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 |
| 42637503 | 194134 | 0 | None | 100 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1238 | 19 | 12 | 15 | 2.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL558161 | 194134 | 0 | None | 100 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1238 | 19 | 12 | 15 | 2.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL563125 | 213959 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](c2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm801314f | ||||
| 42637069 | 193827 | 0 | None | 48 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1074 | 15 | 10 | 13 | 1.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL553655 | 193827 | 0 | None | 48 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 1074 | 15 | 10 | 13 | 1.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL556949 | 213949 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm801314f | ||||
| 68254010 | 165850 | 0 | None | -1778 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 559 | 10 | 2 | 7 | 6.6 | CCOc1cc(CN2CC[C@H]3C(Nc4nc5ccc(C(=O)O)cc5o4)CC[C@H]32)cc(OCC)c1-c1ccc(F)cc1 | 10.1021/acsmedchemlett.8b00305 | ||
| CHEMBL4277106 | 165850 | 0 | None | -1778 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 559 | 10 | 2 | 7 | 6.6 | CCOc1cc(CN2CC[C@H]3C(Nc4nc5ccc(C(=O)O)cc5o4)CC[C@H]32)cc(OCC)c1-c1ccc(F)cc1 | 10.1021/acsmedchemlett.8b00305 | ||
| 145705877 | 216005 | 0 | None | 1 | 5 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 1047 | 17 | 9 | 11 | 3.4 | NCCCC[C@@H]1NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)C(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(OCC3=CC=CC=C3)C=C2)NC1=O)OC(=O)NCCN)C1=CC=CC=C1 | None | ||
| 2027 | 648 | 0 | None | -398 | 5 | Human | 5.6 | pIC50 | = | 5.6 | Functional | Guide to Pharmacology | None | None | None | None | 11897676 | ||||
| 2003 | 634 | 0 | None | -79 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | Guide to Pharmacology | None | None | None | None | 8100350 | ||||
| 2006 | 891 | 0 | None | -15 | 2 | Rat | 7.3 | pIC50 | = | 7.3 | Functional | Guide to Pharmacology | None | None | None | None | 9166718 | ||||
| 2010 | 1344 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | Guide to Pharmacology | None | None | None | None | 15658864 | ||||
| 2011 | 1342 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | Guide to Pharmacology | None | None | None | None | 15658865 | ||||
| 2018 | 2946 | 22 | None | -63 | 5 | Human | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | None | None | None | None | 15477717 | ||||
| 9941444 | 2946 | 22 | None | -63 | 5 | Human | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | None | None | None | None | 15477717 | ||||
| CHEMBL3349607 | 2946 | 22 | None | -63 | 5 | Human | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | None | None | None | None | 15477717 | ||||
| DB06663 | 2946 | 22 | None | -63 | 5 | Human | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | None | None | None | None | 15477717 | ||||
| 2025 | 1250 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 15658865 | ||||
| 2009 | 1341 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | None | None | None | None | 15658865 | ||||
| 2013 | 2140 | 0 | None | -3 | 6 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 12450568 | ||||
| 2012 | 1343 | 0 | None | 1 | 4 | Human | 9.0 | pIC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 15658864 | ||||
| 2026 | 647 | 0 | None | -31 | 5 | Human | 6.0 | pIC50 | None | 6 | Functional | Guide to Pharmacology | None | None | None | None | 11897676 | ||||
| 2019 | 3605 | 0 | None | -50 | 4 | Rat | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 9166718 | ||||
| 44386062 | 3605 | 0 | None | -50 | 4 | Rat | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 9166718 | ||||
| CHEMBL440072 | 3605 | 0 | None | -50 | 4 | Rat | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 9166718 | ||||
| 2006 | 891 | 0 | None | 15 | 2 | Human | 8.5 | pIC50 | None | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 9600011 | ||||
| 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 |
| 124168080 | 181242 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 507 | 6 | 2 | 7 | 4.4 | Cc1cc(Cl)cc(-c2cnc3ncn(-c4cc(O)cc(F)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| CHEMBL4778342 | 181242 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 507 | 6 | 2 | 7 | 4.4 | Cc1cc(Cl)cc(-c2cnc3ncn(-c4cc(O)cc(F)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1 | 10.1016/j.bmcl.2020.127496 | ||
| 16129706 | 207277 | 36 | None | -6 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.bmc.2013.03.016 | ||||
| CHEMBL1823872 | 207277 | 36 | None | -6 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.bmc.2013.03.016 | ||||
| 42637503 | 194134 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 1238 | 19 | 12 | 15 | 2.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL558161 | 194134 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 1238 | 19 | 12 | 15 | 2.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| 45268875 | 193927 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 1363 | 19 | 12 | 15 | 2.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3I)CSSC[C@@H](C(=O)N[C@@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL555977 | 193927 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 1363 | 19 | 12 | 15 | 2.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3I)CSSC[C@@H](C(=O)N[C@@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL408338 | 210949 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm049520l | ||||
| 45268875 | 193927 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 1363 | 19 | 12 | 15 | 2.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3I)CSSC[C@@H](C(=O)N[C@@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL555977 | 193927 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 1363 | 19 | 12 | 15 | 2.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3I)CSSC[C@@H](C(=O)N[C@@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| 42637069 | 193827 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 1074 | 15 | 10 | 13 | 1.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL553655 | 193827 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 1074 | 15 | 10 | 13 | 1.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL409100 | 210989 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@@H]1CSSC[C@H](C(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm010037+ | ||||
| 70689723 | 73605 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1170 | 16 | 9 | 12 | 4.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL2021559 | 73605 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 1170 | 16 | 9 | 12 | 4.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| 16129706 | 207277 | 36 | None | -6 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | ||||
| CHEMBL1823872 | 207277 | 36 | None | -6 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | ||||
| 16129706 | 207277 | 36 | None | -6 | 5 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.ejmech.2013.12.003 | ||||
| CHEMBL1823872 | 207277 | 36 | None | -6 | 5 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.ejmech.2013.12.003 | ||||
| CHEMBL442494 | 212155 | 0 | None | -6 | 5 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm801205x | ||||
| 16129706 | 207277 | 36 | None | -6 | 5 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm049519m | ||||
| CHEMBL1823872 | 207277 | 36 | None | -6 | 5 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm049519m | ||||
| CHEMBL262379 | 208783 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC1=O | 10.1021/jm049520l | ||||
| CHEMBL425465 | 211577 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049520l | ||||
| CHEMBL3350911 | 209773 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | ||||
| 118718507 | 114846 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1050 | 14 | 11 | 12 | 3.4 | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)NC(C)(C)C)NC1=O | 10.1021/jm970730q | ||
| CHEMBL3349670 | 114846 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1050 | 14 | 11 | 12 | 3.4 | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)NC(C)(C)C)NC1=O | 10.1021/jm970730q | ||
| CHEMBL2079558 | 207440 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349505 | 209654 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm970730q | ||||
| CHEMBL3349506 | 209655 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm970730q | ||||
| CHEMBL3349508 | 209657 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](N)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm970730q | ||||
| CHEMBL3349597 | 209670 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O | 10.1021/jm970730q | ||||
| CHEMBL3349608 | 209680 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm970730q | ||||
| CHEMBL3349610 | 209681 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(C)(C)SSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349611 | 209682 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349612 | 209683 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349613 | 209684 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349617 | 209687 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm970730q | ||||
| CHEMBL3349618 | 209688 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm970730q | ||||
| CHEMBL3349663 | 209691 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2cccc(-c3ccccc3)c2)CSSC[C@@H](C(=O)N[C@@H](Cc2cccc(-c3ccccc3)c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349665 | 209693 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2cccc(-c3ccccc3)c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349668 | 209696 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2cccc(-c3ccccc3)c2)CSSC[C@@H](C(=O)N[C@@H](Cc2cccc(-c3ccccc3)c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349673 | 209700 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349674 | 209701 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](N)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/jm970730q | ||||
| CHEMBL3349675 | 209702 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349678 | 209705 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3349680 | 209707 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O | 10.1021/jm970730q | ||||
| 49865345 | 15720 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1043 | 18 | 13 | 12 | 0.7 | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C/C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 | 10.1021/jm1005868 | ||
| CHEMBL1223230 | 15720 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 1043 | 18 | 13 | 12 | 0.7 | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C/C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1 | 10.1021/jm1005868 | ||
| CHEMBL3349667 | 209695 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2cccc(-c3ccccc3)c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL412629 | 211255 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | None | None | None | CNCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||||
| CHEMBL3349679 | 209706 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL408825 | 210977 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||||
| CHEMBL2374244 | 208628 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCC(=O)NCC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N3)cc1 | 10.1021/jm049519m | ||||
| CHEMBL3349507 | 209656 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| 162646037 | 178924 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1387 | 27 | 17 | 19 | -2.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
| CHEMBL4741230 | 178924 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1387 | 27 | 17 | 19 | -2.0 | CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
| 25188780 | 12310 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 489 | 10 | 4 | 4 | 2.4 | CC(=O)N[C@@H]1Cc2c([nH]c3ccccc23)CN([C@@H](CCCCN)C(=O)NCCc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1185941 | 12310 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 489 | 10 | 4 | 4 | 2.4 | CC(=O)N[C@@H]1Cc2c([nH]c3ccccc23)CN([C@@H](CCCCN)C(=O)NCCc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL442605 | 12310 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 489 | 10 | 4 | 4 | 2.4 | CC(=O)N[C@@H]1Cc2c([nH]c3ccccc23)CN([C@@H](CCCCN)C(=O)NCCc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL540408 | 213927 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||||
| CHEMBL3349666 | 209694 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2cccc(-c3ccccc3)c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL410047 | 211040 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049519m | ||||
| CHEMBL408611 | 210966 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CN[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(CNC(C)C)cc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm049520l | ||||
| CHEMBL3350881 | 209748 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL3350895 | 209761 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL426698 | 211590 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CC(C)CNCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||||
| 122179477 | 120947 | 3 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL3582336 | 120947 | 3 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL1824049 | 207279 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | ||||
| CHEMBL3122130 | 209352 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.ejmech.2013.12.003 | ||||
