 192191 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5174342 | 192191 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221438 | 192191 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 436 | 6 | 4 | 4 | 4.3 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 44335430 | 5210 | 0 | None | -144 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 374 | 7 | 0 | 5 | 4.0 | CCOC(=O)N1CCN(CCCOc2ccc(-c3cccs3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL106602 | 5210 | 0 | None | -144 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 374 | 7 | 0 | 5 | 4.0 | CCOC(=O)N1CCN(CCCOc2ccc(-c3cccs3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| 44304064 | 102324 | 0 | None | -1096 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 451 | 10 | 2 | 6 | 2.5 | N[C@H](Cc1ccc(O)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL305371 | 102324 | 0 | None | -1096 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 451 | 10 | 2 | 6 | 2.5 | N[C@H](Cc1ccc(O)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 164611807 | 184391 | 0 | None | 162 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 376 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4854278 | 184391 | 0 | None | 162 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 376 | 6 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)N[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 122442272 | 137807 | 0 | None | -120 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769968 | 137807 | 0 | None | -120 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771384 | 137807 | 0 | None | -120 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 122442272 | 137807 | 0 | None | -120 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3769968 | 137807 | 0 | None | -120 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| CHEMBL3771384 | 137807 | 0 | None | -120 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 239 | 5 | 1 | 2 | 2.6 | C=CCOc1cc(F)c(F)cc1C1CC1CN | 10.1021/acs.jmedchem.5b01153 | ||
| 44335336 | 4475 | 0 | None | -263 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 335 | 6 | 1 | 4 | 3.4 | N#Cc1ccc(-c2ccc(OCCCN3CCC(N)CC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL102452 | 4475 | 0 | None | -263 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 335 | 6 | 1 | 4 | 3.4 | N#Cc1ccc(-c2ccc(OCCCN3CCC(N)CC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| 168268680 | 192154 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5172675 | 192154 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221210 | 192154 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2ccc(-c3sc(N)nc3C)cc2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 44304445 | 201290 | 0 | None | -30 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 531 | 14 | 1 | 6 | 5.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL63112 | 201290 | 0 | None | -30 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 531 | 14 | 1 | 6 | 5.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| 44304462 | 201184 | 0 | None | -4897 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 405 | 12 | 2 | 6 | 1.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)CO)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL62660 | 201184 | 0 | None | -4897 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 405 | 12 | 2 | 6 | 1.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)CO)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| 44304741 | 201219 | 0 | None | -3388 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 466 | 13 | 1 | 6 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](N)Cc3ccncc3)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL62808 | 201219 | 0 | None | -3388 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 466 | 13 | 1 | 6 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](N)Cc3ccncc3)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| 73355417 | 92093 | 0 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 251 | 3 | 1 | 1 | 2.9 | c1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432045 | 92093 | 0 | None | 1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 251 | 3 | 1 | 1 | 2.9 | c1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1 | 10.1016/j.bmc.2013.07.045 | ||
| 237 | 203147 | 43 | None | -3 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL546257 | 203147 | 43 | None | -3 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL554190 | 203147 | 43 | None | -3 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL7568 | 203147 | 43 | None | -3 | 13 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| 164614841 | 184682 | 0 | None | 223 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 388 | 7 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4858849 | 184682 | 0 | None | 223 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 388 | 7 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)C(C)C | 10.1016/j.ejmech.2021.113190 | ||
| 44333988 | 4452 | 0 | None | -93 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 367 | 8 | 1 | 5 | 2.6 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3cccnc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL102331 | 4452 | 0 | None | -93 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 367 | 8 | 1 | 5 | 2.6 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3cccnc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| 156013896 | 177655 | 0 | None | -1548 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4635634 | 177655 | 0 | None | -1548 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| CHEMBL4650570 | 177655 | 0 | None | -1548 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 401 | 9 | 1 | 2 | 5.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1 | 10.1021/acs.jmedchem.0c00160 | ||
| 135398737 | 942 | 89 | None | -64 | 92 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 38 | 942 | 89 | None | -64 | 92 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 722 | 942 | 89 | None | -64 | 92 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| CHEMBL42 | 942 | 89 | None | -64 | 92 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| DB00363 | 942 | 89 | None | -64 | 92 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 71455894 | 83374 | 0 | None | -3 | 12 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205827 | 83374 | 0 | None | -3 | 12 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | ||
| 71455894 | 83374 | 0 | None | -3 | 12 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2205827 | 83374 | 0 | None | -3 | 12 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
| 44335407 | 171268 | 0 | None | -15 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 452 | 8 | 0 | 5 | 4.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL446885 | 171268 | 0 | None | -15 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 452 | 8 | 0 | 5 | 4.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| 26987 | 934 | 29 | None | -177 | 21 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 6063 | 934 | 29 | None | -177 | 21 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 671 | 934 | 29 | None | -177 | 21 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| CHEMBL1626 | 934 | 29 | None | -177 | 21 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| DB00283 | 934 | 29 | None | -177 | 21 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | nan | ||
| 155513890 | 169243 | 0 | None | -177 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 369 | 2 | 2 | 5 | 4.1 | Clc1ccc(C#Cc2nc(N[C@H]3C[C@H]4CC[C@@H]3C4)c3nc[nH]c3n2)s1 | 10.1039/C8MD00317C | ||
| CHEMBL4439593 | 169243 | 0 | None | -177 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 369 | 2 | 2 | 5 | 4.1 | Clc1ccc(C#Cc2nc(N[C@H]3C[C@H]4CC[C@@H]3C4)c3nc[nH]c3n2)s1 | 10.1039/C8MD00317C | ||
| 126720252 | 164112 | 0 | None | -12 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 697 | 15 | 2 | 6 | 9.2 | NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4216870 | 164112 | 0 | None | -12 | 12 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 697 | 15 | 2 | 6 | 9.2 | NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | ||
| 164618283 | 183951 | 0 | None | 158 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 390 | 7 | 4 | 5 | 2.4 | COc1ccc(C(C)NC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4848026 | 183951 | 0 | None | 158 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 390 | 7 | 4 | 5 | 2.4 | COc1ccc(C(C)NC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 44304282 | 201414 | 0 | None | -12 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 410 | 8 | 0 | 5 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3cccc(C)c3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL64021 | 201414 | 0 | None | -12 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 410 | 8 | 0 | 5 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3cccc(C)c3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304383 | 201603 | 0 | None | -371 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 418 | 12 | 0 | 5 | 4.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL64775 | 201603 | 0 | None | -371 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 418 | 12 | 0 | 5 | 4.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)OCC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304753 | 201496 | 0 | None | -4073 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 466 | 13 | 1 | 6 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)Cc3ccncc3)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL64321 | 201496 | 0 | None | -4073 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 466 | 13 | 1 | 6 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@H](N)Cc3ccncc3)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| 9818650 | 201822 | 0 | None | -1513 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 323 | 5 | 1 | 3 | 4.4 | c1ccc2c(NCCCN3CCCC3)c3c(nc2c1)CCCCC3 | 10.1016/s0960-894x(03)00356-1 | ||
| CHEMBL66388 | 201822 | 0 | None | -1513 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 323 | 5 | 1 | 3 | 4.4 | c1ccc2c(NCCCN3CCCC3)c3c(nc2c1)CCCCC3 | 10.1016/s0960-894x(03)00356-1 | ||
| CHEMBL4777443 | 212276 | 0 | None | -181 | 14 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | CC(C)(C)OC(=O)N1CCCC1CN[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 | nan | ||||
| 44334782 | 5338 | 0 | None | -91 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 442 | 10 | 1 | 5 | 3.4 | Cc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL107293 | 5338 | 0 | None | -91 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 442 | 10 | 1 | 5 | 3.4 | Cc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| 168276867 | 192223 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5174278 | 192223 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221653 | 192223 | 0 | None | -1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 662 | 11 | 8 | 8 | 4.8 | Cc1nc(N)sc1-c1cccc(N/C(N)=N/C(=O)NCCCCCCNC(=O)/N=C(\N)Nc2cccc(-c3sc(N)nc3C)c2)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| 44335571 | 5185 | 0 | None | -1513 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 3.3 | N#Cc1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL106483 | 5185 | 0 | None | -1513 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 3.3 | N#Cc1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| 44304450 | 201170 | 0 | None | -478 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 417 | 12 | 1 | 5 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](N)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL62592 | 201170 | 0 | None | -478 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 417 | 12 | 1 | 5 | 3.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](N)C(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| 168283097 | 192281 | 0 | None | -22 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 9 | 4 | 5 | 0.8 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)o1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5186770 | 192281 | 0 | None | -22 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 9 | 4 | 5 | 0.8 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)o1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222043 | 192281 | 0 | None | -22 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 311 | 9 | 4 | 5 | 0.8 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)o1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168284480 | 192298 | 0 | None | -22 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 330 | 6 | 4 | 4 | 1.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5197548 | 192298 | 0 | None | -22 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 330 | 6 | 4 | 4 | 1.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222137 | 192298 | 0 | None | -22 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 330 | 6 | 4 | 4 | 1.3 | Cc1nc(N)oc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 73346334 | 92095 | 0 | None | -4 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 265 | 4 | 1 | 1 | 3.0 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432048 | 92095 | 0 | None | -4 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 265 | 4 | 1 | 1 | 3.0 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1 | 10.1016/j.bmc.2013.07.045 | ||
| 164608815 | 183862 | 0 | None | 1 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 7 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4846638 | 183862 | 0 | None | 1 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 7 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)C1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| 4011 | 81982 | 43 | None | -27 | 24 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| CHEMBL21731 | 81982 | 43 | None | -27 | 24 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| 136002184 | 99211 | 0 | None | - | 1 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 362 | 5 | 4 | 8 | 2.0 | CNc1n[s+]([O-])nc1Nc1cccc(-c2csc(N=C(N)N)n2)c1 | 10.1021/jm00356a005 | ||
| 44281474 | 99211 | 0 | None | - | 1 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 362 | 5 | 4 | 8 | 2.0 | CNc1n[s+]([O-])nc1Nc1cccc(-c2csc(N=C(N)N)n2)c1 | 10.1021/jm00356a005 | ||
| CHEMBL284556 | 99211 | 0 | None | - | 1 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 362 | 5 | 4 | 8 | 2.0 | CNc1n[s+]([O-])nc1Nc1cccc(-c2csc(N=C(N)N)n2)c1 | 10.1021/jm00356a005 | ||
| 10588560 | 96113 | 0 | None | -165 | 3 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.4 | O=C(NCc1ccc(F)cc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| CHEMBL263070 | 96113 | 0 | None | -165 | 3 | Guinea pig | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 277 | 6 | 2 | 3 | 2.4 | O=C(NCc1ccc(F)cc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| 44335237 | 5037 | 0 | None | -144 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 407 | 7 | 0 | 5 | 4.1 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(C#N)cc3C)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL105669 | 5037 | 0 | None | -144 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 407 | 7 | 0 | 5 | 4.1 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(C#N)cc3C)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| 3032915 | 15306 | 20 | None | -25 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | ||
| CHEMBL12160 | 15306 | 20 | None | -25 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | ||
| 10085839 | 202787 | 0 | None | -125 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 294 | 7 | 3 | 2 | 2.9 | S=C(NCCCCCc1c[nH]cn1)NC1CCCCC1 | 10.1021/jm00012a025 | ||
| CHEMBL72571 | 202787 | 0 | None | -125 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 294 | 7 | 3 | 2 | 2.9 | S=C(NCCCCCc1c[nH]cn1)NC1CCCCC1 | 10.1021/jm00012a025 | ||
| 3032915 | 15306 | 20 | None | -25 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL12160 | 15306 | 20 | None | -25 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | 10.1016/j.bmcl.2010.10.041 | ||
| 164619427 | 185477 | 0 | None | 7 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 380 | 5 | 4 | 4 | 3.1 | N/C(=N\C(=O)NCCc1ccccc1)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4871221 | 185477 | 0 | None | 7 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 380 | 5 | 4 | 4 | 3.1 | N/C(=N\C(=O)NCCc1ccccc1)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
| 10358195 | 57143 | 0 | None | -2570 | 3 | Guinea pig | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 313 | 5 | 2 | 3 | 3.6 | O=C(Nc1ccc(C(F)(F)F)cc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| CHEMBL16565 | 57143 | 0 | None | -2570 | 3 | Guinea pig | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 313 | 5 | 2 | 3 | 3.6 | O=C(Nc1ccc(C(F)(F)F)cc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| 10660952 | 97659 | 0 | None | -602 | 3 | Guinea pig | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 287 | 7 | 1 | 3 | 3.0 | CCN(Cc1ccccc1)C(=O)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| CHEMBL273549 | 97659 | 0 | None | -602 | 3 | Guinea pig | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 287 | 7 | 1 | 3 | 3.0 | CCN(Cc1ccccc1)C(=O)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| 1204 | 1893 | 114 | None | -173 | 25 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm00002a008 | ||
| 1247 | 1893 | 114 | None | -173 | 25 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm00002a008 | ||
| 1375 | 1893 | 114 | None | -173 | 25 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm00002a008 | ||
| 774 | 1893 | 114 | None | -173 | 25 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm00002a008 | ||
| CHEMBL90 | 1893 | 114 | None | -173 | 25 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm00002a008 | ||
| DB05381 | 1893 | 114 | None | -173 | 25 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/jm00002a008 | ||
| 44304387 | 201230 | 0 | None | -7943 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 334 | 7 | 0 | 5 | 2.4 | CCOC(=O)N1CCN(CCCOc2ccc(C(C)=O)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL62840 | 201230 | 0 | None | -7943 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 334 | 7 | 0 | 5 | 2.4 | CCOC(=O)N1CCN(CCCOc2ccc(C(C)=O)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304312 | 162225 | 0 | None | -1348 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 453 | 10 | 1 | 5 | 2.9 | N[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL417215 | 162225 | 0 | None | -1348 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 453 | 10 | 1 | 5 | 2.9 | N[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 44281484 | 109850 | 0 | None | - | 1 | Guinea pig | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 254 | 2 | 3 | 3 | 1.9 | C/N=C(\NC#N)Nc1cccc(-c2[nH]cnc2C)c1 | 10.1021/jm00356a005 | ||
| CHEMBL32409 | 109850 | 0 | None | - | 1 | Guinea pig | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 254 | 2 | 3 | 3 | 1.9 | C/N=C(\NC#N)Nc1cccc(-c2[nH]cnc2C)c1 | 10.1021/jm00356a005 | ||
| 164612037 | 184785 | 0 | None | -85 | 20 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4860528 | 184785 | 0 | None | -85 | 20 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1016/j.ejmech.2021.113190 | ||
| 46884734 | 7875 | 0 | None | -6 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 341 | 6 | 0 | 4 | 3.7 | COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(F)ccc21 | 10.1016/j.bmcl.2010.07.117 | ||
| CHEMBL1090526 | 7875 | 0 | None | -6 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 341 | 6 | 0 | 4 | 3.7 | COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(F)ccc21 | 10.1016/j.bmcl.2010.07.117 | ||
| 168273471 | 192189 | 0 | None | 12 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 596 | 17 | 8 | 10 | 0.7 | N/C(=N\C(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5173079 | 192189 | 0 | None | 12 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 596 | 17 | 8 | 10 | 0.7 | N/C(=N\C(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221433 | 192189 | 0 | None | 12 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 596 | 17 | 8 | 10 | 0.7 | N/C(=N\C(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 71452382 | 83366 | 0 | None | -12 | 10 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205812 | 83366 | 0 | None | -12 | 10 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
| 44334035 | 109543 | 0 | None | -79 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 476 | 10 | 1 | 7 | 4.1 | O=C(N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1)c1csc(-c2cccnc2)n1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL323517 | 109543 | 0 | None | -79 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 476 | 10 | 1 | 7 | 4.1 | O=C(N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1)c1csc(-c2cccnc2)n1 | 10.1016/s0960-894x(02)00685-6 | ||