| CHEMBL500326 | 212330 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL554624 | 213939 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](N)Cc3ccccc3)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||||
| CHEMBL556949 | 213949 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm801314f | ||||
| CHEMBL387005 | 210646 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3I)C(=O)N[C@H]3CCCCNC(=O)CC[C@@H](NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049519m | ||||
| CHEMBL411002 | 211099 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049519m | ||||
| CHEMBL265120 | 208882 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CN[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(CNC(C)C)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm049520l | ||||
| CHEMBL411002 | 211099 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||||
| CHEMBL1824050 | 207280 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | ||||
| CHEMBL3349671 | 209698 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(-c3ccccc3)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL410144 | 211044 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||||
| CHEMBL385811 | 210611 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||||
| CHEMBL436887 | 211933 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||||
| CHEMBL414749 | 211395 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||||
| CHEMBL438776 | 212040 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||||
| CHEMBL555737 | 213944 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm801314f | ||||
| CHEMBL414716 | 211391 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||||
| CHEMBL2079563 | 207442 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL446380 | 212186 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| 44388108 | 161134 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1667 | 22 | 20 | 21 | 0.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCCCC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||
| CHEMBL413413 | 161134 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 1667 | 22 | 20 | 21 | 0.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCCCC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||
| CHEMBL414692 | 211389 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049520l | ||||
| CHEMBL3351090 | 209788 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| 44388133 | 166639 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1710 | 22 | 21 | 22 | -0.9 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCC(=O)NCCC[C@@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||
| CHEMBL429164 | 166639 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 1710 | 22 | 21 | 22 | -0.9 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCC(=O)NCCC[C@@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||
| CHEMBL563461 | 213961 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@](C)([C@@H](C)O)NC2=O)cc1 | 10.1021/jm801314f | ||||
| CHEMBL268205 | 208988 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||||
| CHEMBL436887 | 211933 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||||
| CHEMBL440083 | 212103 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCNC(N)=O)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||||
| CHEMBL3122129 | 209351 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)COCCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.ejmech.2013.12.003 | ||||
| CHEMBL437905 | 211980 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)N(C)C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||||
| CHEMBL3122124 | 209347 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.ejmech.2013.12.003 | ||||
| CHEMBL409952 | 211030 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)CSSC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||||
| CHEMBL2373256 | 208618 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||||
| 25188220 | 12370 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 565 | 11 | 4 | 4 | 4.2 | C[C@H](NC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)c1ccccc1 | 10.1021/jm801205x | ||
| CHEMBL1186489 | 12370 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 565 | 11 | 4 | 4 | 4.2 | C[C@H](NC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)c1ccccc1 | 10.1021/jm801205x | ||
| CHEMBL466609 | 12370 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 565 | 11 | 4 | 4 | 4.2 | C[C@H](NC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)c1ccccc1 | 10.1021/jm801205x | ||
| CHEMBL407858 | 210933 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||||
| 42637283 | 193832 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1334 | 20 | 11 | 14 | 5.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL553672 | 193832 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1334 | 20 | 11 | 14 | 5.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL559150 | 213957 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm801314f | ||||
| CHEMBL265836 | 208911 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049519m | ||||
| CHEMBL386784 | 210635 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049519m | ||||
| CHEMBL442494 | 212155 | 0 | None | -6 | 5 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/ml200032v | ||||
| CHEMBL442494 | 212155 | 0 | None | -6 | 5 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm701445q | ||||
| CHEMBL1823873 | 207278 | 7 | None | 1 | 4 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | ||||
| CHEMBL442494 | 212155 | 0 | None | -6 | 5 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm070886i | ||||
| CHEMBL442494 | 212155 | 0 | None | -6 | 5 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm1005868 | ||||
| CHEMBL1909004 | 207320 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC(=O)[C@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm801314f | ||||
| CHEMBL559022 | 207320 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC(=O)[C@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm801314f | ||||
| CHEMBL413419 | 211307 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3I)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||||
| CHEMBL263340 | 208813 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||||
| CHEMBL1824051 | 207281 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | ||||
| CHEMBL442494 | 212155 | 0 | None | -6 | 5 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm701618q | ||||
| CHEMBL442494 | 212155 | 0 | None | -6 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm801314f | ||||
| 45273131 | 193108 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1271 | 20 | 11 | 14 | 2.8 | CN(C(=O)c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(C(N)=O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm801314f | ||
| CHEMBL538451 | 193108 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 1271 | 20 | 11 | 14 | 2.8 | CN(C(=O)c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(C(N)=O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm801314f | ||
| CHEMBL2311181 | 207752 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| 156009460 | 177641 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1667 | 22 | 20 | 21 | 0.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCCCC[C@@H](NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||
| CHEMBL4649897 | 177641 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 1667 | 22 | 20 | 21 | 0.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCCCC[C@@H](NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||
| CHEMBL439135 | 212068 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N3)cc1 | 10.1021/jm049519m | ||||
| CHEMBL3350897 | 209763 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | C[C@@H](c1c[nH]c2ccccc12)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL3350899 | 209765 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL3349614 | 209685 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL504248 | 212394 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CCSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL504457 | 212396 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL440066 | 212100 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)CSSC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N2C)cc1 | 10.1021/jm049520l | ||||
| CHEMBL413442 | 211314 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)N(C)C(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||||
| 122179457 | 120927 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 495 | 4 | 3 | 8 | 3.7 | Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | ||
| CHEMBL3582317 | 120927 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 495 | 4 | 3 | 8 | 3.7 | Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1 | 10.1016/j.bmcl.2016.02.022 | ||
| 16737814 | 85068 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL227212 | 85068 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL504838 | 85068 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| 16737814 | 85068 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm070246f | ||
| CHEMBL227212 | 85068 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm070246f | ||
| CHEMBL504838 | 85068 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 551 | 11 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm070246f | ||
| 10114 | 2509 | 18 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml300063m | ||
| 56927659 | 2509 | 18 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml300063m | ||
| CHEMBL2204935 | 2509 | 18 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 494 | 4 | 3 | 7 | 4.3 | Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C | 10.1021/ml300063m | ||
| CHEMBL405784 | 210822 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||||
| CHEMBL407027 | 210876 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||||
| CHEMBL3349669 | 209697 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL265615 | 208902 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||||
| 25187683 | 12330 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 627 | 12 | 4 | 4 | 5.2 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1186082 | 12330 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 627 | 12 | 4 | 4 | 5.2 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL448713 | 12330 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 627 | 12 | 4 | 4 | 5.2 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL410428 | 211063 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||||
| 49865343 | 15718 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1147 | 20 | 12 | 13 | 2.2 | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C\C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)N1 | 10.1021/jm1005868 | ||
| CHEMBL1223228 | 15718 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 1147 | 20 | 12 | 13 | 2.2 | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C\C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)N1 | 10.1021/jm1005868 | ||
| CHEMBL384195 | 210562 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N2C)cc1 | 10.1021/jm049520l | ||||
| 25187396 | 12560 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 475 | 9 | 4 | 4 | 2.4 | CC(=O)N[C@@H]1Cc2c([nH]c3ccccc23)CN([C@@H](CCCCN)C(=O)NCc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1187397 | 12560 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 475 | 9 | 4 | 4 | 2.4 | CC(=O)N[C@@H]1Cc2c([nH]c3ccccc23)CN([C@@H](CCCCN)C(=O)NCc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL501699 | 12560 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 475 | 9 | 4 | 4 | 2.4 | CC(=O)N[C@@H]1Cc2c([nH]c3ccccc23)CN([C@@H](CCCCN)C(=O)NCc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL262551 | 208786 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||||
| 44388036 | 159693 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1645 | 18 | 19 | 20 | -0.3 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCCCC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4I)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)CSSC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||
| CHEMBL411001 | 159693 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1645 | 18 | 19 | 20 | -0.3 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCCCC[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4I)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)CSSC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||
| CHEMBL438576 | 212021 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||||
| 59568713 | 131593 | 11 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 466 | 6 | 2 | 8 | 2.0 | Cc1c([C@@H](O)CN2CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)ccc2c1COC2=O | 10.1021/acsmedchemlett.6b00122 | ||
| CHEMBL3696475 | 131593 | 11 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 466 | 6 | 2 | 8 | 2.0 | Cc1c([C@@H](O)CN2CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)ccc2c1COC2=O | 10.1021/acsmedchemlett.6b00122 | ||
| 70683416 | 73604 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1170 | 16 | 9 | 12 | 4.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL2021544 | 73604 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1170 | 16 | 9 | 12 | 4.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL425090 | 211571 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||||
| CHEMBL452157 | 212216 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030246p | ||||
| CHEMBL3350898 | 209764 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL452157 | 212216 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL452157 | 212216 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm200307v | ||||