| 44334281 | 4676 | 0 | None | -128 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 2.8 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL103828 | 4676 | 0 | None | -128 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 2.8 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| 145980875 | 166143 | 0 | None | -3 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 443 | 7 | 1 | 2 | 6.2 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCCc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| CHEMBL4282702 | 166143 | 0 | None | -3 | 11 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 443 | 7 | 1 | 2 | 6.2 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCCc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| 1530 | 2142 | 44 | None | -151 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 3827 | 2142 | 44 | None | -151 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 7206 | 2142 | 44 | None | -151 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| CHEMBL534 | 2142 | 44 | None | -151 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| DB00920 | 2142 | 44 | None | -151 | 21 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| CHEMBL5090859 | 213499 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | ||||
| 44478385 | 5684 | 2 | None | -70 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 342 | 9 | 3 | 4 | 2.5 | N#C/N=C(/NCCCCc1c[nH]cn1)NCCSc1ccccc1 | 10.1021/jm900526h | ||
| CHEMBL1078642 | 5684 | 2 | None | -70 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 342 | 9 | 3 | 4 | 2.5 | N#C/N=C(/NCCCCc1c[nH]cn1)NCCSc1ccccc1 | 10.1021/jm900526h | ||
| 44304012 | 201135 | 0 | None | -21379 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 389 | 11 | 1 | 5 | 2.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](C)N)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL62421 | 201135 | 0 | None | -21379 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 389 | 11 | 1 | 5 | 2.7 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](C)N)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| 1129 | 1584 | 89 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
| 3325 | 1584 | 89 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
| 5353622 | 1584 | 89 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
| 5702160 | 1584 | 89 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
| 7074 | 1584 | 89 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
| CHEMBL902 | 1584 | 89 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
| DB00927 | 1584 | 89 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | nan | ||
| 12016525 | 201217 | 0 | None | -2041 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 1.5 | C[C@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL62804 | 201217 | 0 | None | -2041 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 1.5 | C[C@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 71457844 | 83648 | 0 | None | -2187 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 429 | 6 | 0 | 4 | 5.1 | COc1ccccc1N1CCN(Cc2cc(CN3CCCCC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | ||
| CHEMBL2207638 | 83648 | 0 | None | -2187 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 429 | 6 | 0 | 4 | 5.1 | COc1ccccc1N1CCN(Cc2cc(CN3CCCCC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | ||
| 50878551 | 90300 | 60 | None | -109 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
| CHEMBL2391541 | 90300 | 60 | None | -109 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
| 164608941 | 183791 | 0 | None | 75 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 390 | 7 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4845733 | 183791 | 0 | None | 75 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 390 | 7 | 4 | 4 | 2.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 50878551 | 90300 | 60 | None | -109 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
| CHEMBL2391541 | 90300 | 60 | None | -109 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 270 | 8 | 1 | 2 | 3.4 | C=CCN(CC=C)CCc1c[nH]c2ccc(OC)cc12 | 10.1016/j.bmcl.2013.03.066 | ||
| 44304309 | 168639 | 0 | None | -630 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 414 | 8 | 0 | 5 | 3.6 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(F)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL440864 | 168639 | 0 | None | -630 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 414 | 8 | 0 | 5 | 3.6 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(F)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| 164627020 | 185816 | 0 | None | 144 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 422 | 7 | 4 | 4 | 3.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4876025 | 185816 | 0 | None | 144 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 422 | 7 | 4 | 4 | 3.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 53324553 | 56545 | 0 | None | -6 | 10 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmcl.2010.11.075 | ||
| CHEMBL1643900 | 56545 | 0 | None | -6 | 10 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmcl.2010.11.075 | ||
| 53324553 | 56545 | 0 | None | -6 | 10 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL1643900 | 56545 | 0 | None | -6 | 10 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | ||
| 53325861 | 56546 | 0 | None | -2 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmcl.2010.11.075 | ||
| CHEMBL1643902 | 56546 | 0 | None | -2 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmcl.2010.11.075 | ||
| 53325861 | 56546 | 0 | None | -2 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL1643902 | 56546 | 0 | None | -2 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 297 | 4 | 0 | 1 | 3.4 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
| 44304449 | 198805 | 0 | None | -309 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 531 | 14 | 1 | 6 | 5.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL59870 | 198805 | 0 | None | -309 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 531 | 14 | 1 | 6 | 5.3 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00310-4 | ||
| 164626509 | 185743 | 0 | None | 3 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 358 | 3 | 4 | 4 | 3.2 | N/C(=N\C(=O)NC1CCCCC1)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4874969 | 185743 | 0 | None | 3 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 358 | 3 | 4 | 4 | 3.2 | N/C(=N\C(=O)NC1CCCCC1)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
| 168280339 | 192253 | 0 | None | -52 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 372 | 8 | 3 | 5 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCn1cc(CN(C)C)nn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5188592 | 192253 | 0 | None | -52 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 372 | 8 | 3 | 5 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCn1cc(CN(C)C)nn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221885 | 192253 | 0 | None | -52 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 372 | 8 | 3 | 5 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCn1cc(CN(C)C)nn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294166 | 192402 | 0 | None | 1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1ccc(-c2sc(N)nc2C)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5209081 | 192402 | 0 | None | 1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1ccc(-c2sc(N)nc2C)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222775 | 192402 | 0 | None | 1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 3.3 | CCCCCNC(=O)/N=C(\N)Nc1ccc(-c2sc(N)nc2C)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 44304014 | 100305 | 0 | None | -5370 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 431 | 10 | 1 | 6 | 2.3 | CC(C)(C)OC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL293033 | 100305 | 0 | None | -5370 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 431 | 10 | 1 | 6 | 2.3 | CC(C)(C)OC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 164622153 | 184976 | 0 | None | 95 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 394 | 6 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4863347 | 184976 | 0 | None | 95 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 394 | 6 | 4 | 4 | 3.0 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1ccc(Cl)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 71459761 | 83652 | 0 | None | -75 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 540 | 7 | 0 | 5 | 6.1 | COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | ||
| CHEMBL2207642 | 83652 | 0 | None | -75 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 540 | 7 | 0 | 5 | 6.1 | COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | ||
| 44334556 | 106770 | 0 | None | -77 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 449 | 10 | 3 | 7 | 1.7 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL316968 | 106770 | 0 | None | -77 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 449 | 10 | 3 | 7 | 1.7 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| 44304377 | 201080 | 0 | None | -2570 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 424 | 11 | 0 | 6 | 3.5 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cnccn3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL62115 | 201080 | 0 | None | -2570 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 424 | 11 | 0 | 6 | 3.5 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cnccn3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304313 | 199890 | 0 | None | -2041 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 441 | 10 | 1 | 6 | 2.8 | N[C@H](Cc1ccsc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL60559 | 199890 | 0 | None | -2041 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 441 | 10 | 1 | 6 | 2.8 | N[C@H](Cc1ccsc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 44304277 | 100467 | 0 | None | -645 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 401 | 10 | 1 | 5 | 2.4 | CN[C@@H](C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1)C(C)C | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL294087 | 100467 | 0 | None | -645 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 401 | 10 | 1 | 5 | 2.4 | CN[C@@H](C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1)C(C)C | 10.1016/s0960-894x(02)00310-4 | ||
| 1231 | 922 | 112 | None | -2 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | ||
| 2756 | 922 | 112 | None | -2 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | ||
| 645 | 922 | 112 | None | -2 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | ||
| CHEMBL30 | 922 | 112 | None | -2 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | ||
| DB00501 | 922 | 112 | None | -2 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/acs.jmedchem.6b01422 | ||
| 44467360 | 124002 | 0 | None | 3 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 420 | 3 | 2 | 6 | 1.5 | COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(F)cc3F)C2)nc(C)c1F | 10.1021/acs.jmedchem.5b01995 | ||
| CHEMBL3640290 | 124002 | 0 | None | 3 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 420 | 3 | 2 | 6 | 1.5 | COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(F)cc3F)C2)nc(C)c1F | 10.1021/acs.jmedchem.5b01995 | ||
| 168295528 | 192419 | 0 | None | -147 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5206565 | 192419 | 0 | None | -147 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222872 | 192419 | 0 | None | -147 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168290815 | 192361 | 0 | None | -537 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5200771 | 192361 | 0 | None | -537 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222529 | 192361 | 0 | None | -537 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 327 | 9 | 4 | 5 | 1.2 | CCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168273640 | 192193 | 0 | None | -6 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5176229 | 192193 | 0 | None | -6 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221444 | 192193 | 0 | None | -6 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 568 | 15 | 8 | 10 | -0.1 | N/C(=N\C(=O)NCCCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 15179520 | 102193 | 0 | None | - | 1 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 602 | 12 | 3 | 5 | 3.9 | N#CN/C(=N\CCNC(=O)c1cccc(I)c1)NCCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00090a013 | ||
| CHEMBL304608 | 102193 | 0 | None | - | 1 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 602 | 12 | 3 | 5 | 3.9 | N#CN/C(=N\CCNC(=O)c1cccc(I)c1)NCCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00090a013 | ||
| 1235 | 3751 | 32 | None | 1 | 5 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1021/jm00090a013 | ||
| 3959 | 3751 | 32 | None | 1 | 5 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1021/jm00090a013 | ||
| 50287 | 3751 | 32 | None | 1 | 5 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1021/jm00090a013 | ||
| CHEMBL269646 | 3751 | 32 | None | 1 | 5 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 10.1021/jm00090a013 | ||
| 46780481 | 107032 | 18 | None | -21 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 9903970 | 107032 | 18 | None | -21 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3187365 | 107032 | 18 | None | -21 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3544974 | 107032 | 18 | None | -21 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 46780481 | 107032 | 18 | None | -21 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 9903970 | 107032 | 18 | None | -21 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3187365 | 107032 | 18 | None | -21 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3544974 | 107032 | 18 | None | -21 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 44334395 | 4877 | 0 | None | -144 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 446 | 10 | 1 | 5 | 3.2 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL104808 | 4877 | 0 | None | -144 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 446 | 10 | 1 | 5 | 3.2 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
| 1204 | 1893 | 114 | None | -173 | 25 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| 1247 | 1893 | 114 | None | -173 | 25 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| 1375 | 1893 | 114 | None | -173 | 25 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| 774 | 1893 | 114 | None | -173 | 25 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| CHEMBL90 | 1893 | 114 | None | -173 | 25 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| DB05381 | 1893 | 114 | None | -173 | 25 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1021/acs.jmedchem.5b00516 | ||
| 44334265 | 109182 | 0 | None | -25 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 368 | 8 | 1 | 6 | 2.0 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3cnccn3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL322695 | 109182 | 0 | None | -25 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 368 | 8 | 1 | 6 | 2.0 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3cnccn3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| 44334521 | 107337 | 0 | None | -36 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 262 | 6 | 1 | 4 | 1.7 | CC(=O)c1ccc(OCCCN2CC[C@H](N)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL319231 | 107337 | 0 | None | -36 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 262 | 6 | 1 | 4 | 1.7 | CC(=O)c1ccc(OCCCN2CC[C@H](N)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| 1226 | 1980 | 16 | None | -7 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2010.10.041 | ||
| 41376 | 1980 | 16 | None | -7 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL12608 | 1980 | 16 | None | -7 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2010.10.041 | ||
| 1231 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00356a005 | ||
| 2756 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00356a005 | ||
| 645 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00356a005 | ||
| CHEMBL30 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00356a005 | ||
| DB00501 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00356a005 | ||
| 1231 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00345a002 | ||
| 2756 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00345a002 | ||
| 645 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00345a002 | ||
| CHEMBL30 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00345a002 | ||
| DB00501 | 922 | 112 | None | -2 | 8 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1021/jm00345a002 | ||
| 5039 | 62838 | 13 | None | -2 | 2 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1021/jm00345a002 | ||
| CHEMBL1790041 | 62838 | 13 | None | -2 | 2 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1021/jm00345a002 | ||
| 10474353 | 58454 | 0 | None | -524 | 3 | Guinea pig | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 371 | 5 | 2 | 3 | 3.2 | O=C(Nc1ccc(I)cc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| CHEMBL16874 | 58454 | 0 | None | -524 | 3 | Guinea pig | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 371 | 5 | 2 | 3 | 3.2 | O=C(Nc1ccc(I)cc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| 10015196 | 103132 | 0 | None | -251 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 254 | 8 | 3 | 2 | 2.4 | CCC/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | ||
| CHEMBL308717 | 103132 | 0 | None | -251 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 254 | 8 | 3 | 2 | 2.4 | CCC/N=C(\S)NCCCCCc1c[nH]cn1 | 10.1021/jm00012a025 | ||
| 10803416 | 54315 | 0 | None | -1621 | 3 | Guinea pig | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 290 | 6 | 2 | 5 | 2.5 | O=C(Nc1ccccc1[N+](=O)[O-])OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| CHEMBL16109 | 54315 | 0 | None | -1621 | 3 | Guinea pig | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 290 | 6 | 2 | 5 | 2.5 | O=C(Nc1ccccc1[N+](=O)[O-])OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| 44304056 | 102238 | 0 | None | -5754 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 401 | 10 | 1 | 5 | 2.6 | CC(C)N[C@H](C)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL304888 | 102238 | 0 | None | -5754 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 401 | 10 | 1 | 5 | 2.6 | CC(C)N[C@H](C)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 44304316 | 201434 | 0 | None | -416 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 485 | 8 | 0 | 6 | 3.6 | CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL64120 | 201434 | 0 | None | -416 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 485 | 8 | 0 | 6 | 3.6 | CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 1204 | 1893 | 114 | None | -173 | 25 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1247 | 1893 | 114 | None | -173 | 25 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 1375 | 1893 | 114 | None | -173 | 25 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 774 | 1893 | 114 | None | -173 | 25 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL90 | 1893 | 114 | None | -173 | 25 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| DB05381 | 1893 | 114 | None | -173 | 25 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 132060770 | 162077 | 0 | None | -8 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 3.5 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
| CHEMBL4169689 | 162077 | 0 | None | -8 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 451 | 7 | 0 | 6 | 3.5 | CCOC(=O)CCN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
| 2812 | 4696 | 96 | None | -33 | 34 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| CHEMBL104 | 4696 | 96 | None | -33 | 34 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| 164622330 | 185270 | 0 | None | -2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4867962 | 185270 | 0 | None | -2 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 360 | 6 | 4 | 4 | 2.3 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)N[C@@H](C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164627774 | 185973 | 0 | None | 1 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 344 | 3 | 4 | 4 | 1.4 | N/C(=N\C(=O)NCc1ccccc1)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4878215 | 185973 | 0 | None | 1 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 344 | 3 | 4 | 4 | 1.4 | N/C(=N\C(=O)NCc1ccccc1)NC1CCc2nc(N)sc2C1 | 10.1016/j.ejmech.2021.113190 | ||