| 25187400 | 12570 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 537 | 10 | 4 | 4 | 3.7 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1187495 | 12570 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 537 | 10 | 4 | 4 | 3.7 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL504930 | 12570 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 537 | 10 | 4 | 4 | 3.7 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL452157 | 212216 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL452157 | 212216 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm801314f | ||||
| CHEMBL452157 | 212216 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049519m | ||||
| CHEMBL265912 | 208916 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm010037+ | ||||
| CHEMBL3350894 | 209760 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| 44388134 | 140871 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1710 | 22 | 21 | 22 | -0.9 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCC(=O)NCCCC[C@@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||
| CHEMBL384072 | 140871 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 1710 | 22 | 21 | 22 | -0.9 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCC(=O)NCCCC[C@@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||
| 46902023 | 16842 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 544 | 11 | 3 | 7 | 3.7 | COC[C@H]1O[C@@H](OCc2ccc3ccccc3c2)[C@H](NC(=O)CCN)[C@@H](OCc2ccc3ccccc3c2)[C@@H]1O | 10.1021/jm1002777 | ||
| CHEMBL1254476 | 16842 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 544 | 11 | 3 | 7 | 3.7 | COC[C@H]1O[C@@H](OCc2ccc3ccccc3c2)[C@H](NC(=O)CCN)[C@@H](OCc2ccc3ccccc3c2)[C@@H]1O | 10.1021/jm1002777 | ||
| CHEMBL1907758 | 207314 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL442494 | 212155 | 0 | None | -6 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL442494 | 212155 | 0 | None | -6 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm049520l | ||||
| 16151826 | 194173 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1555 | 21 | 18 | 21 | -0.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL558600 | 194173 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1555 | 21 | 18 | 21 | -0.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm801314f | ||
| 44388121 | 166158 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1555 | 21 | 18 | 21 | -0.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||
| CHEMBL428295 | 166158 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1555 | 21 | 18 | 21 | -0.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||
| CHEMBL1908981 | 207316 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC(=O)[C@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm801314f | ||||
| CHEMBL539710 | 207316 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC(=O)[C@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm801314f | ||||
| CHEMBL1907758 | 207314 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm040794i | ||||
| CHEMBL386922 | 210644 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||||
| CHEMBL1907758 | 207314 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | ||||
| CHEMBL1907758 | 207314 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm030243c | ||||
| CHEMBL409653 | 211018 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||||
| CHEMBL414571 | 211386 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||||
| CHEMBL447989 | 212193 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1SS[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL265846 | 208912 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(CN)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC1=O | 10.1021/jm010037+ | ||||
| CHEMBL552013 | 213934 | 3 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm801314f | ||||
| CHEMBL3349664 | 209692 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL2371059 | 208251 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CNc1ccc(C(C(C)C)[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 | 10.1021/jm030245x | ||||
| CHEMBL407125 | 210886 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc4ccccc4c3)N(C)C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||||
| CHEMBL3350905 | 209768 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL3122123 | 209346 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.ejmech.2013.12.003 | ||||
| CHEMBL386023 | 210616 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||||
| CHEMBL413441 | 211313 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||||
| CHEMBL3350884 | 209751 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL428799 | 211713 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||||
| CHEMBL3350891 | 209758 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL437451 | 211962 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(CN)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC1=O | 10.1021/jm010037+ | ||||
| CHEMBL404819 | 210777 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||||
| CHEMBL413378 | 211305 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccc([N+](=O)[O-])cc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||||
| CHEMBL1908984 | 207318 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC2=O)cc1 | 10.1021/jm801314f | ||||
| CHEMBL563124 | 207318 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC2=O)cc1 | 10.1021/jm801314f | ||||
| CHEMBL504395 | 212395 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1CSS[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| 42637136 | 194819 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1074 | 15 | 10 | 13 | 1.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL563462 | 194819 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1074 | 15 | 10 | 13 | 1.6 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| 25189054 | 12580 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 685 | 11 | 4 | 6 | 3.0 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1187568 | 12580 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 685 | 11 | 4 | 6 | 3.0 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O | 10.1021/jm801205x | ||
| CHEMBL509513 | 12580 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 685 | 11 | 4 | 6 | 3.0 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O | 10.1021/jm801205x | ||
| 25187955 | 12315 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 646 | 9 | 4 | 4 | 4.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCC3(CCc4ccccc43)CC2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1185951 | 12315 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 646 | 9 | 4 | 4 | 4.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCC3(CCc4ccccc43)CC2)C1=O | 10.1021/jm801205x | ||
| CHEMBL443084 | 12315 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 646 | 9 | 4 | 4 | 4.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCC3(CCc4ccccc43)CC2)C1=O | 10.1021/jm801205x | ||
| CHEMBL3122127 | 209349 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)NCC(=O)N[C@H]1CSSC[C@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1016/j.ejmech.2013.12.003 | ||||
| 25187679 | 12547 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 571 | 10 | 4 | 4 | 4.3 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccc(Cl)cc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1187340 | 12547 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 571 | 10 | 4 | 4 | 4.3 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccc(Cl)cc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL499398 | 12547 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 571 | 10 | 4 | 4 | 4.3 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccc(Cl)cc2)C1=O | 10.1021/jm801205x | ||
| 25189327 | 12572 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 601 | 11 | 4 | 4 | 4.7 | NCCCC[C@@H](C(=O)NCc1cccc2ccccc12)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1187509 | 12572 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 601 | 11 | 4 | 4 | 4.7 | NCCCC[C@@H](C(=O)NCc1cccc2ccccc12)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL505888 | 12572 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 601 | 11 | 4 | 4 | 4.7 | NCCCC[C@@H](C(=O)NCc1cccc2ccccc12)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| 118719101 | 114928 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1356 | 21 | 16 | 16 | 2.5 | CNc1ccc(C(C(C)C)[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 | 10.1021/jm030245x | ||
| CHEMBL3350724 | 114928 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 1356 | 21 | 16 | 16 | 2.5 | CNc1ccc(C(C(C)C)[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 | 10.1021/jm030245x | ||
| CHEMBL1824052 | 207282 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm200307v | ||||
| 42637563 | 193828 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 989 | 12 | 9 | 12 | 2.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL553656 | 193828 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 989 | 12 | 9 | 12 | 2.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| 44388124 | 158811 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1680 | 21 | 18 | 21 | -0.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3I)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||
| CHEMBL410048 | 158811 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 1680 | 21 | 18 | 21 | -0.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3I)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||
| 44325273 | 205567 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 554 | 7 | 2 | 4 | 5.4 | NCCCC1CCCN2C(=O)[C@@H](Cc3c[nH]c4ccccc34)SCCN(Cc3cccc4ccccc34)C(=O)C12 | 10.1016/s0960-894x(00)00552-7 | ||
| CHEMBL93351 | 205567 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 554 | 7 | 2 | 4 | 5.4 | NCCCC1CCCN2C(=O)[C@@H](Cc3c[nH]c4ccccc34)SCCN(Cc3cccc4ccccc34)C(=O)C12 | 10.1016/s0960-894x(00)00552-7 | ||
| CHEMBL2111257 | 207462 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@H](C)c2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0302445 | ||||
| CHEMBL3350357 | 209719 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm030246p | ||||
| CHEMBL525030 | 213845 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@H]1SSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL415144 | 211414 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)CSSC[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3I)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049520l | ||||
| CHEMBL2369510 | 207876 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||||
| CHEMBL1909006 | 207321 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](N)Cc3ccccc3)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC2=O)cc1 | 10.1021/jm801314f | ||||
| CHEMBL538948 | 207321 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](N)Cc3ccccc3)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC2=O)cc1 | 10.1021/jm801314f | ||||
| 44368406 | 10155 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1022 | 9 | 11 | 12 | 1.1 | C[C@@H]1NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL1161332 | 10155 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 1022 | 9 | 11 | 12 | 1.1 | C[C@@H]1NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL262790 | 208796 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)CSSC[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049520l | ||||
| CHEMBL3350886 | 209753 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL269485 | 209036 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CCN(CC)C(=N)NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC1=O | 10.1021/jm010037+ | ||||
| CHEMBL2079559 | 207441 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2cccc(-c3ccccc3)c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| 44388029 | 95994 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1659 | 18 | 18 | 20 | 0.0 | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3I)C(=O)N[C@H]3CCCCCCNC(=O)CC[C@@H](NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049519m | ||
| CHEMBL262258 | 95994 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1659 | 18 | 18 | 20 | 0.0 | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3I)C(=O)N[C@H]3CCCCCCNC(=O)CC[C@@H](NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049519m | ||
| CHEMBL2079626 | 207443 | 2 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL3350885 | 209752 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]([C@H](C)c2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL2079558 | 207440 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL2079559 | 207441 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2cccc(-c3ccccc3)c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL407051 | 210877 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3I)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049520l | ||||
| CHEMBL406816 | 210866 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||||
| CHEMBL1824055 | 207285 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030246p | ||||
| CHEMBL1824055 | 207285 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL1824055 | 207285 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm200307v | ||||
| CHEMBL216992 | 207593 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049519m | ||||
| CHEMBL2369533 | 207877 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](CO)NC1=O | 10.1021/jm010037+ | ||||
| CHEMBL406197 | 210841 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)CSSC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049520l | ||||
| 10577746 | 205511 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 514 | 8 | 3 | 4 | 4.6 | NCCCC[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)SCCN(Cc2cccc3ccccc23)C1=O | 10.1016/s0960-894x(00)00552-7 | ||