| 71452172 | 83091 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 274 | 6 | 1 | 5 | 2.4 | c1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1 | 10.1021/ml3002715 | ||
| CHEMBL2203551 | 83091 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 274 | 6 | 1 | 5 | 2.4 | c1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1 | 10.1021/ml3002715 | ||
| 155552683 | 173584 | 0 | None | -40 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 379 | 4 | 2 | 5 | 4.1 | Clc1ccc(C#Cc2nc(NCCc3ccccc3)c3nc[nH]c3n2)s1 | 10.1039/C8MD00317C | ||
| CHEMBL4546937 | 173584 | 0 | None | -40 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 379 | 4 | 2 | 5 | 4.1 | Clc1ccc(C#Cc2nc(NCCc3ccccc3)c3nc[nH]c3n2)s1 | 10.1039/C8MD00317C | ||
| 164622256 | 185124 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 318 | 4 | 4 | 4 | 2.2 | CCCNC(=O)/N=C(\N)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4865670 | 185124 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 318 | 4 | 4 | 4 | 2.2 | CCCNC(=O)/N=C(\N)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
| 145992489 | 166413 | 0 | None | -1 | 12 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 535 | 7 | 1 | 2 | 7.8 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| CHEMBL4287623 | 166413 | 0 | None | -1 | 12 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 535 | 7 | 1 | 2 | 7.8 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| 168290235 | 192356 | 0 | None | -1737 | 20 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5201074 | 192356 | 0 | None | -1737 | 20 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222491 | 192356 | 0 | None | -1737 | 20 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 5039 | 62838 | 13 | None | -2 | 2 | Guinea pig | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1021/jm00090a013 | ||
| CHEMBL1790041 | 62838 | 13 | None | -2 | 2 | Guinea pig | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 314 | 10 | 2 | 7 | 1.5 | CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 | 10.1021/jm00090a013 | ||
| 71454295 | 83651 | 0 | None | -660 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 536 | 8 | 0 | 6 | 5.5 | COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccccc4OC)CC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | ||
| CHEMBL2207641 | 83651 | 0 | None | -660 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 536 | 8 | 0 | 6 | 5.5 | COc1ccccc1N1CCN(Cc2cc(CN3CCN(c4ccccc4OC)CC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | ||
| 44304329 | 201527 | 0 | None | -1778 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 385 | 8 | 1 | 5 | 1.9 | O=C(c1ccc(OCCCN2CCN(C(=O)[C@H]3CCCN3)CC2)cc1)C1CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL64461 | 201527 | 0 | None | -1778 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 385 | 8 | 1 | 5 | 1.9 | O=C(c1ccc(OCCCN2CCN(C(=O)[C@H]3CCCN3)CC2)cc1)C1CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 24841480 | 183307 | 0 | None | -269 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| CHEMBL481153 | 183307 | 0 | None | -269 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| 1231 | 922 | 112 | None | -2 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
| 2756 | 922 | 112 | None | -2 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
| 645 | 922 | 112 | None | -2 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
| CHEMBL30 | 922 | 112 | None | -2 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
| DB00501 | 922 | 112 | None | -2 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | nan | ||
| 155558968 | 174236 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 432 | 3 | 2 | 5 | 3.2 | Cc1cccc(C)c1N1C(=O)[C@H](CC2CNc3ccccc32)NC2(CCN(C)CC2)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
| CHEMBL4562437 | 174236 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 432 | 3 | 2 | 5 | 3.2 | Cc1cccc(C)c1N1C(=O)[C@H](CC2CNc3ccccc32)NC2(CCN(C)CC2)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
| 53325242 | 56760 | 0 | None | -2 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 537 | 8 | 1 | 2 | 7.9 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| CHEMBL1644978 | 56760 | 0 | None | -2 | 17 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 537 | 8 | 1 | 2 | 7.9 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | ||
| 162644910 | 178821 | 0 | None | -50 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 407 | 7 | 0 | 4 | 5.0 | Clc1cccc(-c2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)c1 | 10.1016/j.ejmech.2020.113041 | ||
| CHEMBL4740135 | 178821 | 0 | None | -50 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 407 | 7 | 0 | 4 | 5.0 | Clc1cccc(-c2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)c1 | 10.1016/j.ejmech.2020.113041 | ||
| 168268716 | 192150 | 0 | None | 1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 3 | 4 | 4 | 3.5 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NC2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5170276 | 192150 | 0 | None | 1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 3 | 4 | 4 | 3.5 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NC2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221176 | 192150 | 0 | None | 1 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 3 | 4 | 4 | 3.5 | Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NC2CCCCC2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 71450707 | 83650 | 0 | None | -1445 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 444 | 6 | 0 | 5 | 3.9 | COc1ccccc1N1CCN(Cc2cc(CN3CCN(C)CC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | ||
| CHEMBL2207640 | 83650 | 0 | None | -1445 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 444 | 6 | 0 | 5 | 3.9 | COc1ccccc1N1CCN(Cc2cc(CN3CCN(C)CC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | ||
| 155531772 | 176082 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 334 | 8 | 3 | 6 | 3.3 | Cc1[nH]cnc1CSCCNc1ccnc(NCC(C)(C)C)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4466349 | 176082 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 334 | 8 | 3 | 6 | 3.3 | Cc1[nH]cnc1CSCCNc1ccnc(NCC(C)(C)C)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL4598197 | 176082 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 334 | 8 | 3 | 6 | 3.3 | Cc1[nH]cnc1CSCCNc1ccnc(NCC(C)(C)C)n1 | 10.1021/acs.jmedchem.9b01342 | ||
| CHEMBL5083588 | 213748 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095633 | 213748 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 44335351 | 4983 | 0 | None | -29 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 402 | 7 | 0 | 4 | 4.6 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(Cl)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL105385 | 4983 | 0 | None | -29 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 402 | 7 | 0 | 4 | 4.6 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(Cl)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| 168275750 | 192214 | 0 | None | -87 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 332 | 6 | 3 | 4 | 1.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCc2ccccc2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5175558 | 192214 | 0 | None | -87 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 332 | 6 | 3 | 4 | 1.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCc2ccccc2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221581 | 192214 | 0 | None | -87 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 332 | 6 | 3 | 4 | 1.6 | Cc1nnc(CCCN/C(N)=N/C(=O)NCc2ccccc2)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 44304475 | 201070 | 0 | None | -10471 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 348 | 8 | 0 | 5 | 2.8 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)CC)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL62066 | 201070 | 0 | None | -10471 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 348 | 8 | 0 | 5 | 2.8 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)CC)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44335222 | 162892 | 0 | None | -20 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 369 | 7 | 0 | 5 | 3.3 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccncc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL419912 | 162892 | 0 | None | -20 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 369 | 7 | 0 | 5 | 3.3 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccncc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| 44304357 | 198916 | 0 | None | -4786 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 415 | 9 | 1 | 5 | 3.0 | CC(C)(C)C[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL59931 | 198916 | 0 | None | -4786 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 415 | 9 | 1 | 5 | 3.0 | CC(C)(C)C[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 137645406 | 157348 | 0 | None | -75 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 491 | 8 | 0 | 7 | 5.4 | COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1 | 10.1021/acs.jmedchem.9b00412 | ||
| CHEMBL4084262 | 157348 | 0 | None | -75 | 13 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 491 | 8 | 0 | 7 | 5.4 | COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1 | 10.1021/acs.jmedchem.9b00412 | ||
| 168294182 | 192436 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 314 | 6 | 4 | 2 | 1.7 | C[C@@H](NC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5208722 | 192436 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 314 | 6 | 4 | 2 | 1.7 | C[C@@H](NC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222960 | 192436 | 0 | None | -3 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 314 | 6 | 4 | 2 | 1.7 | C[C@@H](NC(=O)/N=C(\N)NCCCc1c[nH]cn1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 135481708 | 201319 | 1 | None | - | 1 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 7 | 2 | 7 | 0.2 | CN(C)Cc1ccc(CSCCNC2=NS(=O)(=O)N=C2N)o1 | 10.1021/jm00345a002 | ||
| CHEMBL63299 | 201319 | 1 | None | - | 1 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 7 | 2 | 7 | 0.2 | CN(C)Cc1ccc(CSCCNC2=NS(=O)(=O)N=C2N)o1 | 10.1021/jm00345a002 | ||
| 136023351 | 204980 | 16 | None | - | 1 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 329 | 8 | 2 | 8 | 1.8 | CN(C)Cc1ccc(CSCCNc2n[s+]([O-])nc2N)o1 | 10.1021/jm00345a002 | ||
| 5384819 | 204980 | 16 | None | - | 1 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 329 | 8 | 2 | 8 | 1.8 | CN(C)Cc1ccc(CSCCNc2n[s+]([O-])nc2N)o1 | 10.1021/jm00345a002 | ||
| CHEMBL8982 | 204980 | 16 | None | - | 1 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 329 | 8 | 2 | 8 | 1.8 | CN(C)Cc1ccc(CSCCNc2n[s+]([O-])nc2N)o1 | 10.1021/jm00345a002 | ||
| 168268853 | 192173 | 0 | None | -2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5180504 | 192173 | 0 | None | -2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221353 | 192173 | 0 | None | -2 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 389 | 8 | 4 | 5 | 1.9 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 164609017 | 183833 | 0 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 416 | 10 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4846201 | 183833 | 0 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 416 | 10 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164610289 | 184540 | 0 | None | 38 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 438 | 7 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4856602 | 184540 | 0 | None | 38 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 438 | 7 | 4 | 4 | 3.5 | Cc1nc(N)sc1CCCN/C(N)=N/C(=S)NC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 44304378 | 162709 | 0 | None | -2951 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 423 | 11 | 0 | 5 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccnc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL418658 | 162709 | 0 | None | -2951 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 423 | 11 | 0 | 5 | 4.1 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccnc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304348 | 100123 | 0 | None | -15135 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 387 | 10 | 1 | 5 | 2.3 | CCC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL291821 | 100123 | 0 | None | -15135 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 387 | 10 | 1 | 5 | 2.3 | CCC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 44334036 | 167218 | 0 | None | -154 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 3.0 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3ccc(C#N)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL430502 | 167218 | 0 | None | -154 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 391 | 8 | 1 | 5 | 3.0 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3ccc(C#N)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| 71454294 | 83649 | 0 | None | -1348 | 7 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 431 | 6 | 0 | 5 | 4.0 | COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | ||
| CHEMBL2207639 | 83649 | 0 | None | -1348 | 7 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 431 | 6 | 0 | 5 | 4.0 | COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc2-3)CC1 | 10.1016/j.bmcl.2012.09.064 | ||
| 71449142 | 79093 | 0 | None | -104 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 442 | 9 | 0 | 6 | 4.2 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(SC)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL2113738 | 79093 | 0 | None | -104 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 442 | 9 | 0 | 6 | 4.2 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(SC)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44334037 | 4365 | 0 | None | -112 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 450 | 9 | 1 | 7 | 3.7 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3csc(-c4cccnc4)n3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL101634 | 4365 | 0 | None | -112 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 450 | 9 | 1 | 7 | 3.7 | CC(=O)c1ccc(OCCCN2CC[C@H](NC(=O)c3csc(-c4cccnc4)n3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| 73355415 | 92087 | 0 | None | -32 | 13 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 277 | 3 | 1 | 1 | 2.1 | C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432039 | 92087 | 0 | None | -32 | 13 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 277 | 3 | 1 | 1 | 2.1 | C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL5092267 | 213571 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCC[n+]1c(C)cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1C | 10.1016/j.bmcl.2021.128388 | ||||
| 164611474 | 184860 | 0 | None | 407 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 366 | 6 | 4 | 5 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccs1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4861704 | 184860 | 0 | None | 407 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 366 | 6 | 4 | 5 | 2.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NC(C)c1cccs1 | 10.1016/j.ejmech.2021.113190 | ||
| 164624107 | 185130 | 0 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 402 | 9 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4865765 | 185130 | 0 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 402 | 9 | 4 | 4 | 2.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164620678 | 185427 | 0 | None | 177 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 374 | 7 | 4 | 4 | 2.7 | CCC(NC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4870510 | 185427 | 0 | None | 177 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 374 | 7 | 4 | 4 | 2.7 | CCC(NC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 126688 | 400 | 28 | None | -1 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1016/j.bmcl.2010.10.041 | ||
| 4025 | 400 | 28 | None | -1 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL293762 | 400 | 28 | None | -1 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 157 | 2 | 2 | 4 | 0.5 | NCCc1sc(nc1C)N | 10.1016/j.bmcl.2010.10.041 | ||
| 10333098 | 53673 | 6 | None | -6025 | 2 | Guinea pig | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 265 | 6 | 2 | 3 | 2.6 | O=C(NCC1CCCCC1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| CHEMBL16056 | 53673 | 6 | None | -6025 | 2 | Guinea pig | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 265 | 6 | 2 | 3 | 2.6 | O=C(NCC1CCCCC1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| 10611565 | 97855 | 0 | None | -2570 | 3 | Guinea pig | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 263 | 5 | 2 | 3 | 2.7 | O=C(Nc1ccc(F)cc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| CHEMBL274989 | 97855 | 0 | None | -2570 | 3 | Guinea pig | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 263 | 5 | 2 | 3 | 2.7 | O=C(Nc1ccc(F)cc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| 155551348 | 173375 | 0 | None | 1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 487 | 7 | 1 | 9 | 3.7 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@@H]1OC(C)(C)O[C@@H]12 | 10.1021/acs.jmedchem.8b01662 | ||
| CHEMBL4541409 | 173375 | 0 | None | 1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 487 | 7 | 1 | 9 | 3.7 | CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@@H]1OC(C)(C)O[C@@H]12 | 10.1021/acs.jmedchem.8b01662 | ||
| 168292954 | 192385 | 0 | None | -11 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5202592 | 192385 | 0 | None | -11 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222660 | 192385 | 0 | None | -11 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.5 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2cnc(N)s2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 162676676 | 182997 | 0 | None | -323 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 389 | 8 | 0 | 5 | 4.5 | c1ccc(Oc2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2020.113041 | ||
| CHEMBL4800672 | 182997 | 0 | None | -323 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 389 | 8 | 0 | 5 | 4.5 | c1ccc(Oc2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2020.113041 | ||
| CHEMBL5075713 | 213743 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095559 | 213743 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC1(C)C(/C=C/C=C/C=C2\c3ccccc3C(C)(C)N2CCCCCC(=O)NCCCCCCCCNC(=O)/N=C(\N)NCCCc2c[nH]cn2)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1016/j.bmcl.2021.128388 | ||||
| 4189 | 205185 | 91 | None | -36 | 34 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL1559 | 205185 | 91 | None | -36 | 34 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL91 | 205185 | 91 | None | -36 | 34 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 130442572 | 171332 | 0 | None | -144 | 24 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4469848 | 171332 | 0 | None | -144 | 24 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| 181743 | 177987 | 3 | None | -338 | 22 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | ||
| CHEMBL467094 | 177987 | 3 | None | -338 | 22 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 339 | 2 | 0 | 5 | 3.2 | COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2)OCO4 | 10.1016/j.bmcl.2009.11.053 | ||
| 168291233 | 192367 | 0 | None | -5 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 373 | 8 | 4 | 5 | 1.4 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)o2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5200106 | 192367 | 0 | None | -5 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 373 | 8 | 4 | 5 | 1.4 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)o2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222556 | 192367 | 0 | None | -5 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 373 | 8 | 4 | 5 | 1.4 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2nnc(N)o2)cc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 44304031 | 100192 | 0 | None | -933 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 452 | 10 | 0 | 6 | 4.1 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)/C=C/c3ccc(OC)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL292275 | 100192 | 0 | None | -933 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 452 | 10 | 0 | 6 | 4.1 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)/C=C/c3ccc(OC)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| 18672441 | 94938 | 0 | None | -9332 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 306 | 6 | 0 | 3 | 4.1 | N#Cc1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL25688 | 94938 | 0 | None | -9332 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 306 | 6 | 0 | 3 | 4.1 | N#Cc1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| 4601 | 205010 | 29 | None | -7 | 17 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL1201023 | 205010 | 29 | None | -7 | 17 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL900 | 205010 | 29 | None | -7 | 17 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| 162664702 | 181618 | 0 | None | -50 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 407 | 7 | 0 | 4 | 5.0 | Clc1ccc(-c2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2020.113041 | ||