| CHEMBL92914 | 205511 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 514 | 8 | 3 | 4 | 4.6 | NCCCC[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)SCCN(Cc2cccc3ccccc23)C1=O | 10.1016/s0960-894x(00)00552-7 | ||
| CHEMBL3349677 | 209704 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| 11563877 | 164157 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 668 | 9 | 3 | 5 | 5.7 | Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H](C(=O)Nc2cc(CN(C)C)ccc2OC(F)(F)F)[C@@H](C)c2c[nH]c3ccccc23)CC1=O | 10.1016/j.bmc.2017.09.031 | ||
| CHEMBL4217405 | 164157 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 668 | 9 | 3 | 5 | 5.7 | Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H](C(=O)Nc2cc(CN(C)C)ccc2OC(F)(F)F)[C@@H](C)c2c[nH]c3ccccc23)CC1=O | 10.1016/j.bmc.2017.09.031 | ||
| CHEMBL3350893 | 209759 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| CHEMBL413888 | 211338 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||||
| CHEMBL412473 | 211237 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CO)N(C)C(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||||
| 42637210 | 193924 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 989 | 12 | 9 | 12 | 2.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL555956 | 193924 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 989 | 12 | 9 | 12 | 2.4 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL407120 | 210883 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||||
| CHEMBL3349676 | 209703 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL406559 | 210856 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)N(C)C(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||||
| 25187398 | 12327 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 565 | 12 | 4 | 4 | 4.0 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CCc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1186066 | 12327 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 565 | 12 | 4 | 4 | 4.0 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CCc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL448026 | 12327 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 565 | 12 | 4 | 4 | 4.0 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CCc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL503036 | 212379 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1CSS[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL415582 | 211432 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | ||||
| CHEMBL2371100 | 208257 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm030246p | ||||
| 11468916 | 114951 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1137 | 15 | 14 | 14 | 0.6 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | ||
| CHEMBL3350910 | 114951 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 1137 | 15 | 14 | 14 | 0.6 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | ||
| CHEMBL441202 | 212126 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||||
| 71461685 | 79122 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1644 | 25 | 18 | 20 | 1.9 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)CCc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||
| CHEMBL2114095 | 79122 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 1644 | 25 | 18 | 20 | 1.9 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)CCc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||
| 49865347 | 15722 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1197 | 20 | 12 | 13 | 3.4 | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C\C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N[C@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)N1 | 10.1021/jm1005868 | ||
| CHEMBL1223232 | 15722 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1197 | 20 | 12 | 13 | 3.4 | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C\C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N[C@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)N1 | 10.1021/jm1005868 | ||
| 122179477 | 120947 | 3 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL3582336 | 120947 | 3 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 525 | 5 | 3 | 9 | 3.2 | CCn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1 | 10.1021/ml500514w | ||
| CHEMBL415143 | 211413 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)N(C)C(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||||
| CHEMBL3349672 | 209699 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm970730q | ||||
| CHEMBL263587 | 208823 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm049519m | ||||
| CHEMBL1908982 | 207317 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC2=O)cc1 | 10.1021/jm801314f | ||||
| CHEMBL552988 | 207317 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC2=O)cc1 | 10.1021/jm801314f | ||||
| CHEMBL411411 | 211127 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCC(=O)NCC[C@@H](NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N3)cc1 | 10.1021/jm049519m | ||||
| CHEMBL1909003 | 207319 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CCCCCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)c(I)c2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(CNC(C)C)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC1=O | 10.1021/jm801314f | ||||
| CHEMBL540721 | 207319 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CCCCCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)c(I)c2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(CNC(C)C)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC1=O | 10.1021/jm801314f | ||||
| 44388028 | 168191 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1645 | 18 | 19 | 20 | -0.3 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCCCC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4I)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)CSSC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||
| CHEMBL437348 | 168191 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1645 | 18 | 19 | 20 | -0.3 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCCCC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4I)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)CSSC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||
| CHEMBL3350912 | 209774 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | ||||
| 44388123 | 168609 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1681 | 21 | 18 | 21 | 0.2 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3I)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||
| CHEMBL440618 | 168609 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 1681 | 21 | 18 | 21 | 0.2 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3I)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||
| CHEMBL2371051 | 208249 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm0302445 | ||||
| CHEMBL1824056 | 207286 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm200307v | ||||
| 44388120 | 177640 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1696 | 22 | 21 | 22 | -1.3 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCC(=O)NCC[C@@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||
| CHEMBL4649895 | 177640 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1696 | 22 | 21 | 22 | -1.3 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCC(=O)NCC[C@@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||
| CHEMBL414100 | 211351 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCCCNC(=O)CC[C@@H](NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049519m | ||||
| 44388037 | 160420 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1659 | 18 | 18 | 20 | 0.0 | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3I)C(=O)N[C@@H]3CCCCCCNC(=O)CC[C@@H](NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049519m | ||
| CHEMBL411600 | 160420 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1659 | 18 | 18 | 20 | 0.0 | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3I)C(=O)N[C@@H]3CCCCCCNC(=O)CC[C@@H](NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049519m | ||
| 25188218 | 12442 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 565 | 11 | 4 | 4 | 4.2 | C[C@@H](NC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)c1ccccc1 | 10.1021/jm801205x | ||
| CHEMBL1186753 | 12442 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 565 | 11 | 4 | 4 | 4.2 | C[C@@H](NC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)c1ccccc1 | 10.1021/jm801205x | ||
| CHEMBL476240 | 12442 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 565 | 11 | 4 | 4 | 4.2 | C[C@@H](NC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)c1ccccc1 | 10.1021/jm801205x | ||
| 44388132 | 96827 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1696 | 22 | 21 | 22 | -1.3 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCC(=O)NCCC[C@@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||
| CHEMBL269023 | 96827 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 1696 | 22 | 21 | 22 | -1.3 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCC(=O)NCCC[C@@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||
| 11389178 | 114948 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1136 | 15 | 14 | 14 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||
| CHEMBL3350900 | 114948 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1136 | 15 | 14 | 14 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||
| 44368019 | 10153 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1136 | 12 | 12 | 15 | 1.1 | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)N(C(=O)c2ccccc2)C(=O)N(C)[C@H](O)NC(=O)[C@@H](N)CSSCCNC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL1161328 | 10153 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 1136 | 12 | 12 | 15 | 1.1 | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)N(C(=O)c2ccccc2)C(=O)N(C)[C@H](O)NC(=O)[C@@H](N)CSSCCNC(=O)[C@@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| 162651887 | 179681 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 924 | 25 | 12 | 12 | -0.1 | CCC(NC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
| CHEMBL4750625 | 179681 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 924 | 25 | 12 | 12 | -0.1 | CCC(NC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CC(N)=O)C(N)=O | 10.1021/acs.jmedchem.6b00164 | ||
| CHEMBL427658 | 211604 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N2C)cc1 | 10.1021/jm049520l | ||||
| CHEMBL411860 | 211204 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049520l | ||||
| CHEMBL264839 | 208876 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)N(C)C(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||||
| CHEMBL438630 | 212026 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049519m | ||||
| CHEMBL412624 | 211254 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||||
| CHEMBL3349616 | 209686 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm970730q | ||||
| 44388119 | 159818 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1682 | 22 | 21 | 22 | -1.7 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCC(=O)NCC[C@@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||
| CHEMBL411109 | 159818 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 1682 | 22 | 21 | 22 | -1.7 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCC(=O)NCC[C@@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||
| 25189325 | 12325 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 565 | 12 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1186056 | 12325 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 565 | 12 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL447455 | 12325 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 565 | 12 | 4 | 4 | 3.6 | NCCCC[C@@H](C(=O)NCCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL268448 | 208999 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)N(C)C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||||
| 11159133 | 114950 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1152 | 15 | 15 | 15 | 0.1 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | ||
| CHEMBL3350904 | 114950 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1152 | 15 | 15 | 15 | 0.1 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1021/jm030245x | ||
| 25189052 | 12548 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 676 | 10 | 5 | 6 | 3.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1187345 | 12548 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 676 | 10 | 5 | 6 | 3.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1=O | 10.1021/jm801205x | ||
| CHEMBL499681 | 12548 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 676 | 10 | 5 | 6 | 3.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1=O | 10.1021/jm801205x | ||
| CHEMBL455760 | 212245 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2c[nH]c(C(=O)O)c2)CCSSCC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm701445q | ||||
| CHEMBL406373 | 210849 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccc2ccccc2c1)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(I)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0302445 | ||||
| 44388109 | 161196 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1653 | 22 | 20 | 21 | -0.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCCC[C@@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||
| CHEMBL413924 | 161196 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1653 | 22 | 20 | 21 | -0.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCCC[C@@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||
| CHEMBL505128 | 212407 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1SSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| CHEMBL436962 | 211942 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC1=O | 10.1021/jm049519m | ||||
| CHEMBL3122128 | 209350 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)COCCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1016/j.ejmech.2013.12.003 | ||||
| CHEMBL414717 | 211392 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm049520l | ||||
| CHEMBL408654 | 210969 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCNC(N)=O)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||||
| 42637632 | 59944 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1334 | 20 | 11 | 14 | 5.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL174206 | 59944 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 1334 | 20 | 11 | 14 | 5.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL384855 | 210581 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@H]2C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3I)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)CSSC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N2C)cc1 | 10.1021/jm049520l | ||||
| 25187953 | 12565 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 725 | 10 | 4 | 6 | 3.8 | CS(=O)(=O)N1CC2(CCN(C(=O)N[C@@H]3Cc4c([nH]c5ccccc45)CN([C@@H](CCCCN)C(=O)NCc4ccccc4)C3=O)CC2)c2ccccc21 | 10.1021/jm801205x | ||
| CHEMBL1187458 | 12565 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 725 | 10 | 4 | 6 | 3.8 | CS(=O)(=O)N1CC2(CCN(C(=O)N[C@@H]3Cc4c([nH]c5ccccc45)CN([C@@H](CCCCN)C(=O)NCc4ccccc4)C3=O)CC2)c2ccccc21 | 10.1021/jm801205x | ||
| CHEMBL503379 | 12565 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 725 | 10 | 4 | 6 | 3.8 | CS(=O)(=O)N1CC2(CCN(C(=O)N[C@@H]3Cc4c([nH]c5ccccc45)CN([C@@H](CCCCN)C(=O)NCc4ccccc4)C3=O)CC2)c2ccccc21 | 10.1021/jm801205x | ||
| 11457521 | 114947 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1136 | 15 | 14 | 14 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||
| CHEMBL3350892 | 114947 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1136 | 15 | 14 | 14 | 0.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||
| 71460000 | 79234 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1644 | 25 | 18 | 20 | 1.9 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](NC(=O)CCc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||
| CHEMBL2115143 | 79234 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1644 | 25 | 18 | 20 | 1.9 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](NC(=O)CCc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||
| 44368406 | 10155 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1022 | 9 | 11 | 12 | 1.1 | C[C@@H]1NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL1161332 | 10155 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 1022 | 9 | 11 | 12 | 1.1 | C[C@@H]1NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030243c | ||
| CHEMBL3350908 | 209771 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | C[C@@H](c1c[nH]c2ccccc12)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm030245x | ||||
| 25187685 | 12349 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 648 | 11 | 4 | 5 | 3.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C2CCN(C(=O)c3ccccc3)CC2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1186206 | 12349 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 648 | 11 | 4 | 5 | 3.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C2CCN(C(=O)c3ccccc3)CC2)C1=O | 10.1021/jm801205x | ||
| CHEMBL454202 | 12349 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 648 | 11 | 4 | 5 | 3.9 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C2CCN(C(=O)c3ccccc3)CC2)C1=O | 10.1021/jm801205x | ||
| 16738359 | 136646 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 641 | 13 | 4 | 4 | 5.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL374833 | 136646 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 641 | 13 | 4 | 4 | 5.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL453938 | 136646 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 641 | 13 | 4 | 4 | 5.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm801205x | ||
| 16738359 | 136646 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 641 | 13 | 4 | 4 | 5.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm070246f | ||
| CHEMBL374833 | 136646 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 641 | 13 | 4 | 4 | 5.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm070246f | ||
| CHEMBL453938 | 136646 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 641 | 13 | 4 | 4 | 5.6 | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O | 10.1021/jm070246f | ||
| CHEMBL440074 | 212101 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2I)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||||
| 44388107 | 158542 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1653 | 22 | 20 | 21 | -0.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCCC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||
| CHEMBL409747 | 158542 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1653 | 22 | 20 | 21 | -0.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCC(=O)NCCCCC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]([C@@H](C)O)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N3)cc1 | 10.1021/jm049519m | ||
| CHEMBL3349598 | 209671 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm970730q | ||||
| 11642413 | 16904 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 544 | 11 | 3 | 7 | 3.9 | CS[C@@H]1O[C@H](COCc2ccc(Cl)cc2)[C@@H](O)[C@@H](OCc2ccc3ccccc3c2)[C@H]1NC(=O)CCN | 10.1021/jm1002777 | ||
| CHEMBL1254967 | 16904 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 544 | 11 | 3 | 7 | 3.9 | CS[C@@H]1O[C@H](COCc2ccc(Cl)cc2)[C@@H](O)[C@@H](OCc2ccc3ccccc3c2)[C@H]1NC(=O)CCN | 10.1021/jm1002777 | ||
| CHEMBL504087 | 212392 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H]1CCSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm701444y | ||||
| 24777672 | 94458 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1027 | 18 | 12 | 11 | 1.0 | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C\C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 | 10.1021/jm070886i | ||
| CHEMBL254210 | 94458 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1027 | 18 | 12 | 11 | 1.0 | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C\C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 | 10.1021/jm070886i | ||
| 25188496 | 12413 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 476 | 9 | 3 | 5 | 2.5 | COC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL1186630 | 12413 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 476 | 9 | 3 | 5 | 2.5 | COC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| CHEMBL473160 | 12413 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 476 | 9 | 3 | 5 | 2.5 | COC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O | 10.1021/jm801205x | ||
| 42637137 | 194206 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1238 | 19 | 12 | 15 | 2.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| CHEMBL558935 | 194206 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 1238 | 19 | 12 | 15 | 2.0 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm801314f | ||
| 71460000 | 79234 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1644 | 25 | 18 | 20 | 1.9 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](NC(=O)CCc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||
| CHEMBL2115143 | 79234 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 1644 | 25 | 18 | 20 | 1.9 | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](NC(=O)CCc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1 | 10.1021/jm010037+ | ||
| CHEMBL3350890 | 209757 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm030245x | ||||
| 9849682 | 94498 | 0 | None | 8 | 10 | Rat | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 523 | 2 | 1 | 5 | 2.9 | CN1C[C@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL254500 | 94498 | 0 | None | 8 | 10 | Rat | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 523 | 2 | 1 | 5 | 2.9 | CN1C[C@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44441671 | 154433 | 0 | None | 23988 | 2 | Rat | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 542 | 4 | 0 | 10 | 1.8 | CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2Cc3c(cccc3OS(C)(=O)=O)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL401290 | 154433 | 0 | None | 23988 | 2 | Rat | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 542 | 4 | 0 | 10 | 1.8 | CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2Cc3c(cccc3OS(C)(=O)=O)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | ||
| 44447075 | 94135 | 0 | None | 16218 | 2 | Rat | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 507 | 2 | 1 | 7 | 3.5 | CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL252032 | 94135 | 0 | None | 16218 | 2 | Rat | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 507 | 2 | 1 | 7 | 3.5 | CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44447049 | 94500 | 0 | None | 93325 | 2 | Rat | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 537 | 3 | 1 | 5 | 3.4 | CCn1c(N2CCN(C(=O)[C@@H]3C[C@@H]4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)CC2)cccc1=O | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL254505 | 94500 | 0 | None | 93325 | 2 | Rat | 9.6 | pKd | = | 9.6 | Binding | ChEMBL | 537 | 3 | 1 | 5 | 3.4 | CCn1c(N2CCN(C(=O)[C@@H]3C[C@@H]4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)CC2)cccc1=O | 10.1016/j.bmcl.2007.12.030 | ||
| 2019 | 3605 | 0 | None | -4 | 10 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b02036 | ||||
| 44386062 | 3605 | 0 | None | -4 | 10 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b02036 | ||||
| CHEMBL440072 | 3605 | 0 | None | -4 | 10 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b02036 | ||||
| 44565159 | 193212 | 0 | None | 6 | 5 | Rat | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 497 | 7 | 0 | 7 | 4.5 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL540705 | 193212 | 0 | None | 6 | 5 | Rat | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 497 | 7 | 0 | 7 | 4.5 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44447073 | 94101 | 0 | None | 3 | 10 | Rat | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 534 | 2 | 1 | 6 | 3.8 | CN1C[C@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL251835 | 94101 | 0 | None | 3 | 10 | Rat | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 534 | 2 | 1 | 6 | 3.8 | CN1C[C@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44447076 | 94136 | 0 | None | 12302 | 2 | Rat | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 551 | 2 | 1 | 7 | 3.6 | CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL252033 | 94136 | 0 | None | 12302 | 2 | Rat | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 551 | 2 | 1 | 7 | 3.6 | CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44447048 | 154437 | 0 | None | 31622 | 2 | Rat | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 493 | 3 | 1 | 5 | 3.3 | CCn1c(N2CCN(C(=O)[C@@H]3C[C@@H]4c5cccc6[nH]c(Cl)c(c56)C[C@H]4N(C)C3)CC2)cccc1=O | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL401309 | 154437 | 0 | None | 31622 | 2 | Rat | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 493 | 3 | 1 | 5 | 3.3 | CCn1c(N2CCN(C(=O)[C@@H]3C[C@@H]4c5cccc6[nH]c(Cl)c(c56)C[C@H]4N(C)C3)CC2)cccc1=O | 10.1016/j.bmcl.2007.12.030 | ||
| 44447045 | 94497 | 0 | None | 125892 | 2 | Rat | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 479 | 2 | 1 | 5 | 2.8 | CN1C[C@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL254499 | 94497 | 0 | None | 125892 | 2 | Rat | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 479 | 2 | 1 | 5 | 2.8 | CN1C[C@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44447071 | 153578 | 0 | None | 13182 | 2 | Rat | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 490 | 2 | 1 | 6 | 3.7 | CN1C[C@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL398526 | 153578 | 0 | None | 13182 | 2 | Rat | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 490 | 2 | 1 | 6 | 3.7 | CN1C[C@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44441673 | 94085 | 0 | None | 9772 | 2 | Rat | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 596 | 4 | 0 | 10 | 2.7 | CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2Cc3c(cccc3OS(=O)(=O)C(F)(F)F)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL251754 | 94085 | 0 | None | 9772 | 2 | Rat | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 596 | 4 | 0 | 10 | 2.7 | CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2Cc3c(cccc3OS(=O)(=O)C(F)(F)F)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | ||
| 44441665 | 168556 | 0 | None | 9120 | 2 | Rat | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 528 | 5 | 0 | 8 | 2.3 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(cccc3OS(C)(=O)=O)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL440236 | 168556 | 0 | None | 9120 | 2 | Rat | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 528 | 5 | 0 | 8 | 2.3 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(cccc3OS(C)(=O)=O)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | ||