| CHEMBL4783066 | 181618 | 0 | None | -50 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 407 | 7 | 0 | 4 | 5.0 | Clc1ccc(-c2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2020.113041 | ||
| 164611342 | 184495 | 0 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 346 | 6 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4856005 | 184495 | 0 | None | -1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 346 | 6 | 4 | 4 | 1.8 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCc1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 164618690 | 185564 | 0 | None | 1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 360 | 7 | 4 | 4 | 3.4 | CCCCCCNC(=O)/N=C(\N)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4872375 | 185564 | 0 | None | 1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 360 | 7 | 4 | 4 | 3.4 | CCCCCCNC(=O)/N=C(\N)Nc1cccc(-c2csc(N)n2)c1 | 10.1016/j.ejmech.2021.113190 | ||
| 127035835 | 136748 | 0 | None | -4 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCc3ccccc3)nc3c2CCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| CHEMBL3752270 | 136748 | 0 | None | -4 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.6 | CN1CCN(c2nc(NCc3ccccc3)nc3c2CCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2015.12.035 | ||
| 44304079 | 200930 | 0 | None | -9549 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 376 | 9 | 0 | 5 | 3.5 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)CC(C)C)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL61231 | 200930 | 0 | None | -9549 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 376 | 9 | 0 | 5 | 3.5 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)CC(C)C)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44335428 | 4900 | 0 | None | -79 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 358 | 7 | 1 | 5 | 2.6 | CCOC(=O)N1CCN(CCCOc2ccc(-c3c[nH]cn3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL104947 | 4900 | 0 | None | -79 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 358 | 7 | 1 | 5 | 2.6 | CCOC(=O)N1CCN(CCCOc2ccc(-c3c[nH]cn3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| 1231 | 922 | 112 | None | -2 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | ||
| 2756 | 922 | 112 | None | -2 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | ||
| 645 | 922 | 112 | None | -2 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL30 | 922 | 112 | None | -2 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | ||
| DB00501 | 922 | 112 | None | -2 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | ||
| 1231 | 922 | 112 | None | -2 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | ||
| 2756 | 922 | 112 | None | -2 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | ||
| 645 | 922 | 112 | None | -2 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL30 | 922 | 112 | None | -2 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | ||
| DB00501 | 922 | 112 | None | -2 | 8 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 10.1016/j.bmcl.2013.12.024 | ||
| 164610892 | 184605 | 0 | None | 1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 394 | 8 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4857560 | 184605 | 0 | None | 1 | 6 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 394 | 8 | 4 | 4 | 3.2 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(C)CC1CCCCC1 | 10.1016/j.ejmech.2021.113190 | ||
| 44334407 | 108585 | 0 | None | -229 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 462 | 10 | 1 | 5 | 3.8 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3cccc(Cl)c3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL321320 | 108585 | 0 | None | -229 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 462 | 10 | 1 | 5 | 3.8 | O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3cccc(Cl)c3)C2)cc1)C1CC1 | 10.1016/s0960-894x(02)00685-6 | ||
| 44304402 | 199517 | 0 | None | -426 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 415 | 12 | 0 | 6 | 4.5 | CCCCCC(=O)c1ccc(OCCCN2CCN(Cc3nccs3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL60360 | 199517 | 0 | None | -426 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 415 | 12 | 0 | 6 | 4.5 | CCCCCC(=O)c1ccc(OCCCN2CCN(Cc3nccs3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 1258 | 194 | 8 | None | -35481 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 1.5 | C[C@H](C(=O)N1CCN(CC1)CCCOc1ccc(cc1)C(=O)C1CC1)N | 10.1016/s0960-894x(02)00310-4 | ||
| 9906860 | 194 | 8 | None | -35481 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 1.5 | C[C@H](C(=O)N1CCN(CC1)CCCOc1ccc(cc1)C(=O)C1CC1)N | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL302196 | 194 | 8 | None | -35481 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 1.5 | C[C@H](C(=O)N1CCN(CC1)CCCOc1ccc(cc1)C(=O)C1CC1)N | 10.1016/s0960-894x(02)00310-4 | ||
| 44334042 | 162925 | 0 | None | -64 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.0 | N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL420108 | 162925 | 0 | None | -64 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.0 | N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1 | 10.1016/s0960-894x(02)00685-6 | ||
| 44334234 | 109178 | 0 | None | -707 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 432 | 10 | 1 | 7 | 1.8 | Cn1cnc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL322678 | 109178 | 0 | None | -707 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 432 | 10 | 1 | 7 | 1.8 | Cn1cnc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1 | 10.1016/s0960-894x(02)00685-6 | ||
| 180 | 397 | 50 | None | -1412 | 39 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 200 | 397 | 50 | None | -1412 | 39 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 2160 | 397 | 50 | None | -1412 | 39 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| CHEMBL629 | 397 | 50 | None | -1412 | 39 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| DB00321 | 397 | 50 | None | -1412 | 39 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 164611757 | 184310 | 0 | None | 1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 402 | 8 | 4 | 4 | 2.8 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4853107 | 184310 | 0 | None | 1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 402 | 8 | 4 | 4 | 2.8 | Cc1ccc(CC(C)CNC(=O)/N=C(\N)NCCCc2sc(N)nc2C)cc1 | 10.1016/j.ejmech.2021.113190 | ||
| 44304003 | 201435 | 0 | None | -2511 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 384 | 9 | 1 | 6 | 1.4 | N#CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL64124 | 201435 | 0 | None | -2511 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 384 | 9 | 1 | 6 | 1.4 | N#CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 127052294 | 139759 | 0 | None | -33 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3806079 | 139759 | 0 | None | -33 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 71463063 | 83373 | 0 | None | -11 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205825 | 83373 | 0 | None | -11 | 8 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
| 44334369 | 4930 | 0 | None | -138 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 484 | 10 | 1 | 5 | 4.4 | CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL105071 | 4930 | 0 | None | -138 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 484 | 10 | 1 | 5 | 4.4 | CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 | 10.1016/s0960-894x(02)00685-6 | ||
| 127049856 | 139702 | 0 | None | -25 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3805431 | 139702 | 0 | None | -25 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 9923147 | 4965 | 0 | None | -1202 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 321 | 6 | 1 | 4 | 3.0 | N#Cc1ccc(-c2ccc(OCCCN3CC[C@@H](N)C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL105267 | 4965 | 0 | None | -1202 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 321 | 6 | 1 | 4 | 3.0 | N#Cc1ccc(-c2ccc(OCCCN3CC[C@@H](N)C3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| 71463061 | 83367 | 0 | None | 1 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205813 | 83367 | 0 | None | 1 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC | 10.1016/j.bmcl.2012.08.046 | ||
| 162662563 | 181454 | 0 | None | -123 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 391 | 7 | 0 | 4 | 4.5 | Fc1ccc(-c2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2020.113041 | ||
| CHEMBL4781093 | 181454 | 0 | None | -123 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 391 | 7 | 0 | 4 | 4.5 | Fc1ccc(-c2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2020.113041 | ||
| 44435200 | 149131 | 0 | None | -4 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 345 | 4 | 0 | 2 | 5.8 | O=C(CCCc1ccccc1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| CHEMBL394755 | 149131 | 0 | None | -4 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 345 | 4 | 0 | 2 | 5.8 | O=C(CCCc1ccccc1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| 44335389 | 5082 | 0 | None | -46 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 413 | 8 | 0 | 6 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccccc3[N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL105952 | 5082 | 0 | None | -46 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 413 | 8 | 0 | 6 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccccc3[N+](=O)[O-])cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| 44304243 | 201500 | 0 | None | -562 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 374 | 13 | 0 | 4 | 4.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(CCCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL64334 | 201500 | 0 | None | -562 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 374 | 13 | 0 | 4 | 4.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(CCCC)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 156015041 | 177648 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4637356 | 177648 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| CHEMBL4650547 | 177648 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1029 | 30 | 3 | 11 | 10.0 | CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)NCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acsmedchemlett.0c00033 | ||
| 164617783 | 183997 | 0 | None | -1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.8 | CCC(CNC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4848815 | 183997 | 0 | None | -1 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 388 | 8 | 4 | 4 | 2.8 | CCC(CNC(=O)/N=C(\N)NCCCc1sc(N)nc1C)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 11393516 | 5087 | 0 | None | -933 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 335 | 6 | 1 | 4 | 3.3 | N#Cc1ccc(-c2ccc(OCCCN3CCCNCC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL105967 | 5087 | 0 | None | -933 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 335 | 6 | 1 | 4 | 3.3 | N#Cc1ccc(-c2ccc(OCCCN3CCCNCC3)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| 75306277 | 108754 | 0 | None | -39 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | ||
| CHEMBL3217984 | 108754 | 0 | None | -39 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 308 | 0 | 0 | 3 | 4.2 | CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 | 10.1039/C2MD00311B | ||
| 44281132 | 99185 | 0 | None | - | 1 | Guinea pig | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 288 | 3 | 3 | 6 | 2.2 | Cc1[nH]cnc1-c1cccc(Nc2n[s+]([O-])nc2N)c1 | 10.1021/jm00356a005 | ||
| CHEMBL284379 | 99185 | 0 | None | - | 1 | Guinea pig | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 288 | 3 | 3 | 6 | 2.2 | Cc1[nH]cnc1-c1cccc(Nc2n[s+]([O-])nc2N)c1 | 10.1021/jm00356a005 | ||
| 10517956 | 55947 | 0 | None | -66 | 3 | Guinea pig | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 295 | 5 | 2 | 3 | 3.7 | O=C(Nc1ccc2ccccc2c1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| CHEMBL16274 | 55947 | 0 | None | -66 | 3 | Guinea pig | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 295 | 5 | 2 | 3 | 3.7 | O=C(Nc1ccc2ccccc2c1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| 44304088 | 200691 | 0 | None | -316 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 402 | 8 | 0 | 5 | 4.0 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C3CCCCC3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL61070 | 200691 | 0 | None | -316 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 402 | 8 | 0 | 5 | 4.0 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C3CCCCC3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| 1269 | 121 | 33 | None | -269 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 37463 | 121 | 33 | None | -269 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| CHEMBL275443 | 121 | 33 | None | -269 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | 10.1016/j.bmcl.2010.10.041 | ||
| 10062176 | 55530 | 0 | None | -19498 | 3 | Guinea pig | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 3.2 | O=C(Nc1ccc(Cl)cc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| CHEMBL16231 | 55530 | 0 | None | -19498 | 3 | Guinea pig | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 279 | 5 | 2 | 3 | 3.2 | O=C(Nc1ccc(Cl)cc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| 10541297 | 57230 | 0 | None | -3090 | 3 | Guinea pig | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 287 | 8 | 2 | 3 | 2.7 | O=C(NCCCc1ccccc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| CHEMBL16639 | 57230 | 0 | None | -3090 | 3 | Guinea pig | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 287 | 8 | 2 | 3 | 2.7 | O=C(NCCCc1ccccc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| 10708894 | 98167 | 0 | None | -6025 | 3 | Guinea pig | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 293 | 6 | 2 | 3 | 2.9 | O=C(NCc1ccc(Cl)cc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| CHEMBL277149 | 98167 | 0 | None | -6025 | 3 | Guinea pig | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 293 | 6 | 2 | 3 | 2.9 | O=C(NCc1ccc(Cl)cc1)OCCCc1c[nH]cn1 | 10.1021/jm9507688 | ||
| 44304090 | 201252 | 0 | None | -16982 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 360 | 8 | 0 | 5 | 2.8 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL62948 | 201252 | 0 | None | -16982 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 360 | 8 | 0 | 5 | 2.8 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304067 | 199588 | 0 | None | -34673 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 359 | 9 | 1 | 5 | 1.4 | CNCC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL60401 | 199588 | 0 | None | -34673 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 359 | 9 | 1 | 5 | 1.4 | CNCC(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 168281746 | 192270 | 0 | None | -676 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5184911 | 192270 | 0 | None | -676 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5221974 | 192270 | 0 | None | -676 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 365 | 6 | 4 | 5 | 1.6 | CC(NC(=O)/N=C(\N)NCCCc1nnc(N)s1)c1cccc(F)c1 | 10.1021/acs.jmedchem.1c00692 | ||
| 75201901 | 165861 | 14 | None | -588 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4277264 | 165861 | 14 | None | -588 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4448899 | 212178 | 40 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | None | None | None | Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1 | nan | ||||
| 21509921 | 103966 | 0 | None | -7 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104091 | 103966 | 0 | None | -7 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 21509921 | 103966 | 0 | None | -7 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104091 | 103966 | 0 | None | -7 | 24 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.7 | CN1CCc2c(c3cccc4c3n2-c2ccccc2CC4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 44304270 | 199553 | 0 | None | -512 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 442 | 11 | 0 | 5 | 5.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccc(C)s3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL60383 | 199553 | 0 | None | -512 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 442 | 11 | 0 | 5 | 5.0 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccc(C)s3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 130442480 | 174688 | 0 | None | -100 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4572614 | 174688 | 0 | None | -100 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | ||
| 1210 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 1213 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 2725 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 33036 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 4411 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 616 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 6976 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 716121 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 90475904 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1201353 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1554789 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL505 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB01114 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB13679 | 903 | 45 | None | -281 | 21 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 155539605 | 172266 | 0 | None | -3 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 313 | 1 | 0 | 4 | 2.1 | CC1=NC2(CCN(C)CC2)C(=O)N(c2c(C)cccc2C)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
| CHEMBL4514672 | 172266 | 0 | None | -3 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 313 | 1 | 0 | 4 | 2.1 | CC1=NC2(CCN(C)CC2)C(=O)N(c2c(C)cccc2C)C1=O | 10.1016/j.ejmech.2018.12.048 | ||
| 44582705 | 186403 | 0 | None | -181 | 14 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 399 | 9 | 0 | 4 | 4.5 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| CHEMBL490632 | 186403 | 0 | None | -181 | 14 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 399 | 9 | 0 | 4 | 4.5 | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1 | 10.1016/j.bmc.2009.03.021 | ||
| 145973771 | 164156 | 0 | None | 2 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 797 | 16 | 2 | 7 | 10.8 | CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | ||
| CHEMBL4217398 | 164156 | 0 | None | 2 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 797 | 16 | 2 | 7 | 10.8 | CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | ||
| 44335412 | 106960 | 0 | None | -102 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 413 | 8 | 0 | 6 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL318320 | 106960 | 0 | None | -102 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 413 | 8 | 0 | 6 | 3.8 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| 44304284 | 162716 | 0 | None | -208 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 426 | 9 | 0 | 6 | 3.5 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(OC)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL418691 | 162716 | 0 | None | -208 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 426 | 9 | 0 | 6 | 3.5 | CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(OC)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304978 | 167315 | 0 | None | -3890 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 396 | 11 | 0 | 5 | 2.8 | CCCCCC(=O)c1ccc(OCCCN2CCN(S(C)(=O)=O)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL431172 | 167315 | 0 | None | -3890 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 396 | 11 | 0 | 5 | 2.8 | CCCCCC(=O)c1ccc(OCCCN2CCN(S(C)(=O)=O)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304752 | 201512 | 0 | None | -39810 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 459 | 9 | 1 | 6 | 3.1 | C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL64406 | 201512 | 0 | None | -39810 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 459 | 9 | 1 | 6 | 3.1 | C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 11496610 | 4000 | 11 | None | -2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 476 | 4 | 1 | 5 | 5.8 | CC(c1ccc(cc1)c1[nH]c2c(n1)cccc2N1CCN(CC1)Cc1ccc2c(c1)nccn2)(C)C | 10.1021/jm801572m | ||
| 5582 | 4000 | 11 | None | -2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 476 | 4 | 1 | 5 | 5.8 | CC(c1ccc(cc1)c1[nH]c2c(n1)cccc2N1CCN(CC1)Cc1ccc2c(c1)nccn2)(C)C | 10.1021/jm801572m | ||
| CHEMBL474991 | 4000 | 11 | None | -2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 476 | 4 | 1 | 5 | 5.8 | CC(c1ccc(cc1)c1[nH]c2c(n1)cccc2N1CCN(CC1)Cc1ccc2c(c1)nccn2)(C)C | 10.1021/jm801572m | ||
| 73355421 | 92106 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 309 | 3 | 0 | 3 | 3.0 | CN(Cc1ccc2c(c1)OCO2)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432062 | 92106 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 309 | 3 | 0 | 3 | 3.0 | CN(Cc1ccc2c(c1)OCO2)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
| 164620139 | 185196 | 0 | None | 56 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 436 | 8 | 4 | 4 | 3.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| CHEMBL4866734 | 185196 | 0 | None | 56 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 436 | 8 | 4 | 4 | 3.4 | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCC(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2021.113190 | ||
| 11846300 | 79841 | 3 | None | -1071 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| CHEMBL213912 | 79841 | 3 | None | -1071 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1 | 10.1021/jm051008s | ||
| 137646281 | 157252 | 0 | None | -1995 | 17 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 423 | 8 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1 | 10.1021/acs.jmedchem.9b00412 | ||
| CHEMBL4083252 | 157252 | 0 | None | -1995 | 17 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 423 | 8 | 0 | 7 | 3.8 | COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1 | 10.1021/acs.jmedchem.9b00412 | ||
| 657255 | 197396 | 29 | None | -3 | 15 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
| CHEMBL588119 | 197396 | 29 | None | -3 | 15 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | ||
| 44304439 | 102312 | 0 | None | -891 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 436 | 12 | 0 | 4 | 4.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)Cc3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL305338 | 102312 | 0 | None | -891 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 436 | 12 | 0 | 4 | 4.6 | CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)Cc3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 44304332 | 199649 | 0 | None | -19054 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 399 | 9 | 1 | 5 | 2.3 | O=C(c1ccc(OCCCN2CCN(C(=O)C[C@H]3CCCN3)CC2)cc1)C1CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL60435 | 199649 | 0 | None | -19054 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 399 | 9 | 1 | 5 | 2.3 | O=C(c1ccc(OCCCN2CCN(C(=O)C[C@H]3CCCN3)CC2)cc1)C1CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 44304719 | 201025 | 0 | None | -19498 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 425 | 10 | 2 | 6 | 1.5 | N[C@H](Cc1c[nH]cn1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL61792 | 201025 | 0 | None | -19498 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 425 | 10 | 2 | 6 | 1.5 | N[C@H](Cc1c[nH]cn1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 164435 | 202827 | 29 | None | 2754 | 2 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 477 | 11 | 4 | 6 | 2.5 | N#CN/C(=N\CCNC(=O)c1ccc(N)cc1)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00090a013 | ||
| CHEMBL72844 | 202827 | 29 | None | 2754 | 2 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 477 | 11 | 4 | 6 | 2.5 | N#CN/C(=N\CCNC(=O)c1ccc(N)cc1)NCCCOc1cccc(CN2CCCCC2)c1 | 10.1021/jm00090a013 | ||
| 44334038 | 4381 | 0 | None | -316 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.0 | N#Cc1cccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1 | 10.1016/s0960-894x(02)00685-6 | ||
| CHEMBL101748 | 4381 | 0 | None | -316 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 453 | 10 | 1 | 6 | 3.0 | N#Cc1cccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1 | 10.1016/s0960-894x(02)00685-6 | ||
| 10472082 | 5057 | 0 | None | -13489 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.9 | C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(-c2ccc(C#N)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL105762 | 5057 | 0 | None | -13489 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.9 | C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(-c2ccc(C#N)cc2)cc1 | 10.1016/s0960-894x(02)00648-0 | ||
| 44335558 | 109568 | 0 | None | -933 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.7 | CC1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL323562 | 109568 | 0 | None | -933 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 334 | 6 | 0 | 3 | 4.7 | CC1CCN(CCCOc2ccc(-c3ccc(C#N)cc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| 56963799 | 74531 | 0 | None | -2290 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 378 | 6 | 0 | 5 | 4.6 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1 | 10.1021/jm201690h | ||
| CHEMBL2031737 | 74531 | 0 | None | -2290 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 378 | 6 | 0 | 5 | 4.6 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1 | 10.1021/jm201690h | ||
| 1016 | 3678 | 75 | None | -41 | 35 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2561 | 3678 | 75 | None | -41 | 35 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2733526 | 3678 | 75 | None | -41 | 35 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 5384 | 3678 | 75 | None | -41 | 35 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| CHEMBL83 | 3678 | 75 | None | -41 | 35 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| DB00675 | 3678 | 75 | None | -41 | 35 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 73213196 | 103968 | 1 | None | -8 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104093 | 103968 | 1 | None | -8 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 100 | 3733 | 52 | None | -46 | 56 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 2637 | 3733 | 52 | None | -46 | 56 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 5452 | 3733 | 52 | None | -46 | 56 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| CHEMBL479 | 3733 | 52 | None | -46 | 56 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| DB00679 | 3733 | 52 | None | -46 | 56 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 73213196 | 103968 | 1 | None | -8 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| CHEMBL3104093 | 103968 | 1 | None | -8 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 288 | 0 | 0 | 2 | 3.9 | CN1CCc2c(c3cccc4c3n2CCc2ccccc2-4)C1 | 10.1016/j.bmcl.2013.12.024 | ||
| 162657344 | 180340 | 0 | None | -1096 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 388 | 8 | 1 | 5 | 4.4 | c1ccc(Nc2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2020.113041 | ||
| CHEMBL4758080 | 180340 | 0 | None | -1096 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 388 | 8 | 1 | 5 | 4.4 | c1ccc(Nc2ccc(OCCCN3CCN(c4ccncc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2020.113041 | ||
| 71459604 | 83365 | 0 | None | -1 | 14 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205811 | 83365 | 0 | None | -1 | 14 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL5088914 | 213776 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| CHEMBL5095949 | 213776 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | None | None | None | Cc1nc(N)sc1CCCN/C(N)=N/C(=O)NCCCCCCCCCCNC(=O)CCCCCN1/C(=C/C=C/C=C/C2=[N+](CCCCS(=O)(=O)[O-])c3ccccc3C2(C)C)c2ccccc2C1(C)C | 10.1016/j.bmcl.2021.128388 | ||||
| 44304223 | 198695 | 0 | None | -1023 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 374 | 12 | 0 | 4 | 4.5 | CCCCCC(=O)c1ccc(OCCCN2CCN(CC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| CHEMBL59798 | 198695 | 0 | None | -1023 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 374 | 12 | 0 | 4 | 4.5 | CCCCCC(=O)c1ccc(OCCCN2CCN(CC(C)C)CC2)cc1 | 10.1016/s0960-894x(02)00309-8 | ||
| 133 | 2450 | 48 | None | -141 | 43 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 1723 | 2450 | 48 | None | -141 | 43 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 28693 | 2450 | 48 | None | -141 | 43 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| CHEMBL19215 | 2450 | 48 | None | -141 | 43 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| DB13520 | 2450 | 48 | None | -141 | 43 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | nan | ||
| 44335172 | 5013 | 0 | None | -467 | 3 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 374 | 7 | 0 | 5 | 4.0 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccsc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| CHEMBL105567 | 5013 | 0 | None | -467 | 3 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 374 | 7 | 0 | 5 | 4.0 | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccsc3)cc2)CC1 | 10.1016/s0960-894x(02)00648-0 | ||
| 44304311 | 198599 | 0 | None | -16982 | 3 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 442 | 10 | 1 | 7 | 2.2 | N[C@H](Cc1nccs1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| CHEMBL59733 | 198599 | 0 | None | -16982 | 3 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 442 | 10 | 1 | 7 | 2.2 | N[C@H](Cc1nccs1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 | 10.1016/s0960-894x(02)00310-4 | ||
| 71450548 | 83372 | 0 | None | -7 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1cccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205824 | 83372 | 0 | None | -7 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1cccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | ||
| 127049855 | 139685 | 0 | None | -16 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| CHEMBL3805220 | 139685 | 0 | None | -16 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 368 | 7 | 3 | 4 | 3.1 | N#C/N=C(/NCCSc1ccccc1)NC[C@@H]1CC[C@@H](c2c[nH]cn2)C1 | 10.1021/acs.jmedchem.6b00120 | ||
| 132060763 | 162299 | 0 | None | -3 | 8 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 405 | 5 | 0 | 4 | 4.1 | C=C(C)CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
| CHEMBL4173095 | 162299 | 0 | None | -3 | 8 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 405 | 5 | 0 | 4 | 4.1 | C=C(C)CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CC3)CC1 | 10.1016/j.ejmech.2018.02.024 | ||
| 135 | 2486 | 38 | None | -39 | 58 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 1796 | 2486 | 38 | None | -39 | 58 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 4184 | 2486 | 38 | None | -39 | 58 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| CHEMBL6437 | 2486 | 38 | None | -39 | 58 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| DB06148 | 2486 | 38 | None | -39 | 58 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 2281 | 3114 | 76 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | Drug Central | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | None | ||
| 4922 | 3114 | 76 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | Drug Central | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | None | ||
| 893 | 3114 | 76 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | Drug Central | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | None | ||
| CHEMBL316561 | 3114 | 76 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | Drug Central | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | None | ||
| DB13431 | 3114 | 76 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | Drug Central | 334 | 10 | 2 | 3 | 2.3 | CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC | None | ||
| 1231 | 922 | 112 | None | -2 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| 2756 | 922 | 112 | None | -2 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| 645 | 922 | 112 | None | -2 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| CHEMBL30 | 922 | 112 | None | -2 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| DB00501 | 922 | 112 | None | -2 | 8 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| 1231 | 922 | 112 | None | -2 | 8 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| 2756 | 922 | 112 | None | -2 | 8 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| 645 | 922 | 112 | None | -2 | 8 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| CHEMBL30 | 922 | 112 | None | -2 | 8 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| DB00501 | 922 | 112 | None | -2 | 8 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| 1234 | 3227 | 0 | None | -2 | 7 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| 3001055 | 3227 | 0 | None | -2 | 7 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| CHEMBL512 | 3227 | 0 | None | -2 | 7 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| DB00863 | 3227 | 0 | None | -2 | 7 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| 3033637 | 215982 | 0 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 331 | 10 | 2 | 8 | 1.3 | CNC(NCCSCC1=CSC(CN(C)C)=N1)=C[N+]([O-])=O | None | ||
| 1129 | 1584 | 89 | None | -1 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
| 3325 | 1584 | 89 | None | -1 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
| 5353622 | 1584 | 89 | None | -1 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
| 5702160 | 1584 | 89 | None | -1 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
| 7074 | 1584 | 89 | None | -1 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
| CHEMBL902 | 1584 | 89 | None | -1 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
| DB00927 | 1584 | 89 | None | -1 | 2 | Guinea pig | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
| 1234 | 3227 | 0 | None | 1 | 7 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| 3001055 | 3227 | 0 | None | 1 | 7 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| CHEMBL512 | 3227 | 0 | None | 1 | 7 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| DB00863 | 3227 | 0 | None | 1 | 7 | Guinea pig | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| 5105 | 176243 | 49 | None | -1 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 348 | 9 | 1 | 5 | 2.1 | CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | None | ||
| CHEMBL46102 | 176243 | 49 | None | -1 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 348 | 9 | 1 | 5 | 2.1 | CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1 | None | ||
| 1129 | 1584 | 89 | None | 1 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
| 3325 | 1584 | 89 | None | 1 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
| 5353622 | 1584 | 89 | None | 1 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
| 5702160 | 1584 | 89 | None | 1 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
| 7074 | 1584 | 89 | None | 1 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
| CHEMBL902 | 1584 | 89 | None | 1 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
| DB00927 | 1584 | 89 | None | 1 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
| 1235 | 3751 | 32 | None | -3 | 5 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 12869657 | ||
| 3959 | 3751 | 32 | None | -3 | 5 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 12869657 | ||
| 50287 | 3751 | 32 | None | -3 | 5 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 12869657 | ||
| CHEMBL269646 | 3751 | 32 | None | -3 | 5 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 12869657 | ||
| None | 214377 | 0 | 3H-Histamine | -6 | 3 | Guinea pig | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 139 | 3 | 2 | 2 | 0.6 | CC(CC1=CN=CN1)NC | None | ||
| None | 214378 | 0 | 3H-Histamine | -6 | 3 | Guinea pig | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 139 | 2 | 2 | 2 | 0.9 | CC(C1=CN=CN1)C(C)N | None | ||
| 565544 | 109242 | 9 | 3H-Histamine | -1 | 3 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 125 | 2 | 2 | 2 | 0.5 | CC(CN)c1cnc[nH]1 | None | ||
| CHEMBL322988 | 109242 | 9 | 3H-Histamine | -1 | 3 | Guinea pig | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 125 | 2 | 2 | 2 | 0.5 | CC(CN)c1cnc[nH]1 | None | ||
| None | 214362 | 0 | 3H-Histamine | -8 | 7 | Guinea pig | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 125 | 2 | 2 | 2 | 0.3 | CC(CC1=CN=CN1)N | None | ||
| 1204 | 1893 | 114 | 3H-Histamine | -794 | 25 | Guinea pig | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1247 | 1893 | 114 | 3H-Histamine | -794 | 25 | Guinea pig | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1375 | 1893 | 114 | 3H-Histamine | -794 | 25 | Guinea pig | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 774 | 1893 | 114 | 3H-Histamine | -794 | 25 | Guinea pig | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| CHEMBL90 | 1893 | 114 | 3H-Histamine | -794 | 25 | Guinea pig | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| DB05381 | 1893 | 114 | 3H-Histamine | -794 | 25 | Guinea pig | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 202 | 1475 | 0 | UNDEFINED | -9 | 33 | Guinea pig | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 60835 | 1475 | 0 | UNDEFINED | -9 | 33 | Guinea pig | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 972 | 1475 | 0 | UNDEFINED | -9 | 33 | Guinea pig | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| CHEMBL1175 | 1475 | 0 | UNDEFINED | -9 | 33 | Guinea pig | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| DB00476 | 1475 | 0 | UNDEFINED | -9 | 33 | Guinea pig | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 46222048 | 8881 | 0 | UNDEFINED | -4365 | 13 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 260 | 4 | 1 | 2 | 4.0 | CC(C)(C)c1ccc(SCCc2c[nH]cn2)cc1 | None | ||
| CHEMBL1098230 | 8881 | 0 | UNDEFINED | -4365 | 13 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 260 | 4 | 1 | 2 | 4.0 | CC(C)(C)c1ccc(SCCc2c[nH]cn2)cc1 | None | ||
| 5656 | 201368 | 82 | UNDEFINED | -7 | 43 | Guinea pig | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
| CHEMBL637 | 201368 | 82 | UNDEFINED | -7 | 43 | Guinea pig | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
| 54841 | 201428 | 51 | UNDEFINED | -1 | 30 | Guinea pig | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | ||
| CHEMBL641 | 201428 | 51 | UNDEFINED | -1 | 30 | Guinea pig | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | ||
| 1269 | 121 | 33 | 3H-TIOTIDINE | -338 | 4 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | None | ||
| 37463 | 121 | 33 | 3H-TIOTIDINE | -338 | 4 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | None | ||
| CHEMBL275443 | 121 | 33 | 3H-TIOTIDINE | -338 | 4 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 125 | 2 | 2 | 2 | 0.2 | Cc1c(CCN)nc[nH]1 | None | ||
| 179 | 396 | 107 | 3H-TIOTIDINE | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 2159 | 396 | 107 | 3H-TIOTIDINE | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 963 | 396 | 107 | 3H-TIOTIDINE | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| CHEMBL243712 | 396 | 107 | 3H-TIOTIDINE | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| DB06288 | 396 | 107 | 3H-TIOTIDINE | -4365 | 51 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 242 | 467 | 117 | 3H-TIOTIDINE | -7244 | 52 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 467 | 117 | 3H-TIOTIDINE | -7244 | 52 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 467 | 117 | 3H-TIOTIDINE | -7244 | 52 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 467 | 117 | 3H-TIOTIDINE | -7244 | 52 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 467 | 117 | 3H-TIOTIDINE | -7244 | 52 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 1231 | 922 | 112 | 3H-Histamine | -2 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| 2756 | 922 | 112 | 3H-Histamine | -2 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| 645 | 922 | 112 | 3H-Histamine | -2 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| CHEMBL30 | 922 | 112 | 3H-Histamine | -2 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| DB00501 | 922 | 112 | 3H-Histamine | -2 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| 1248 | 1391 | 27 | 3H-TIOTIDINE | -338 | 7 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
| 3077 | 1391 | 27 | 3H-TIOTIDINE | -338 | 7 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
| 90045 | 1391 | 27 | 3H-TIOTIDINE | -338 | 7 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
| CHEMBL12344 | 1391 | 27 | 3H-TIOTIDINE | -338 | 7 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