| 44447038 | 94222 | 0 | None | 16595 | 2 | Rat | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 528 | 2 | 1 | 3 | 4.5 | CN1C[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL252618 | 94222 | 0 | None | 16595 | 2 | Rat | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 528 | 2 | 1 | 3 | 4.5 | CN1C[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 10162564 | 12418 | 0 | None | 9 | 8 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 475 | 7 | 0 | 3 | 5.1 | CN(CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL1186652 | 12418 | 0 | None | 9 | 8 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 475 | 7 | 0 | 3 | 5.1 | CN(CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL473763 | 12418 | 0 | None | 9 | 8 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 475 | 7 | 0 | 3 | 5.1 | CN(CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44441672 | 94084 | 0 | None | 3311 | 2 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 618 | 5 | 0 | 10 | 3.5 | Cc1ccc(S(=O)(=O)Oc2cccc3c2C[C@H]2C[C@@H](C(=O)N4CCN(c5ccc6nsnc6n5)CC4)CN(C)[C@@H]2C3)cc1 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL251753 | 94084 | 0 | None | 3311 | 2 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 618 | 5 | 0 | 10 | 3.5 | Cc1ccc(S(=O)(=O)Oc2cccc3c2C[C@H]2C[C@@H](C(=O)N4CCN(c5ccc6nsnc6n5)CC4)CN(C)[C@@H]2C3)cc1 | 10.1016/j.bmcl.2007.04.086 | ||
| 44447069 | 94194 | 0 | None | 21379 | 2 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 484 | 2 | 1 | 3 | 4.4 | CN1C[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL252428 | 94194 | 0 | None | 21379 | 2 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 484 | 2 | 1 | 3 | 4.4 | CN1C[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44564783 | 176341 | 0 | None | 10 | 4 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 484 | 8 | 0 | 5 | 4.8 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL461988 | 176341 | 0 | None | 10 | 4 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 484 | 8 | 0 | 5 | 4.8 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 2030 | 3602 | 7 | None | 7 | 10 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] | 10.1016/j.bmcl.2007.04.078 | ||
| 5311377 | 3602 | 7 | None | 7 | 10 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL251541 | 3602 | 7 | None | 7 | 10 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] | 10.1016/j.bmcl.2007.04.078 | ||
| 2030 | 3602 | 7 | None | 7 | 10 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] | 10.1016/j.bmcl.2007.04.086 | ||
| 5311377 | 3602 | 7 | None | 7 | 10 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL251541 | 3602 | 7 | None | 7 | 10 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] | 10.1016/j.bmcl.2007.04.086 | ||
| 44565112 | 12635 | 0 | None | 3 | 6 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 481 | 7 | 0 | 6 | 4.4 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL1187847 | 12635 | 0 | None | 3 | 6 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 481 | 7 | 0 | 6 | 4.4 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL523814 | 12635 | 0 | None | 3 | 6 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 481 | 7 | 0 | 6 | 4.4 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44447043 | 94469 | 0 | None | 10232 | 2 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 445 | 2 | 1 | 5 | 2.2 | CN1C[C@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL254288 | 94469 | 0 | None | 10232 | 2 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 445 | 2 | 1 | 5 | 2.2 | CN1C[C@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 17955460 | 176191 | 0 | None | 2 | 9 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 491 | 7 | 0 | 4 | 5.3 | CN(CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)CCC1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL460542 | 176191 | 0 | None | 2 | 9 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 491 | 7 | 0 | 4 | 5.3 | CN(CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)CCC1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44441661 | 94043 | 0 | None | 7079 | 2 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 492 | 5 | 0 | 6 | 3.8 | CC(C)Oc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL251542 | 94043 | 0 | None | 7079 | 2 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 492 | 5 | 0 | 6 | 3.8 | CC(C)Oc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | ||
| 44441678 | 93605 | 0 | None | 12022 | 2 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 506 | 4 | 0 | 9 | 2.3 | COc1ccc(C=O)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL248908 | 93605 | 0 | None | 12022 | 2 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 506 | 4 | 0 | 9 | 2.3 | COc1ccc(C=O)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | ||
| 44564746 | 176377 | 0 | None | 7585 | 2 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 500 | 8 | 0 | 6 | 4.9 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL462336 | 176377 | 0 | None | 7585 | 2 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 500 | 8 | 0 | 6 | 4.9 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44564815 | 189150 | 0 | None | 1905 | 2 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 498 | 9 | 0 | 5 | 5.2 | CCN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL515907 | 189150 | 0 | None | 1905 | 2 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 498 | 9 | 0 | 5 | 5.2 | CCN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44447042 | 94468 | 0 | None | 13489 | 2 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 542 | 3 | 1 | 3 | 4.9 | CCN1C[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL254287 | 94468 | 0 | None | 13489 | 2 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 542 | 3 | 1 | 3 | 4.9 | CCN1C[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44447074 | 94102 | 0 | None | 2951 | 2 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 473 | 2 | 1 | 7 | 2.9 | CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL251836 | 94102 | 0 | None | 2951 | 2 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 473 | 2 | 1 | 7 | 2.9 | CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44565114 | 12512 | 0 | None | - | 1 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 480 | 7 | 0 | 6 | 3.9 | CN(CCC(=O)N1CCN(c2ccc3nccn3n2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL1187144 | 12512 | 0 | None | - | 1 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 480 | 7 | 0 | 6 | 3.9 | CN(CCC(=O)N1CCN(c2ccc3nccn3n2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL491497 | 12512 | 0 | None | - | 1 | Rat | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 480 | 7 | 0 | 6 | 3.9 | CN(CCC(=O)N1CCN(c2ccc3nccn3n2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44441677 | 93604 | 0 | None | 5248 | 2 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 556 | 3 | 0 | 8 | 3.2 | COc1ccc(Br)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL248907 | 93604 | 0 | None | 5248 | 2 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 556 | 3 | 0 | 8 | 3.2 | COc1ccc(Br)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | ||
| 23656025 | 93647 | 0 | None | 8511 | 2 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 450 | 4 | 1 | 6 | 2.6 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL249113 | 93647 | 0 | None | 8511 | 2 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 450 | 4 | 1 | 6 | 2.6 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | ||
| 44441670 | 154095 | 0 | None | 3981 | 2 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 554 | 5 | 0 | 8 | 4.0 | CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2Cc3c(cccc3OCc3ccccc3)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL399464 | 154095 | 0 | None | 3981 | 2 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 554 | 5 | 0 | 8 | 4.0 | CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2Cc3c(cccc3OCc3ccccc3)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | ||
| 44447073 | 94101 | 0 | None | -3 | 10 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 534 | 2 | 1 | 6 | 3.8 | CN1C[C@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL251835 | 94101 | 0 | None | -3 | 10 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 534 | 2 | 1 | 6 | 3.8 | CN1C[C@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44441669 | 93567 | 0 | None | 4677 | 2 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 478 | 3 | 0 | 8 | 2.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL248715 | 93567 | 0 | None | 4677 | 2 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 478 | 3 | 0 | 8 | 2.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44441669 | 93567 | 0 | None | 4677 | 2 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 478 | 3 | 0 | 8 | 2.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL248715 | 93567 | 0 | None | 4677 | 2 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 478 | 3 | 0 | 8 | 2.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | ||
| 44447064 | 153824 | 0 | None | 7079 | 2 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 493 | 3 | 1 | 5 | 4.0 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL398712 | 153824 | 0 | None | 7079 | 2 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 493 | 3 | 1 | 5 | 4.0 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44441899 | 153789 | 0 | None | 8511 | 2 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL398681 | 153789 | 0 | None | 8511 | 2 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44441900 | 93851 | 0 | None | 5128 | 2 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL250498 | 93851 | 0 | None | 5128 | 2 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44447066 | 94163 | 0 | None | 5370 | 2 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 537 | 3 | 1 | 5 | 4.1 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL252229 | 94163 | 0 | None | 5370 | 2 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 537 | 3 | 1 | 5 | 4.1 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44441659 | 154130 | 0 | None | 7762 | 2 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 538 | 4 | 0 | 7 | 2.7 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2Cc3c(cccc3OS(=O)(=O)C(F)(F)F)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL399658 | 154130 | 0 | None | 7762 | 2 | Rat | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 538 | 4 | 0 | 7 | 2.7 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2Cc3c(cccc3OS(=O)(=O)C(F)(F)F)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | ||
| 44441666 | 154170 | 0 | None | 2290 | 2 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 582 | 5 | 0 | 8 | 3.2 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(cccc3OS(=O)(=O)C(F)(F)F)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL399843 | 154170 | 0 | None | 2290 | 2 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 582 | 5 | 0 | 8 | 3.2 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(cccc3OS(=O)(=O)C(F)(F)F)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | ||
| 17955460 | 176191 | 0 | None | -2 | 9 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 491 | 7 | 0 | 4 | 5.3 | CN(CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)CCC1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL460542 | 176191 | 0 | None | -2 | 9 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 491 | 7 | 0 | 4 | 5.3 | CN(CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)CCC1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44564859 | 12600 | 0 | None | - | 1 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 473 | 7 | 0 | 3 | 5.5 | CN(CCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL1187680 | 12600 | 0 | None | - | 1 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 473 | 7 | 0 | 3 | 5.5 | CN(CCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL515113 | 12600 | 0 | None | - | 1 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 473 | 7 | 0 | 3 | 5.5 | CN(CCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44441884 | 93944 | 0 | None | 2041 | 2 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 461 | 3 | 0 | 7 | 2.6 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nonc5c4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL250922 | 93944 | 0 | None | 2041 | 2 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 461 | 3 | 0 | 7 | 2.6 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nonc5c4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 9849682 | 94498 | 0 | None | -8 | 10 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 523 | 2 | 1 | 5 | 2.9 | CN1C[C@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL254500 | 94498 | 0 | None | -8 | 10 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 523 | 2 | 1 | 5 | 2.9 | CN1C[C@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44441919 | 154220 | 0 | None | 3019 | 2 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 542 | 5 | 0 | 8 | 2.4 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4S(C)(=O)=O)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL400137 | 154220 | 0 | None | 3019 | 2 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 542 | 5 | 0 | 8 | 2.4 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4S(C)(=O)=O)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44564907 | 12410 | 0 | None | - | 1 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 507 | 7 | 0 | 3 | 6.2 | CN(CCC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL1186613 | 12410 | 0 | None | - | 1 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 507 | 7 | 0 | 3 | 6.2 | CN(CCC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL472751 | 12410 | 0 | None | - | 1 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 507 | 7 | 0 | 3 | 6.2 | CN(CCC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44565010 | 12514 | 0 | None | - | 1 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 457 | 7 | 0 | 3 | 5.0 | CN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL1187146 | 12514 | 0 | None | - | 1 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 457 | 7 | 0 | 3 | 5.0 | CN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL491507 | 12514 | 0 | None | - | 1 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 457 | 7 | 0 | 3 | 5.0 | CN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44441897 | 93775 | 0 | None | 3715 | 2 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 444 | 3 | 0 | 5 | 3.0 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccccc4C#N)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL249930 | 93775 | 0 | None | 3715 | 2 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 444 | 3 | 0 | 5 | 3.0 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccccc4C#N)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 2030 | 3602 | 7 | None | -13 | 10 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] | 10.1016/j.bmcl.2007.04.086 | ||