| 1204 | 1893 | 114 | 3H-TIOTIDINE | -794 | 25 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1204 | 1893 | 114 | 3H-TIOTIDINE | -173 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1247 | 1893 | 114 | 3H-TIOTIDINE | -794 | 25 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1247 | 1893 | 114 | 3H-TIOTIDINE | -173 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1375 | 1893 | 114 | 3H-TIOTIDINE | -794 | 25 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1375 | 1893 | 114 | 3H-TIOTIDINE | -173 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 774 | 1893 | 114 | 3H-TIOTIDINE | -794 | 25 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 774 | 1893 | 114 | 3H-TIOTIDINE | -173 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| CHEMBL90 | 1893 | 114 | 3H-TIOTIDINE | -794 | 25 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| CHEMBL90 | 1893 | 114 | 3H-TIOTIDINE | -173 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| DB05381 | 1893 | 114 | 3H-TIOTIDINE | -794 | 25 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| DB05381 | 1893 | 114 | 3H-TIOTIDINE | -173 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 134 | 2468 | 19 | 3H-TIOTIDINE | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1775 | 2468 | 19 | 3H-TIOTIDINE | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 9681 | 2468 | 19 | 3H-TIOTIDINE | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| CHEMBL1065 | 2468 | 19 | 3H-TIOTIDINE | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| DB00247 | 2468 | 19 | 3H-TIOTIDINE | -8511 | 68 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 15897 | 2807 | 0 | 3H-TIOTIDINE | -354 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2807 | 0 | 3H-TIOTIDINE | -354 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2807 | 0 | 3H-TIOTIDINE | -354 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 2337 | 3193 | 72 | 3H-TIOTIDINE | -1122 | 63 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3193 | 72 | 3H-TIOTIDINE | -1122 | 63 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3193 | 72 | 3H-TIOTIDINE | -1122 | 63 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3193 | 72 | 3H-TIOTIDINE | -1122 | 63 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3193 | 72 | 3H-TIOTIDINE | -1122 | 63 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 1234 | 3227 | 0 | 3H-Histamine | -2 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| 3001055 | 3227 | 0 | 3H-Histamine | -2 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| CHEMBL512 | 3227 | 0 | 3H-Histamine | -2 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| DB00863 | 3227 | 0 | 3H-Histamine | -2 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| 6917970 | 3622 | 54 | 3H-TIOTIDINE | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
| 8370 | 3622 | 54 | 3H-TIOTIDINE | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
| CHEMBL487387 | 3622 | 54 | 3H-TIOTIDINE | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
| 1267 | 3732 | 43 | 125I-aminopotentidine | -4168 | 28 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 1267 | 3732 | 43 | 3H-TIOTIDINE | -4168 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 3035905 | 3732 | 43 | 125I-aminopotentidine | -4168 | 28 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 3035905 | 3732 | 43 | 3H-TIOTIDINE | -4168 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| CHEMBL260374 | 3732 | 43 | 125I-aminopotentidine | -4168 | 28 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| CHEMBL260374 | 3732 | 43 | 3H-TIOTIDINE | -4168 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 1235 | 3751 | 32 | 3H-Histamine | -3 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | ||
| 3959 | 3751 | 32 | 3H-Histamine | -3 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | ||
| 50287 | 3751 | 32 | 3H-Histamine | -3 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | ||
| CHEMBL269646 | 3751 | 32 | 3H-Histamine | -3 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | ||
| 2662 | 11264 | 124 | 3H-TIOTIDINE | -41 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | None | ||
| CHEMBL118 | 11264 | 124 | 3H-TIOTIDINE | -41 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | None | ||
| 10297 | 26890 | 29 | 3H-TIOTIDINE | -38 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | ||
| CHEMBL136560 | 26890 | 29 | 3H-TIOTIDINE | -38 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | ||
| 156391 | 46522 | 95 | 3H-TIOTIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
| CHEMBL1200806 | 46522 | 95 | 3H-TIOTIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
| CHEMBL154 | 46522 | 95 | 3H-TIOTIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
| 10624 | 69942 | 17 | 3H-TIOTIDINE | -776 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
| 138543650 | 69942 | 17 | 3H-TIOTIDINE | -776 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
| CHEMBL194378 | 69942 | 17 | 3H-TIOTIDINE | -776 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
| 2244 | 93785 | 96 | 3H-TIOTIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | ||
| CHEMBL25 | 93785 | 96 | 3H-TIOTIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | ||
| 446220 | 132985 | 13 | 3H-TIOTIDINE | -1778 | 46 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | ||
| CHEMBL370805 | 132985 | 13 | 3H-TIOTIDINE | -1778 | 46 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | ||
| 44208932 | 140163 | 6 | UNDEFINED | -120226 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | ||
| CHEMBL381689 | 140163 | 6 | UNDEFINED | -120226 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | ||
| 1615 | 167217 | 22 | 3H-PYRILAMINE | -26 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| 1615 | 167217 | 22 | 3H-TIOTIDINE | -26 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| CHEMBL43048 | 167217 | 22 | 3H-PYRILAMINE | -26 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| CHEMBL43048 | 167217 | 22 | 3H-TIOTIDINE | -26 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| 12016890 | 190172 | 4 | 3H-TIOTIDINE | -16982 | 12 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 4 | 1 | 3 | 2.6 | NC(=O)c1ccc(F)c2c1CC(N(C1CCC1)C1CCC1)CO2 | None | ||
| CHEMBL5183389 | 190172 | 4 | 3H-TIOTIDINE | -16982 | 12 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 318 | 4 | 1 | 3 | 2.6 | NC(=O)c1ccc(F)c2c1CC(N(C1CCC1)C1CCC1)CO2 | None | ||
| 54676228 | 192864 | 108 | 3H-TIOTIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | None | ||
| CHEMBL527 | 192864 | 108 | 3H-TIOTIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | None | ||
| 4495 | 194850 | 87 | 3H-TIOTIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | ||
| CHEMBL56367 | 194850 | 87 | 3H-TIOTIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | ||
| 54677470 | 198857 | 110 | 3H-TIOTIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | ||
| CHEMBL1256873 | 198857 | 110 | 3H-TIOTIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | ||
| CHEMBL599 | 198857 | 110 | 3H-TIOTIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | ||
| 162265 | 200578 | 19 | 3H-TIOTIDINE | -239 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 4786 | 200578 | 19 | 3H-TIOTIDINE | -239 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| CHEMBL61006 | 200578 | 19 | 3H-TIOTIDINE | -239 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 1973 | 201781 | 12 | 3H-APT | -3 | 37 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| CHEMBL1394464 | 201781 | 12 | 3H-APT | -3 | 37 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| CHEMBL66089 | 201781 | 12 | 3H-APT | -3 | 37 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| 4054 | 203780 | 64 | 3H-TIOTIDINE | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| CHEMBL1699 | 203780 | 64 | 3H-TIOTIDINE | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| CHEMBL807 | 203780 | 64 | 3H-TIOTIDINE | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| 11954224 | 214164 | 0 | 3H-TIOTIDINE | -141253 | 60 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
| None | 214207 | 0 | I125- Tiotodine | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 329 | 2 | 0 | 4 | 3.6 | CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl | None | ||
| 104911 | 214239 | 0 | 3H-TIOTIDINE | -41686 | 38 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 530 | 7 | 0 | 5 | 5.1 | COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.Cl.Cl.Cl | None | ||
| 104911 | 214239 | 0 | 3H-TIOTIDINE | -41686 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 530 | 7 | 0 | 5 | 5.1 | COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.Cl.Cl.Cl | None | ||
| 25137849 | 214415 | 0 | 3H-TIOTIDINE | -4 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
| 71290 | 214415 | 0 | 3H-TIOTIDINE | -4 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
| 3337 | 214431 | 0 | 3H-TIOTIDINE | -1513 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214431 | 0 | 3H-TIOTIDINE | -1513 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214431 | 0 | 3H-TIOTIDINE | -1513 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214431 | 0 | 3H-TIOTIDINE | -1513 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 3821 | 214539 | 0 | 3H-TIOTIDINE | -1 | 18 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 237 | 2 | 1 | 2 | 2.9 | CNC1(CCCCC1=O)C2=CC=CC=C2Cl | None | ||
| None | 214550 | 0 | 3H-TIOTIDINE | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 240 | 7 | 4 | 6 | -0.8 | C(C(C(=O)O)N)SSCC(C(=O)O)N | None | ||
| None | 214551 | 0 | 3H-TIOTIDINE | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 4 | 2 | 3 | 0.2 | CSCCC(C(=O)O)N | None | ||
| None | 214552 | 0 | 3H-TIOTIDINE | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 3 | 3 | 3 | -0.3 | C(CS)C(C(=O)O)N | None | ||
| None | 214553 | 0 | 3H-TIOTIDINE | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 121 | 2 | 3 | 3 | -0.7 | C(C(C(=O)O)N)S | None | ||
| None | 214554 | 0 | 3H-TIOTIDINE | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 117 | 0 | 1 | 3 | -0.0 | C1CSC(=O)C1N | None | ||
| None | 214555 | 0 | 3H-TIOTIDINE | -1 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 153 | 3 | 3 | 3 | -1.4 | C(C(C(=O)O)N)S(=O)O | None | ||
| None | 214556 | 0 | 3H-TIOTIDINE | -1 | 39 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 3 | 3 | 4 | -1.7 | C(C(C(=O)O)N)S(=O)(=O)O | None | ||
| None | 214564 | 0 | 3H-TIOTIDINE | -13 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 2 | 1 | 2 | 1.2 | CC(C(=O)C1=CC=CC=C1)N | None | ||
| 1576 | 214565 | 0 | 3H-TIOTIDINE | -16 | 41 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 163 | 3 | 1 | 2 | 1.5 | CC(C(=O)C1=CC=CC=C1)NC | None | ||
| 135269 | 214629 | 0 | 3H-TIOTIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 222 | 5 | 1 | 3 | 2.5 | CCCCC(=O)OC1=CC=CC=C1C(=O)O | None | ||
| 23681059 | 214630 | 0 | 3H-TIOTIDINE | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O | None | ||
| 5018304 | 214631 | 0 | 3H-TIOTIDINE | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 317 | 4 | 1 | 3 | 0.0 | C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+] | None | ||
| 3672 | 214632 | 0 | 3H-TIOTIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 206 | 4 | 1 | 1 | 3.1 | CC(C)CC1=CC=C(C=C1)C(C)C(=O)O | None | ||
| 84003 | 214633 | 0 | 3H-TIOTIDINE | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 376 | 6 | 5 | 7 | -0.0 | C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O.C(C(CO)(CO)N)O | None | ||
| 123619 | 214634 | 0 | 3H-TIOTIDINE | -1412 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 358 | 3 | 0 | 4 | 4.2 | CC1=NC=C(C=C1)C2=NC=C(C=C2C3=CC=C(C=C3)S(=O)(=O)C)Cl | None | ||
| 119828 | 214635 | 0 | 3H-TIOTIDINE | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 5 | 1 | 5 | 3.5 | CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C | None | ||
| 5090 | 214636 | 0 | 3H-TIOTIDINE | -1348 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3 | None | ||
| 119607 | 214637 | 0 | 3H-TIOTIDINE | -97 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 1 | 4 | 3.0 | CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N | None | ||
| None | 214638 | 0 | 3H-TIOTIDINE | -7 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 517 | 8 | 2 | 5 | 5.2 | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCCC4=CC=C(C=C4)NC(=O)C | None | ||
| None | 214693 | 0 | Functional | -660 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | ||
| None | 214693 | 0 | UNDEFINED | -660 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 322 | 5 | 2 | 3 | 4.1 | CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl | None | ||
| None | 214737 | 0 | 3H-TIOTIDINE | -4570 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 347 | 6 | 0 | 3 | 5.0 | CC(=O)N(CC1=CC=CC=C1OC)C2=CC=CC=C2OC3=CC=CC=C3 | None | ||
| None | 214742 | 0 | 125I-aminopotentidine | -10471285 | 17 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 372 | 2 | 1 | 3 | 4.4 | CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=N3)Cl | None | ||
| None | 214743 | 0 | 125I-aminopotentidine | -1 | 14 | Guinea pig | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 399 | 7 | 4 | 5 | 1.8 | CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(CC(=O)O)C(=O)O.O | None | ||
| None | 215331 | 0 | UNDEFINED | -3467 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 463 | 4 | 1 | 4 | 3.7 | C1C(C(=NN1C(=NS(=O)(=O)C2=CC=C(C=C2)C#N)N)C3=CC=C(C=C3)Cl)C4=CC=CC=C4 | None | ||
| 1353 | 1872 | 85 | 3H-TIOTIDINE | -131 | 86 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1872 | 85 | 3H-TIOTIDINE | -131 | 86 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1872 | 85 | 3H-TIOTIDINE | -131 | 86 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1872 | 85 | 3H-TIOTIDINE | -131 | 86 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1872 | 85 | 3H-TIOTIDINE | -131 | 86 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 1129 | 1584 | 89 | 3H-TIOTIDINE | -1 | 2 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
| 3325 | 1584 | 89 | 3H-TIOTIDINE | -1 | 2 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
| 5353622 | 1584 | 89 | 3H-TIOTIDINE | -1 | 2 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
| 5702160 | 1584 | 89 | 3H-TIOTIDINE | -1 | 2 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
| 7074 | 1584 | 89 | 3H-TIOTIDINE | -1 | 2 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
| CHEMBL902 | 1584 | 89 | 3H-TIOTIDINE | -1 | 2 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
| DB00927 | 1584 | 89 | 3H-TIOTIDINE | -1 | 2 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 337 | 7 | 4 | 6 | -0.8 | NC(=Nc1scc(n1)CSCC/C(=N/S(=O)(=O)N)/N)N | None | ||
| 2389 | 3267 | 114 | 3H-TIOTIDINE | -346 | 68 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3267 | 114 | 3H-TIOTIDINE | -346 | 68 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3267 | 114 | 3H-TIOTIDINE | -346 | 68 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3267 | 114 | 3H-TIOTIDINE | -346 | 68 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3267 | 114 | 3H-TIOTIDINE | -346 | 68 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 115237 | 55281 | 113 | 3H-TIOTIDINE | -123 | 55 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| CHEMBL1621 | 55281 | 113 | 3H-TIOTIDINE | -123 | 55 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| 100 | 3733 | 52 | 3H-TIOTIDINE | -46 | 56 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3733 | 52 | 3H-TIOTIDINE | -46 | 56 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3733 | 52 | 3H-TIOTIDINE | -46 | 56 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3733 | 52 | 3H-TIOTIDINE | -46 | 56 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3733 | 52 | 3H-TIOTIDINE | -46 | 56 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 1204 | 1893 | 114 | 3H-Histamine | -173 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1247 | 1893 | 114 | 3H-Histamine | -173 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1375 | 1893 | 114 | 3H-Histamine | -173 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 774 | 1893 | 114 | 3H-Histamine | -173 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| CHEMBL90 | 1893 | 114 | 3H-Histamine | -173 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| DB05381 | 1893 | 114 | 3H-Histamine | -173 | 25 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1235 | 3751 | 32 | 125I-iodoaminopotentidine | -3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | ||
| 3959 | 3751 | 32 | 125I-iodoaminopotentidine | -3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | ||
| 50287 | 3751 | 32 | 125I-iodoaminopotentidine | -3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | ||
| CHEMBL269646 | 3751 | 32 | 125I-iodoaminopotentidine | -3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | ||
| 135398737 | 942 | 89 | 3H-TIOTIDINE | -64 | 92 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 942 | 89 | 3H-TIOTIDINE | -64 | 92 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 942 | 89 | 3H-TIOTIDINE | -64 | 92 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 942 | 89 | 3H-TIOTIDINE | -64 | 92 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 942 | 89 | 3H-TIOTIDINE | -64 | 92 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 1204 | 1893 | 114 | 3H-TIOTIDINE | -316 | 25 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1247 | 1893 | 114 | 3H-TIOTIDINE | -316 | 25 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1375 | 1893 | 114 | 3H-TIOTIDINE | -316 | 25 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 774 | 1893 | 114 | 3H-TIOTIDINE | -316 | 25 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| CHEMBL90 | 1893 | 114 | 3H-TIOTIDINE | -316 | 25 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| DB05381 | 1893 | 114 | 3H-TIOTIDINE | -316 | 25 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 2726 | 904 | 64 | 3H-TIOTIDINE | -85 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 904 | 64 | 3H-TIOTIDINE | -85 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 904 | 64 | 3H-TIOTIDINE | -85 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 904 | 64 | 3H-TIOTIDINE | -85 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 904 | 64 | 3H-TIOTIDINE | -85 | 73 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 46780481 | 107032 | 18 | 3H-TIOTIDINE | -21 | 54 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 9903970 | 107032 | 18 | 3H-TIOTIDINE | -21 | 54 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3187365 | 107032 | 18 | 3H-TIOTIDINE | -21 | 54 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3544974 | 107032 | 18 | 3H-TIOTIDINE | -21 | 54 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 1613 | 2306 | 44 | 3H-TIOTIDINE | -10 | 45 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 205 | 2306 | 44 | 3H-TIOTIDINE | -10 | 45 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 3964 | 2306 | 44 | 3H-TIOTIDINE | -10 | 45 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| CHEMBL831 | 2306 | 44 | 3H-TIOTIDINE | -10 | 45 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| DB00408 | 2306 | 44 | 3H-TIOTIDINE | -10 | 45 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 21830793 | 91389 | 5 | 3H-8-OH-DPAT | -14125 | 46 | Bovine | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
| CHEMBL2413154 | 91389 | 5 | 3H-8-OH-DPAT | -14125 | 46 | Bovine | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
| None | 214492 | 0 | 125I-aminopotentidine | -1905 | 21 | Guinea pig | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 416 | 9 | 3 | 4 | 2.8 | C1=CC(=CC=C1CCNC(N)SCCCC2=CN=CN2)I | None | ||
| 1226 | 1980 | 16 | 3H-Histamine | -7 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
| 41376 | 1980 | 16 | 3H-Histamine | -7 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
| CHEMBL12608 | 1980 | 16 | 3H-Histamine | -7 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
| 1248 | 1391 | 27 | 125I-iodoaminopotentidine | -123 | 7 | Human | 4.6 | pKi | = | 4.6 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
| 3077 | 1391 | 27 | 125I-iodoaminopotentidine | -123 | 7 | Human | 4.6 | pKi | = | 4.6 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
| 90045 | 1391 | 27 | 125I-iodoaminopotentidine | -123 | 7 | Human | 4.6 | pKi | = | 4.6 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
| CHEMBL12344 | 1391 | 27 | 125I-iodoaminopotentidine | -123 | 7 | Human | 4.6 | pKi | = | 4.6 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
| 119570 | 3098 | 90 | 3H-TIOTIDINE | -281 | 40 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 2233 | 3098 | 90 | 3H-TIOTIDINE | -281 | 40 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 953 | 3098 | 90 | 3H-TIOTIDINE | -281 | 40 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| CHEMBL301265 | 3098 | 90 | 3H-TIOTIDINE | -281 | 40 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| DB00413 | 3098 | 90 | 3H-TIOTIDINE | -281 | 40 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 3032915 | 15306 | 20 | 3H-TIOTIDINE | -51 | 7 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | ||