| 5311377 | 3602 | 7 | None | -13 | 10 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL251541 | 3602 | 7 | None | -13 | 10 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] | 10.1016/j.bmcl.2007.04.086 | ||
| 44441886 | 154212 | 0 | None | 398 | 2 | Rat | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 477 | 3 | 0 | 7 | 3.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5c4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL400099 | 154212 | 0 | None | 398 | 2 | Rat | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 477 | 3 | 0 | 7 | 3.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5c4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 46880580 | 5457 | 0 | None | -346 | 2 | Human | 6.0 | pKd | = | 6 | Binding | ChEMBL | 620 | 9 | 0 | 9 | 4.4 | COC(=O)c1cc(CC(C)CN2CC3CCCCC3C(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)cc(C(=O)OC)c1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076657 | 5457 | 0 | None | -346 | 2 | Human | 6.0 | pKd | = | 6 | Binding | ChEMBL | 620 | 9 | 0 | 9 | 4.4 | COC(=O)c1cc(CC(C)CN2CC3CCCCC3C(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)cc(C(=O)OC)c1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL385409 | 210592 | 0 | None | -97 | 4 | Human | 6.0 | pKd | = | 6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm000361p | ||||
| CHEMBL437093 | 211947 | 0 | None | -16 | 5 | Human | 6.0 | pKd | = | 6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm000361p | ||||
| CHEMBL438471 | 212015 | 0 | None | -125 | 4 | Human | 6.0 | pKd | = | 6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm000361p | ||||
| 46880574 | 6005 | 0 | None | -1 | 2 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 494 | 7 | 0 | 7 | 3.6 | CC(Cc1ccc2c(c1)OCO2)CN1CCCC(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1080734 | 6005 | 0 | None | -1 | 2 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 494 | 7 | 0 | 7 | 3.6 | CC(Cc1ccc2c(c1)OCO2)CN1CCCC(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | ||
| 44441871 | 93821 | 0 | None | 190 | 2 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 488 | 3 | 0 | 5 | 3.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL250313 | 93821 | 0 | None | 190 | 2 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 488 | 3 | 0 | 5 | 3.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44441873 | 93978 | 0 | None | 63 | 2 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 526 | 6 | 0 | 6 | 4.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(OCc5ccccc5)n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL251116 | 93978 | 0 | None | 63 | 2 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 526 | 6 | 0 | 6 | 4.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(OCc5ccccc5)n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44441932 | 94012 | 0 | None | 4 | 2 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 343 | 2 | 1 | 4 | 1.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCNCC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL251301 | 94012 | 0 | None | 4 | 2 | Rat | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 343 | 2 | 1 | 4 | 1.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCNCC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44441918 | 166307 | 0 | None | 44 | 2 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 532 | 4 | 0 | 6 | 4.0 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL428583 | 166307 | 0 | None | 44 | 2 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 532 | 4 | 0 | 6 | 4.0 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44564703 | 189893 | 0 | None | 446 | 2 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 510 | 8 | 0 | 5 | 5.3 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2C=Cc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL517921 | 189893 | 0 | None | 446 | 2 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 510 | 8 | 0 | 5 | 5.3 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2C=Cc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44447029 | 170452 | 0 | None | - | 1 | Rat | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 535 | 5 | 1 | 4 | 4.8 | CCCCN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL445673 | 170452 | 0 | None | - | 1 | Rat | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 535 | 5 | 1 | 4 | 4.8 | CCCCN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 46865536 | 11799 | 0 | None | -151 | 7 | Rat | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 553 | 6 | 0 | 6 | 5.2 | C[C@@H](Cc1ccc2nsnc2c1)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076623 | 11799 | 0 | None | -151 | 7 | Rat | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 553 | 6 | 0 | 6 | 5.2 | C[C@@H](Cc1ccc2nsnc2c1)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1182658 | 11799 | 0 | None | -151 | 7 | Rat | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 553 | 6 | 0 | 6 | 5.2 | C[C@@H](Cc1ccc2nsnc2c1)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | ||
| 44564745 | 176376 | 0 | None | 478 | 2 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 516 | 8 | 0 | 6 | 5.3 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL462335 | 176376 | 0 | None | 478 | 2 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 516 | 8 | 0 | 6 | 5.3 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44447009 | 94317 | 0 | None | - | 1 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 449 | 2 | 1 | 4 | 3.5 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL253234 | 94317 | 0 | None | - | 1 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 449 | 2 | 1 | 4 | 3.5 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 46880573 | 6004 | 0 | None | -1 | 2 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 510 | 6 | 0 | 5 | 5.2 | O=C(C1CCCN(CCC2c3ccccc3-c3ccccc32)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1080733 | 6004 | 0 | None | -1 | 2 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 510 | 6 | 0 | 5 | 5.2 | O=C(C1CCCN(CCC2c3ccccc3-c3ccccc32)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL407209 | 210890 | 1 | None | -1949 | 4 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm000361p | ||||
| CHEMBL384836 | 210580 | 0 | None | -74 | 5 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1C)C(N)=O | 10.1021/jm000361p | ||||
| 44564814 | 179447 | 0 | None | 602 | 2 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 486 | 10 | 0 | 5 | 4.8 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL474752 | 179447 | 0 | None | 602 | 2 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 486 | 10 | 0 | 5 | 4.8 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.01.072 | ||
| 44441680 | 93646 | 0 | None | 11 | 2 | Rat | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@@H]1C[C@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@H]1C2 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL249112 | 93646 | 0 | None | 11 | 2 | Rat | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@@H]1C[C@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@H]1C2 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL2370166 | 208050 | 0 | None | -977 | 5 | Human | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | None | None | None | C[C@@H](c1ccccc1)N1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C1=O | 10.1021/jm970393l | ||||
| 46865535 | 5449 | 0 | None | -407 | 7 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 550 | 6 | 0 | 5 | 5.7 | Cc1nc2cc(C[C@H](C)CN3C[C@@H](C(=O)N4CCN(c5ccc(F)c(F)c5)CC4)[C@H]4CCCC[C@H]4C3)ccc2o1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076622 | 5449 | 0 | None | -407 | 7 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 550 | 6 | 0 | 5 | 5.7 | Cc1nc2cc(C[C@H](C)CN3C[C@@H](C(=O)N4CCN(c5ccc(F)c(F)c5)CC4)[C@H]4CCCC[C@H]4C3)ccc2o1 | 10.1016/j.bmcl.2010.01.063 | ||
| 44447006 | 94315 | 0 | None | 1258 | 2 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 415 | 2 | 1 | 4 | 2.9 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL253232 | 94315 | 0 | None | 1258 | 2 | Rat | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 415 | 2 | 1 | 4 | 2.9 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44447034 | 154207 | 0 | None | - | 1 | Rat | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 537 | 5 | 1 | 5 | 3.7 | COCCN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL400066 | 154207 | 0 | None | - | 1 | Rat | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 537 | 5 | 1 | 5 | 3.7 | COCCN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44441667 | 154390 | 0 | None | 457 | 2 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 459 | 3 | 0 | 6 | 2.9 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(C#N)cccc3C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL401091 | 154390 | 0 | None | 457 | 2 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 459 | 3 | 0 | 6 | 2.9 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(C#N)cccc3C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | ||
| 44441906 | 93902 | 0 | None | 57 | 2 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 461 | 4 | 0 | 5 | 3.3 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL250705 | 93902 | 0 | None | 57 | 2 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 461 | 4 | 0 | 5 | 3.3 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44441909 | 93773 | 0 | None | 10 | 2 | Rat | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 462 | 4 | 1 | 5 | 2.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL249892 | 93773 | 0 | None | 10 | 2 | Rat | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 462 | 4 | 1 | 5 | 2.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 46865536 | 11799 | 0 | None | -199 | 7 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 553 | 6 | 0 | 6 | 5.2 | C[C@@H](Cc1ccc2nsnc2c1)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076623 | 11799 | 0 | None | -199 | 7 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 553 | 6 | 0 | 6 | 5.2 | C[C@@H](Cc1ccc2nsnc2c1)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1182658 | 11799 | 0 | None | -199 | 7 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 553 | 6 | 0 | 6 | 5.2 | C[C@@H](Cc1ccc2nsnc2c1)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | ||
| 44441660 | 94016 | 0 | None | 204 | 2 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 390 | 2 | 0 | 4 | 2.5 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2Cc3ccccc3C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL251335 | 94016 | 0 | None | 204 | 2 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 390 | 2 | 0 | 4 | 2.5 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2Cc3ccccc3C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | ||
| 44447014 | 94375 | 0 | None | 338 | 2 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 541 | 2 | 1 | 4 | 3.5 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(I)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL253653 | 94375 | 0 | None | 338 | 2 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 541 | 2 | 1 | 4 | 3.5 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(I)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44441908 | 93939 | 0 | None | 91 | 2 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 477 | 4 | 0 | 6 | 2.9 | COC(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4Cc5c(cccc5OC)C[C@H]4N(C)C3)CC2)cc1 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL250900 | 93939 | 0 | None | 91 | 2 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 477 | 4 | 0 | 6 | 2.9 | COC(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4Cc5c(cccc5OC)C[C@H]4N(C)C3)CC2)cc1 | 10.1016/j.bmcl.2007.04.078 | ||
| 46880853 | 5475 | 0 | None | -147 | 2 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 536 | 6 | 0 | 5 | 5.4 | C[C@@H](Cc1ccc2ocnc2c1)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076718 | 5475 | 0 | None | -147 | 2 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 536 | 6 | 0 | 5 | 5.4 | C[C@@H](Cc1ccc2ocnc2c1)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | ||
| 44447026 | 94131 | 0 | None | 46 | 2 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 479 | 2 | 2 | 4 | 3.3 | O=C([C@H]1CN[C@@H]2Cc3c(Br)[nH]c4cccc(c34)[C@H]2C1)N1CCN(c2ccccn2)CC1 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL252002 | 94131 | 0 | None | 46 | 2 | Rat | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 479 | 2 | 2 | 4 | 3.3 | O=C([C@H]1CN[C@@H]2Cc3c(Br)[nH]c4cccc(c34)[C@H]2C1)N1CCN(c2ccccn2)CC1 | 10.1016/j.bmcl.2007.12.030 | ||
| 44441910 | 93774 | 0 | None | 11 | 2 | Rat | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 518 | 6 | 0 | 5 | 3.6 | CCN(CC)C(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4Cc5c(cccc5OC)C[C@H]4N(C)C3)CC2)cc1 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL249893 | 93774 | 0 | None | 11 | 2 | Rat | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 518 | 6 | 0 | 5 | 3.6 | CCN(CC)C(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4Cc5c(cccc5OC)C[C@H]4N(C)C3)CC2)cc1 | 10.1016/j.bmcl.2007.04.078 | ||