| CHEMBL12160 | 15306 | 20 | 3H-TIOTIDINE | -51 | 7 | Guinea pig | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | ||
| 1248 | 1391 | 27 | 3H-Histamine | -123 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
| 3077 | 1391 | 27 | 3H-Histamine | -123 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
| 90045 | 1391 | 27 | 3H-Histamine | -123 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
| CHEMBL12344 | 1391 | 27 | 3H-Histamine | -123 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 161 | 4 | 2 | 3 | 0.6 | CN(CCCSC(=N)N)C | None | ||
| 213 | 3780 | 50 | 3H-TIOTIDINE | -12 | 44 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 2717 | 3780 | 50 | 3H-TIOTIDINE | -12 | 44 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 5533 | 3780 | 50 | 3H-TIOTIDINE | -12 | 44 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| CHEMBL621 | 3780 | 50 | 3H-TIOTIDINE | -12 | 44 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| DB00656 | 3780 | 50 | 3H-TIOTIDINE | -12 | 44 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 1235 | 3751 | 32 | 3H-TIOTIDINE | 1 | 5 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | ||
| 3959 | 3751 | 32 | 3H-TIOTIDINE | 1 | 5 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | ||
| 50287 | 3751 | 32 | 3H-TIOTIDINE | 1 | 5 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | ||
| CHEMBL269646 | 3751 | 32 | 3H-TIOTIDINE | 1 | 5 | Guinea pig | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | None | ||
| 135409468 | 1996 | 63 | 3H-TIOTIDINE | -123 | 40 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| 333 | 1996 | 63 | 3H-TIOTIDINE | -123 | 40 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| CHEMBL845 | 1996 | 63 | 3H-TIOTIDINE | -123 | 40 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| 2865 | 4064 | 67 | 3H-TIOTIDINE | -281 | 54 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4064 | 67 | 3H-TIOTIDINE | -281 | 54 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4064 | 67 | 3H-TIOTIDINE | -281 | 54 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4064 | 67 | 3H-TIOTIDINE | -281 | 54 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4064 | 67 | 3H-TIOTIDINE | -281 | 54 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 62865 | 1243 | 0 | 3H-Cimetidine | -128 | 15 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| 746 | 1243 | 0 | 3H-Cimetidine | -128 | 15 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| 84 | 1243 | 0 | 3H-Cimetidine | -128 | 15 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| CHEMBL2104153 | 1243 | 0 | 3H-Cimetidine | -128 | 15 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| DB09000 | 1243 | 0 | 3H-Cimetidine | -128 | 15 | Guinea pig | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| 3032915 | 15306 | 20 | 3H-Histamine | -25 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | ||
| CHEMBL12160 | 15306 | 20 | 3H-Histamine | -25 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | ||
| 1234 | 3227 | 0 | 3H-TIOTIDINE | 1 | 7 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| 3001055 | 3227 | 0 | 3H-TIOTIDINE | 1 | 7 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| CHEMBL512 | 3227 | 0 | 3H-TIOTIDINE | 1 | 7 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| DB00863 | 3227 | 0 | 3H-TIOTIDINE | 1 | 7 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| 3032915 | 15306 | 20 | 125I-iodoaminopotentidine | -25 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | ||
| CHEMBL12160 | 15306 | 20 | 125I-iodoaminopotentidine | -25 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 212 | 5 | 3 | 2 | 1.2 | C/N=C(\S)NCCCCc1c[nH]cn1 | None | ||
| 1204 | 1893 | 114 | None | -173 | 25 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1247 | 1893 | 114 | None | -173 | 25 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1375 | 1893 | 114 | None | -173 | 25 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 774 | 1893 | 114 | None | -173 | 25 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| CHEMBL90 | 1893 | 114 | None | -173 | 25 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| DB05381 | 1893 | 114 | None | -173 | 25 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 18609376 | 202646 | 61 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | None | ||
| 6279 | 202646 | 61 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | None | ||
| CHEMBL717 | 202646 | 61 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 386 | 2 | 0 | 4 | 4.7 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | None | ||
| 3823 | 49936 | 38 | None | -66 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
| 76973198 | 49936 | 38 | None | -66 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
| CHEMBL157101 | 49936 | 38 | None | -66 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
| 104903 | 56035 | 14 | None | -5 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | None | ||
| CHEMBL1630578 | 56035 | 14 | None | -5 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 624 | 6 | 0 | 8 | 5.5 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 | None | ||
| 5048 | 3072 | 57 | None | -114 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | None | ||
| 8924 | 3072 | 57 | None | -114 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | None | ||
| 9948102 | 3072 | 57 | None | -114 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | None | ||
| CHEMBL462605 | 3072 | 57 | None | -114 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | None | ||
| DB11642 | 3072 | 57 | None | -114 | 7 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | None | ||
| 176 | 394 | 63 | None | -6 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| 2157 | 394 | 63 | None | -6 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| 2566 | 394 | 63 | None | -6 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| CHEMBL633 | 394 | 63 | None | -6 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| DB01118 | 394 | 63 | None | -6 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| 11954259 | 214191 | 0 | 3H-TIOTIDINE | -1348 | 44 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C | None | ||
| 135398745 | 2858 | 108 | 3H-TIOTIDINE | -9 | 66 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2858 | 108 | 3H-TIOTIDINE | -9 | 66 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2858 | 108 | 3H-TIOTIDINE | -9 | 66 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2858 | 108 | 3H-TIOTIDINE | -9 | 66 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 1231 | 922 | 112 | 3H-TIOTIDINE | -2 | 8 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| 2756 | 922 | 112 | 3H-TIOTIDINE | -2 | 8 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| 645 | 922 | 112 | 3H-TIOTIDINE | -2 | 8 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| CHEMBL30 | 922 | 112 | 3H-TIOTIDINE | -2 | 8 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| DB00501 | 922 | 112 | 3H-TIOTIDINE | -2 | 8 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| 1016 | 3678 | 75 | None | -41 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 2561 | 3678 | 75 | None | -41 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 2733526 | 3678 | 75 | None | -41 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 5384 | 3678 | 75 | None | -41 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| CHEMBL83 | 3678 | 75 | None | -41 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| DB00675 | 3678 | 75 | None | -41 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 1210 | 903 | 45 | None | -281 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 1213 | 903 | 45 | None | -281 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 2725 | 903 | 45 | None | -281 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 33036 | 903 | 45 | None | -281 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 4411 | 903 | 45 | None | -281 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 616 | 903 | 45 | None | -281 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 6976 | 903 | 45 | None | -281 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 716121 | 903 | 45 | None | -281 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 90475904 | 903 | 45 | None | -281 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL1201353 | 903 | 45 | None | -281 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL1554789 | 903 | 45 | None | -281 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL505 | 903 | 45 | None | -281 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| DB01114 | 903 | 45 | None | -281 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| DB13679 | 903 | 45 | None | -281 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 4601 | 205010 | 29 | None | -7 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL1201023 | 205010 | 29 | None | -7 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL900 | 205010 | 29 | None | -7 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| 4189 | 205185 | 91 | None | -36 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| CHEMBL1559 | 205185 | 91 | None | -36 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| CHEMBL91 | 205185 | 91 | None | -36 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| 2812 | 4696 | 96 | None | -33 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
| CHEMBL104 | 4696 | 96 | None | -33 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
| 1530 | 2142 | 44 | None | -151 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| 3827 | 2142 | 44 | None | -151 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| 7206 | 2142 | 44 | None | -151 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| CHEMBL534 | 2142 | 44 | None | -151 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| DB00920 | 2142 | 44 | None | -151 | 21 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| 237 | 203147 | 43 | None | -3 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
| CHEMBL546257 | 203147 | 43 | None | -3 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
| CHEMBL554190 | 203147 | 43 | None | -3 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
| CHEMBL7568 | 203147 | 43 | None | -3 | 13 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
| 2865 | 4064 | 67 | None | -281 | 54 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4064 | 67 | None | -281 | 54 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4064 | 67 | None | -281 | 54 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4064 | 67 | None | -281 | 54 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4064 | 67 | None | -281 | 54 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 213 | 3780 | 50 | None | -12 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 2717 | 3780 | 50 | None | -12 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 5533 | 3780 | 50 | None | -12 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| CHEMBL621 | 3780 | 50 | None | -12 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| DB00656 | 3780 | 50 | None | -12 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 1599 | 2299 | 47 | None | -154 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
| 3955 | 2299 | 47 | None | -154 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
| 7215 | 2299 | 47 | None | -154 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL841 | 2299 | 47 | None | -154 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
| DB00836 | 2299 | 47 | None | -154 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | None | ||
| 3191 | 102372 | 93 | None | -24 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | ||
| CHEMBL305660 | 102372 | 93 | None | -24 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | ||
| 2284 | 3121 | 27 | None | -53 | 29 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 4926 | 3121 | 27 | None | -53 | 29 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 7281 | 3121 | 27 | None | -53 | 29 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| CHEMBL564 | 3121 | 27 | None | -53 | 29 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| DB00420 | 3121 | 27 | None | -53 | 29 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 2520 | 202301 | 65 | None | -20 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | ||
| CHEMBL1280 | 202301 | 65 | None | -20 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | ||
| CHEMBL6966 | 202301 | 65 | None | -20 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | ||
| 4543 | 169972 | 36 | None | -22 | 30 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL1201156 | 169972 | 36 | None | -22 | 30 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL445 | 169972 | 36 | None | -22 | 30 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
| 2801 | 161313 | 56 | None | -12 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
| CHEMBL1200710 | 161313 | 56 | None | -12 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
| CHEMBL415 | 161313 | 56 | None | -12 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
| 5291 | 205694 | 115 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 493 | 7 | 2 | 7 | 4.6 | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | None | ||
| CHEMBL941 | 205694 | 115 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 493 | 7 | 2 | 7 | 4.6 | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | None | ||
| 1225 | 1438 | 24 | None | -20 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 3958 | 1438 | 24 | None | -20 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 667477 | 1438 | 24 | None | -20 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| CHEMBL860 | 1438 | 24 | None | -20 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| DB01142 | 1438 | 24 | None | -20 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 2247 | 502 | 77 | None | -56 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 249 | 502 | 77 | None | -56 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 2603 | 502 | 77 | None | -56 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| CHEMBL296419 | 502 | 77 | None | -56 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| DB00637 | 502 | 77 | None | -56 | 42 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 3042 | 1381 | 31 | None | -53 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 355 | 1381 | 31 | None | -53 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 868 | 1381 | 31 | None | -53 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| CHEMBL1123 | 1381 | 31 | None | -53 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| DB00804 | 1381 | 31 | None | -53 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 3198 | 203792 | 73 | None | -19 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| CHEMBL1201049 | 203792 | 73 | None | -19 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| CHEMBL808 | 203792 | 73 | None | -19 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| 57469 | 18663 | 120 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | None | ||
| CHEMBL1282 | 18663 | 120 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 240 | 2 | 1 | 4 | 2.8 | CC(C)Cn1cnc2c(N)nc3ccccc3c21 | None | ||
| 1231 | 922 | 112 | None | 1 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| 2756 | 922 | 112 | None | 1 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| 645 | 922 | 112 | None | 1 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| CHEMBL30 | 922 | 112 | None | 1 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| DB00501 | 922 | 112 | None | 1 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| 1201549 | 590 | 22 | None | -74 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 333 | 590 | 22 | None | -74 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 7601 | 590 | 22 | None | -74 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL1201203 | 590 | 22 | None | -74 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL438151 | 590 | 22 | None | -74 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| DB00245 | 590 | 22 | None | -74 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 2286 | 3122 | 48 | None | -26 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 4927 | 3122 | 48 | None | -26 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 7282 | 3122 | 48 | None | -26 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| CHEMBL643 | 3122 | 48 | None | -26 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| DB01069 | 3122 | 48 | None | -26 | 30 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 11057 | 175565 | 19 | None | -2 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
| 3468 | 175565 | 19 | None | -2 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
| CHEMBL459265 | 175565 | 19 | None | -2 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
| CHEMBL64894 | 175565 | 19 | None | -2 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
| 124087 | 1357 | 106 | None | -29 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| 7157 | 1357 | 106 | None | -29 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| 814 | 1357 | 106 | None | -29 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| CHEMBL1172 | 1357 | 106 | None | -29 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| DB00967 | 1357 | 106 | None | -29 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| 1588 | 2284 | 24 | None | -323 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 28864 | 2284 | 24 | None | -323 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 43 | 2284 | 24 | None | -323 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL157138 | 2284 | 24 | None | -323 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB00589 | 2284 | 24 | None | -323 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 103 | 4074 | 56 | 3H-TIOTIDINE | -46 | 54 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4074 | 56 | 3H-TIOTIDINE | -46 | 54 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4074 | 56 | 3H-TIOTIDINE | -46 | 54 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4074 | 56 | 3H-TIOTIDINE | -46 | 54 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4074 | 56 | 3H-TIOTIDINE | -46 | 54 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 1226 | 1980 | 16 | 125I-iodoaminopotentidine | -7 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
| 41376 | 1980 | 16 | 125I-iodoaminopotentidine | -7 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
| CHEMBL12608 | 1980 | 16 | 125I-iodoaminopotentidine | -7 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
| 1204 | 1893 | 114 | 125I-iodoaminopotentidine | -173 | 25 | Human | 4.3 | pKi | = | 4.3 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1247 | 1893 | 114 | 125I-iodoaminopotentidine | -173 | 25 | Human | 4.3 | pKi | = | 4.3 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1375 | 1893 | 114 | 125I-iodoaminopotentidine | -173 | 25 | Human | 4.3 | pKi | = | 4.3 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 774 | 1893 | 114 | 125I-iodoaminopotentidine | -173 | 25 | Human | 4.3 | pKi | = | 4.3 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| CHEMBL90 | 1893 | 114 | 125I-iodoaminopotentidine | -173 | 25 | Human | 4.3 | pKi | = | 4.3 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| DB05381 | 1893 | 114 | 125I-iodoaminopotentidine | -173 | 25 | Human | 4.3 | pKi | = | 4.3 | Binding | PDSP KiDatabase | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | None | ||
| 1233 | 2469 | 0 | 3H-TIOTIDINE | 3 | 4 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 244 | 5 | 3 | 3 | 1.0 | CNC(=S)NCCSCc1nc[nH]c1C | None | ||
| 1548992 | 2469 | 0 | 3H-TIOTIDINE | 3 | 4 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 244 | 5 | 3 | 3 | 1.0 | CNC(=S)NCCSCc1nc[nH]c1C | None | ||
| CHEMBL275446 | 2469 | 0 | 3H-TIOTIDINE | 3 | 4 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 244 | 5 | 3 | 3 | 1.0 | CNC(=S)NCCSCc1nc[nH]c1C | None | ||
| DB08805 | 2469 | 0 | 3H-TIOTIDINE | 3 | 4 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 244 | 5 | 3 | 3 | 1.0 | CNC(=S)NCCSCc1nc[nH]c1C | None | ||
| 1212 | 1624 | 45 | 3H-TIOTIDINE | -323 | 66 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 204 | 1624 | 45 | 3H-TIOTIDINE | -323 | 66 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3372 | 1624 | 45 | 3H-TIOTIDINE | -323 | 66 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL726 | 1624 | 45 | 3H-TIOTIDINE | -323 | 66 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00623 | 1624 | 45 | 3H-TIOTIDINE | -323 | 66 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 1223 | 938 | 32 | 3H-TIOTIDINE | -32359 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
| 2790 | 938 | 32 | 3H-TIOTIDINE | -32359 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
| CHEMBL14690 | 938 | 32 | 3H-TIOTIDINE | -32359 | 11 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | None | ||
| 135 | 2486 | 38 | None | -39 | 58 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2486 | 38 | None | -39 | 58 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2486 | 38 | None | -39 | 58 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2486 | 38 | None | -39 | 58 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2486 | 38 | None | -39 | 58 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 33630 | 178369 | 94 | None | -13 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | None | ||
| CHEMBL47050 | 178369 | 94 | None | -13 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | None | ||
| 1353 | 1872 | 85 | None | -131 | 86 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1872 | 85 | None | -131 | 86 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1872 | 85 | None | -131 | 86 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1872 | 85 | None | -131 | 86 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1872 | 85 | None | -131 | 86 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 133 | 2450 | 48 | None | -141 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 1723 | 2450 | 48 | None | -141 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 28693 | 2450 | 48 | None | -141 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| CHEMBL19215 | 2450 | 48 | None | -141 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| DB13520 | 2450 | 48 | None | -141 | 43 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | None | ||
| 1234 | 3227 | 0 | None | -1 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| 3001055 | 3227 | 0 | None | -1 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| CHEMBL512 | 3227 | 0 | None | -1 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| DB00863 | 3227 | 0 | None | -1 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| 1212 | 1624 | 45 | None | -323 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 204 | 1624 | 45 | None | -323 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3372 | 1624 | 45 | None | -323 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL726 | 1624 | 45 | None | -323 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00623 | 1624 | 45 | None | -323 | 66 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3389 | 215972 | 0 | None | -1 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 549 | 12 | 0 | 6 | 6.8 | CCCCCCC(=O)OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1 | None | ||
| 103 | 4074 | 56 | None | -46 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4074 | 56 | None | -46 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4074 | 56 | None | -46 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4074 | 56 | None | -46 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4074 | 56 | None | -46 | 54 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 212 | 3734 | 43 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| 2639 | 3734 | 43 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| 941651 | 3734 | 43 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| CHEMBL1201 | 3734 | 43 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| DB01623 | 3734 | 43 | None | -6 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| 4011 | 81982 | 43 | None | -27 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
| CHEMBL21731 | 81982 | 43 | None | -27 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
| 26987 | 934 | 29 | None | -177 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| 6063 | 934 | 29 | None | -177 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| 671 | 934 | 29 | None | -177 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| CHEMBL1626 | 934 | 29 | None | -177 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| DB00283 | 934 | 29 | None | -177 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| 1613 | 2306 | 44 | None | -10 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 205 | 2306 | 44 | None | -10 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 3964 | 2306 | 44 | None | -10 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| CHEMBL831 | 2306 | 44 | None | -10 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| DB00408 | 2306 | 44 | None | -10 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 277 | 1269 | 55 | None | -43 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 2913 | 1269 | 55 | None | -43 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 765 | 1269 | 55 | None | -43 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| CHEMBL516 | 1269 | 55 | None | -43 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| DB00434 | 1269 | 55 | None | -43 | 46 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 4806 | 3933 | 85 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | ||
| 7351 | 3933 | 85 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | ||
| 9966051 | 3933 | 85 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | ||
| CHEMBL2104993 | 3933 | 85 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | ||
| DB09068 | 3933 | 85 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 298 | 3 | 1 | 3 | 3.9 | Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1 | None | ||
| 2726 | 904 | 64 | None | -85 | 73 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 904 | 64 | None | -85 | 73 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 904 | 64 | None | -85 | 73 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 904 | 64 | None | -85 | 73 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 904 | 64 | None | -85 | 73 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 135398737 | 942 | 89 | None | -64 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 942 | 89 | None | -64 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 942 | 89 | None | -64 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 942 | 89 | None | -64 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 942 | 89 | None | -64 | 92 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 100 | 3733 | 52 | None | -46 | 56 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3733 | 52 | None | -46 | 56 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3733 | 52 | None | -46 | 56 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3733 | 52 | None | -46 | 56 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3733 | 52 | None | -46 | 56 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2389 | 3267 | 114 | None | -346 | 68 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3267 | 114 | None | -346 | 68 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3267 | 114 | None | -346 | 68 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3267 | 114 | None | -346 | 68 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3267 | 114 | None | -346 | 68 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 115237 | 55281 | 113 | None | -123 | 55 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| CHEMBL1621 | 55281 | 113 | None | -123 | 55 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| 1226 | 1980 | 16 | 3H-TIOTIDINE | -3 | 7 | Guinea pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
| 41376 | 1980 | 16 | 3H-TIOTIDINE | -3 | 7 | Guinea pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
| CHEMBL12608 | 1980 | 16 | 3H-TIOTIDINE | -3 | 7 | Guinea pig | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | None | ||
| 1231 | 922 | 112 | 125I-iodoaminopotentidine | -2 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| 2756 | 922 | 112 | 125I-iodoaminopotentidine | -2 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| 645 | 922 | 112 | 125I-iodoaminopotentidine | -2 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| CHEMBL30 | 922 | 112 | 125I-iodoaminopotentidine | -2 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| DB00501 | 922 | 112 | 125I-iodoaminopotentidine | -2 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | None | ||
| 657255 | 197396 | 29 | None | -3 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | None | ||
| CHEMBL588119 | 197396 | 29 | None | -3 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | None | ||
| 135398745 | 2858 | 108 | None | -9 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2858 | 108 | None | -9 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2858 | 108 | None | -9 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2858 | 108 | None | -9 | 66 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 1234 | 3227 | 0 | 125I-iodoaminopotentidine | -2 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| 3001055 | 3227 | 0 | 125I-iodoaminopotentidine | -2 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| CHEMBL512 | 3227 | 0 | 125I-iodoaminopotentidine | -2 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| DB00863 | 3227 | 0 | 125I-iodoaminopotentidine | -2 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | None | ||
| 5048 | 3072 | 57 | None | -114 | 7 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | ||
| 8924 | 3072 | 57 | None | -114 | 7 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | ||
| 9948102 | 3072 | 57 | None | -114 | 7 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | ||
| CHEMBL462605 | 3072 | 57 | None | -114 | 7 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | ||
| DB11642 | 3072 | 57 | None | -114 | 7 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 295 | 8 | 0 | 2 | 4.2 | Clc1ccc(cc1)CCCOCCCN1CCCCC1 | 26084539 | ||
| 1231 | 922 | 112 | None | 1 | 8 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 9384502 | ||
| 2756 | 922 | 112 | None | 1 | 8 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 9384502 | ||
| 645 | 922 | 112 | None | 1 | 8 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 9384502 | ||
| CHEMBL30 | 922 | 112 | None | 1 | 8 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 9384502 | ||
| DB00501 | 922 | 112 | None | 1 | 8 | Rat | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 9384502 | ||
| 1234 | 3227 | 0 | None | -1 | 7 | Rat | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 9384502 | ||
| 3001055 | 3227 | 0 | None | -1 | 7 | Rat | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 9384502 | ||
| CHEMBL512 | 3227 | 0 | None | -1 | 7 | Rat | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 9384502 | ||
| DB00863 | 3227 | 0 | None | -1 | 7 | Rat | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 9384502 | ||
| 1231 | 922 | 112 | None | -2 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 23466604 | ||
| 2756 | 922 | 112 | None | -2 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 23466604 | ||
| 645 | 922 | 112 | None | -2 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 23466604 | ||
| CHEMBL30 | 922 | 112 | None | -2 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 23466604 | ||
| DB00501 | 922 | 112 | None | -2 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 252 | 5 | 3 | 4 | 0.6 | N#CNC(=NC)NCCSCc1nc[nH]c1C | 23466604 | ||
| 1234 | 3227 | 0 | None | -2 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 7921611 | ||
| 3001055 | 3227 | 0 | None | -2 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 7921611 | ||
| CHEMBL512 | 3227 | 0 | None | -2 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 7921611 | ||
| DB00863 | 3227 | 0 | None | -2 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 314 | 10 | 2 | 7 | 1.5 | CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C | 7921611 | ||
| 1235 | 3751 | 32 | None | -1 | 5 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 9384502 | ||
| 3959 | 3751 | 32 | None | -1 | 5 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 9384502 | ||
| 50287 | 3751 | 32 | None | -1 | 5 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 9384502 | ||
| CHEMBL269646 | 3751 | 32 | None | -1 | 5 | Rat | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 312 | 6 | 4 | 6 | -0.1 | N#CNC(=NC)NCCSCc1csc(n1)N=C(N)N | 9384502 | ||
| 1265 | 927 | 54 | None | -17782 | 8 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 26084539 | ||
| 6422124 | 927 | 54 | None | -17782 | 8 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 26084539 | ||
| CHEMBL14638 | 927 | 54 | None | -17782 | 8 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 270 | 7 | 1 | 3 | 3.0 | O=C(c1ccc(cc1)OCCCc1[nH]cnc1)C1CC1 | 26084539 | ||
| 441082 | 1136 | 40 | None | -2137 | 8 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 26084539 | ||
| 8981 | 1136 | 40 | None | -2137 | 8 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 26084539 | ||
| CHEMBL191703 | 1136 | 40 | None | -2137 | 8 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 356 | 1 | 0 | 2 | 4.8 | CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C | 26084539 | ||
| 11697697 | 2500 | 19 | None | -6309 | 6 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 431 | 6 | 0 | 5 | 4.6 | Cc1nc2cccc(c2c(=O)n1c1ccc(cc1)OCCCN1CCCC1)C(F)(F)F | 26084539 | ||
| 7346 | 2500 | 19 | None | -6309 | 6 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 431 | 6 | 0 | 5 | 4.6 | Cc1nc2cccc(c2c(=O)n1c1ccc(cc1)OCCCN1CCCC1)C(F)(F)F | 26084539 | ||
| CHEMBL476323 | 2500 | 19 | None | -6309 | 6 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 431 | 6 | 0 | 5 | 4.6 | Cc1nc2cccc(c2c(=O)n1c1ccc(cc1)OCCCN1CCCC1)C(F)(F)F | 26084539 | ||
| DB11910 | 2500 | 19 | None | -6309 | 6 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | 431 | 6 | 0 | 5 | 4.6 | Cc1nc2cccc(c2c(=O)n1c1ccc(cc1)OCCCN1CCCC1)C(F)(F)F | 26084539 | ||
| 117072554 | 1984 | 0 | None | -1000 | 4 | Human | 5.3 | pKi | > | 5.3 | Binding | Guide to Pharmacology | 450 | 5 | 2 | 6 | 2.3 | CN1CCN(CC1)C1=CC(=NC(N1)N)c1ccc2c(c1)CN(CC2)C(=O)CCC1CCCC1 | 26084539 | ||
| 8982 | 1984 | 0 | None | -1000 | 4 | Human | 5.3 | pKi | > | 5.3 | Binding | Guide to Pharmacology | 450 | 5 | 2 | 6 | 2.3 | CN1CCN(CC1)C1=CC(=NC(N1)N)c1ccc2c(c1)CN(CC2)C(=O)CCC1CCCC1 | 26084539 | ||
| 24994634 | 2102 | 26 | None | -194 | 7 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 26084539 | ||
| 8984 | 2102 | 26 | None | -194 | 7 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 26084539 | ||
| CHEMBL3236549 | 2102 | 26 | None | -194 | 7 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | 221 | 2 | 2 | 5 | 0.7 | N[C@@H]1CCN(C1)c1cc(nc(n1)N)C(C)C | 26084539 | ||
| 45257132 | 3613 | 3 | None | -83 | 4 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N | 26084539 | ||
| 8983 | 3613 | 3 | None | -83 | 4 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N | 26084539 | ||
| CHEMBL595180 | 3613 | 3 | None | -83 | 4 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | 366 | 4 | 2 | 6 | 2.7 | CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(n1)N | 26084539 | ||
| 119570 | 3098 | 90 | None | -281 | 40 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 2233 | 3098 | 90 | None | -281 | 40 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 953 | 3098 | 90 | None | -281 | 40 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| CHEMBL301265 | 3098 | 90 | None | -281 | 40 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| DB00413 | 3098 | 90 | None | -281 | 40 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 1204 | 1893 | 114 | None | -316 | 25 | Rat | 3.8 | pKi | None | 3.8 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 9384502 | ||
| 1247 | 1893 | 114 | None | -316 | 25 | Rat | 3.8 | pKi | None | 3.8 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 9384502 | ||
| 1375 | 1893 | 114 | None | -316 | 25 | Rat | 3.8 | pKi | None | 3.8 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 9384502 | ||
| 774 | 1893 | 114 | None | -316 | 25 | Rat | 3.8 | pKi | None | 3.8 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 9384502 | ||
| CHEMBL90 | 1893 | 114 | None | -316 | 25 | Rat | 3.8 | pKi | None | 3.8 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 9384502 | ||
| DB05381 | 1893 | 114 | None | -316 | 25 | Rat | 3.8 | pKi | None | 3.8 | Binding | Guide to Pharmacology | 111 | 2 | 2 | 2 | -0.1 | NCCc1cnc[nH]1 | 9384502 | ||
| 1218 | 227 | 47 | None | -3548 | 4 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 330 | 4 | 0 | 3 | 5.0 | N#Cc1ccc(cc1)c1ccc2c(c1)cc(o2)CCN1CCC[C@H]1C | 15608078 | ||
| 9818903 | 227 | 47 | None | -3548 | 4 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 330 | 4 | 0 | 3 | 5.0 | N#Cc1ccc(cc1)c1ccc2c(c1)cc(o2)CCN1CCC[C@H]1C | 15608078 | ||
| CHEMBL351231 | 227 | 47 | None | -3548 | 4 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 330 | 4 | 0 | 3 | 5.0 | N#Cc1ccc(cc1)c1ccc2c(c1)cc(o2)CCN1CCC[C@H]1C | 15608078 | ||
| 1223 | 938 | 32 | None | -32359 | 11 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 12606603 | ||
| 2790 | 938 | 32 | None | -32359 | 11 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 12606603 | ||
| CHEMBL14690 | 938 | 32 | None | -32359 | 11 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 308 | 6 | 2 | 3 | 3.2 | Clc1ccc(cc1)CN=C(SCCCc1cnc[nH]1)N | 12606603 | ||
| 1229 | 730 | 0 | None | -63 | 6 | Rat | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 8692899 | ||
| 5311293 | 730 | 0 | None | -63 | 6 | Rat | 5.5 | pKi | None | 5.5 | Binding | Guide to Pharmacology | 262 | 5 | 3 | 2 | 2.0 | CNC(=S)NCCCCc1cccc2c1cn[nH]2 | 8692899 | ||
| 1233 | 2469 | 0 | None | -3 | 4 | Rat | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 244 | 5 | 3 | 3 | 1.0 | CNC(=S)NCCSCc1nc[nH]c1C | 9384502 | ||
| 1548992 | 2469 | 0 | None | -3 | 4 | Rat | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 244 | 5 | 3 | 3 | 1.0 | CNC(=S)NCCSCc1nc[nH]c1C | 9384502 | ||
| CHEMBL275446 | 2469 | 0 | None | -3 | 4 | Rat | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 244 | 5 | 3 | 3 | 1.0 | CNC(=S)NCCSCc1nc[nH]c1C | 9384502 | ||
| DB08805 | 2469 | 0 | None | -3 | 4 | Rat | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | 244 | 5 | 3 | 3 | 1.0 | CNC(=S)NCCSCc1nc[nH]c1C | 9384502 | ||
| 1200 | 3888 | 1 | None | 4 | 3 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 335 | 8 | 4 | 5 | 0.7 | O=C(NC(=NCCCc1cnc[nH]1)N)CSCc1nc[nH]c1C | 16394198 | ||
| 25149519 | 3888 | 1 | None | 4 | 3 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 335 | 8 | 4 | 5 | 0.7 | O=C(NC(=NCCCc1cnc[nH]1)N)CSCc1nc[nH]c1C | 16394198 | ||
| CHEMBL513056 | 3888 | 1 | None | 4 | 3 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | 335 | 8 | 4 | 5 | 0.7 | O=C(NC(=NCCCc1cnc[nH]1)N)CSCc1nc[nH]c1C | 16394198 | ||
| 1199 | 2916 | 0 | None | 37 | 3 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 394 | 8 | 3 | 4 | 2.5 | NC(=NCCCc1[nH]cnc1)NC(=O)CC(c1ccccn1)c1ccc(cc1)F | 16394198 | ||
| 25149244 | 2916 | 0 | None | 37 | 3 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 394 | 8 | 3 | 4 | 2.5 | NC(=NCCCc1[nH]cnc1)NC(=O)CC(c1ccccn1)c1ccc(cc1)F | 16394198 | ||
| CHEMBL472273 | 2916 | 0 | None | 37 | 3 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 394 | 8 | 3 | 4 | 2.5 | NC(=NCCCc1[nH]cnc1)NC(=O)CC(c1ccccn1)c1ccc(cc1)F | 16394198 | ||
| 1221 | 472 | 9 | None | -2 | 3 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 380 | 9 | 3 | 3 | 3.0 | NC(=NCCCc1[nH]cnc1)NCCC(c1ccccn1)c1ccc(cc1)F | 16394198 | ||
| 65895 | 472 | 9 | None | -2 | 3 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 380 | 9 | 3 | 3 | 3.0 | NC(=NCCCc1[nH]cnc1)NCCC(c1ccccn1)c1ccc(cc1)F | 16394198 | ||
| CHEMBL293802 | 472 | 9 | None | -2 | 3 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 380 | 9 | 3 | 3 | 3.0 | NC(=NCCCc1[nH]cnc1)NCCC(c1ccccn1)c1ccc(cc1)F | 16394198 | ||
| 1226 | 1980 | 16 | None | -7 | 7 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 16394198 | ||
| 41376 | 1980 | 16 | None | -7 | 7 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 16394198 | ||
| CHEMBL12608 | 1980 | 16 | None | -7 | 7 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 321 | 9 | 4 | 4 | 1.2 | NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C | 16394198 | ||
| 1232 | 2017 | 6 | None | 6 | 2 | Rat | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 603 | 11 | 4 | 6 | 3.1 | N#CNC(=NCCCOc1cccc(c1)CN1CCCCC1)NCCNC(=O)c1ccc(c(c1)I)N | 9384502 | ||
| 181461 | 2017 | 6 | None | 6 | 2 | Rat | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 603 | 11 | 4 | 6 | 3.1 | N#CNC(=NCCCOc1cccc(c1)CN1CCCCC1)NCCNC(=O)c1ccc(c(c1)I)N | 9384502 | ||
| CHEMBL72193 | 2017 | 6 | None | 6 | 2 | Rat | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 603 | 11 | 4 | 6 | 3.1 | N#CNC(=NCCCOc1cccc(c1)CN1CCCCC1)NCCNC(=O)c1ccc(c(c1)I)N | 9384502 | ||