| 44441658 | 94015 | 0 | None | 588 | 2 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 420 | 3 | 0 | 5 | 2.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccccn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL251334 | 94015 | 0 | None | 588 | 2 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 420 | 3 | 0 | 5 | 2.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccccn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44441658 | 94015 | 0 | None | 588 | 2 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 420 | 3 | 0 | 5 | 2.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccccn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL251334 | 94015 | 0 | None | 588 | 2 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 420 | 3 | 0 | 5 | 2.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccccn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | ||
| 44564903 | 12428 | 0 | None | - | 1 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 473 | 7 | 0 | 3 | 5.5 | CN(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL1186691 | 12428 | 0 | None | - | 1 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 473 | 7 | 0 | 3 | 5.5 | CN(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL474745 | 12428 | 0 | None | - | 1 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 473 | 7 | 0 | 3 | 5.5 | CN(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44441890 | 94013 | 0 | None | 1047 | 2 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 437 | 3 | 0 | 4 | 3.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL251311 | 94013 | 0 | None | 1047 | 2 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 437 | 3 | 0 | 4 | 3.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44447032 | 94412 | 0 | None | - | 1 | Rat | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 549 | 5 | 1 | 4 | 5.1 | CC(C)CCN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL253880 | 94412 | 0 | None | - | 1 | Rat | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 549 | 5 | 1 | 4 | 5.1 | CC(C)CCN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44564702 | 189266 | 0 | None | 190 | 2 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 512 | 8 | 0 | 5 | 4.9 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2CCc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL516837 | 189266 | 0 | None | 190 | 2 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 512 | 8 | 0 | 5 | 4.9 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2CCc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44441662 | 94044 | 0 | None | 416 | 2 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 450 | 3 | 1 | 6 | 2.7 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL251543 | 94044 | 0 | None | 416 | 2 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 450 | 3 | 1 | 6 | 2.7 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(O)cccc3C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | ||
| 44447078 | 94167 | 0 | None | 2 | 7 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 534 | 2 | 1 | 6 | 3.8 | CN1C[C@@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C[C@H]2c3cccc4[nH]c(Br)c(c34)C[C@@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL252232 | 94167 | 0 | None | 2 | 7 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 534 | 2 | 1 | 6 | 3.8 | CN1C[C@@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C[C@H]2c3cccc4[nH]c(Br)c(c34)C[C@@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44441867 | 93797 | 0 | None | 9 | 2 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 420 | 3 | 0 | 5 | 2.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccncc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL250111 | 93797 | 0 | None | 9 | 2 | Rat | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 420 | 3 | 0 | 5 | 2.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccncc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44447052 | 154400 | 0 | None | 112 | 2 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 448 | 2 | 1 | 3 | 4.1 | CN1C[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL401130 | 154400 | 0 | None | 112 | 2 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 448 | 2 | 1 | 3 | 4.1 | CN1C[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 46880856 | 5471 | 0 | None | -66 | 2 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 539 | 8 | 1 | 5 | 5.1 | CCNc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076711 | 5471 | 0 | None | -66 | 2 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 539 | 8 | 1 | 5 | 5.1 | CCNc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| 44447077 | 94166 | 0 | None | -4 | 7 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 523 | 2 | 1 | 5 | 2.9 | CN1C[C@@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@H]2c3cccc4[nH]c(Br)c(c34)C[C@@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL252231 | 94166 | 0 | None | -4 | 7 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 523 | 2 | 1 | 5 | 2.9 | CN1C[C@@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@H]2c3cccc4[nH]c(Br)c(c34)C[C@@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44565159 | 193212 | 0 | None | -6 | 5 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 497 | 7 | 0 | 7 | 4.5 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL540705 | 193212 | 0 | None | -6 | 5 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 497 | 7 | 0 | 7 | 4.5 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44565064 | 12509 | 0 | None | - | 1 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 470 | 7 | 0 | 5 | 3.6 | CN(CCC(=O)N1CCN(c2cccc(=O)n2C)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL1187127 | 12509 | 0 | None | - | 1 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 470 | 7 | 0 | 5 | 3.6 | CN(CCC(=O)N1CCN(c2cccc(=O)n2C)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL491144 | 12509 | 0 | None | - | 1 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 470 | 7 | 0 | 5 | 3.6 | CN(CCC(=O)N1CCN(c2cccc(=O)n2C)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44447019 | 94411 | 0 | None | 3548 | 2 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 461 | 3 | 1 | 5 | 3.6 | CSc1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3C[C@@H](C(=O)N2CCN(c3ccccn3)CC2)CN1C | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL253879 | 94411 | 0 | None | 3548 | 2 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 461 | 3 | 1 | 5 | 3.6 | CSc1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3C[C@@H](C(=O)N2CCN(c3ccccn3)CC2)CN1C | 10.1016/j.bmcl.2007.12.030 | ||
| 44565112 | 12635 | 0 | None | -3 | 6 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 481 | 7 | 0 | 6 | 4.4 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL1187847 | 12635 | 0 | None | -3 | 6 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 481 | 7 | 0 | 6 | 4.4 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL523814 | 12635 | 0 | None | -3 | 6 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 481 | 7 | 0 | 6 | 4.4 | CN(CCC(=O)N1CCN(c2ccc3nonc3c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44441885 | 93979 | 0 | None | 3630 | 2 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 477 | 3 | 0 | 7 | 3.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc5nsnc45)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL251120 | 93979 | 0 | None | 3630 | 2 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 477 | 3 | 0 | 7 | 3.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc5nsnc45)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 23656026 | 93817 | 0 | None | -3 | 2 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 455 | 3 | 0 | 4 | 3.4 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL250304 | 93817 | 0 | None | -3 | 2 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 455 | 3 | 0 | 4 | 3.4 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44441916 | 154219 | 0 | None | 5888 | 2 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 462 | 3 | 0 | 5 | 3.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(F)c4C#N)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL400136 | 154219 | 0 | None | 5888 | 2 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 462 | 3 | 0 | 5 | 3.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(F)c4C#N)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 9871544 | 14086 | 1 | None | -416 | 11 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076624 | 14086 | 1 | None | -416 | 11 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1198948 | 14086 | 1 | None | -416 | 11 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| 44441921 | 93903 | 0 | None | 165 | 2 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 434 | 3 | 0 | 5 | 2.9 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCCN(c4ccccn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL250713 | 93903 | 0 | None | 165 | 2 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 434 | 3 | 0 | 5 | 2.9 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCCN(c4ccccn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44565068 | 12624 | 0 | None | - | 1 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 440 | 7 | 0 | 4 | 4.3 | CN(CCC(=O)N1CCN(c2ccncc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL1187808 | 12624 | 0 | None | - | 1 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 440 | 7 | 0 | 4 | 4.3 | CN(CCC(=O)N1CCN(c2ccncc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL522135 | 12624 | 0 | None | - | 1 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 440 | 7 | 0 | 4 | 4.3 | CN(CCC(=O)N1CCN(c2ccncc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44441902 | 154324 | 0 | None | 562 | 2 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 487 | 3 | 0 | 4 | 4.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL400709 | 154324 | 0 | None | 562 | 2 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 487 | 3 | 0 | 4 | 4.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44564905 | 12409 | 0 | None | - | 1 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 473 | 7 | 0 | 3 | 5.5 | CN(CCC(=O)N1CCN(c2ccccc2Cl)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL1186612 | 12409 | 0 | None | - | 1 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 473 | 7 | 0 | 3 | 5.5 | CN(CCC(=O)N1CCN(c2ccccc2Cl)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL472750 | 12409 | 0 | None | - | 1 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 473 | 7 | 0 | 3 | 5.5 | CN(CCC(=O)N1CCN(c2ccccc2Cl)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 46880581 | 5458 | 0 | None | -21 | 2 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 620 | 9 | 0 | 9 | 4.4 | COC(=O)c1cc(CC(C)CN2C[C@H]3CCCC[C@H]3[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)cc(C(=O)OC)c1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076658 | 5458 | 0 | None | -21 | 2 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 620 | 9 | 0 | 9 | 4.4 | COC(=O)c1cc(CC(C)CN2C[C@H]3CCCC[C@H]3[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)cc(C(=O)OC)c1 | 10.1016/j.bmcl.2010.01.063 | ||
| 46880855 | 5470 | 0 | None | -165 | 2 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 540 | 8 | 0 | 5 | 5.0 | CCOc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076710 | 5470 | 0 | None | -165 | 2 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 540 | 8 | 0 | 5 | 5.0 | CCOc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| 44447037 | 94221 | 0 | None | - | 1 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 537 | 5 | 2 | 5 | 3.4 | O=C([C@@H]1C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(CCCO)C1)N1CCN(c2ccccn2)CC1 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL252617 | 94221 | 0 | None | - | 1 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 537 | 5 | 2 | 5 | 3.4 | O=C([C@@H]1C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(CCCO)C1)N1CCN(c2ccccn2)CC1 | 10.1016/j.bmcl.2007.12.030 | ||
| 44447016 | 94376 | 0 | None | 35 | 2 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 431 | 2 | 2 | 5 | 2.6 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(O)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL253654 | 94376 | 0 | None | 35 | 2 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 431 | 2 | 2 | 5 | 2.6 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(O)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 46880576 | 5453 | 0 | None | -1 | 2 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 548 | 7 | 0 | 7 | 4.7 | CC(Cc1ccc2c(c1)OCO2)CN1C[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076653 | 5453 | 0 | None | -1 | 2 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 548 | 7 | 0 | 7 | 4.7 | CC(Cc1ccc2c(c1)OCO2)CN1C[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmcl.2010.01.063 | ||
| 44441663 | 94042 | 0 | None | 660 | 2 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 534 | 4 | 0 | 7 | 3.9 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(cccc3OC(=O)C(C)(C)C)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL251529 | 94042 | 0 | None | 660 | 2 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 534 | 4 | 0 | 7 | 3.9 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(cccc3OC(=O)C(C)(C)C)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | ||
| 44441923 | 93904 | 0 | None | 85 | 2 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 478 | 4 | 0 | 6 | 3.4 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL250715 | 93904 | 0 | None | 85 | 2 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 478 | 4 | 0 | 6 | 3.4 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 20597810 | 5469 | 0 | None | -245 | 2 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 547 | 6 | 0 | 5 | 5.2 | C[C@@H](Cc1ccc2nccnc2c1)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076709 | 5469 | 0 | None | -245 | 2 | Human | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 547 | 6 | 0 | 5 | 5.2 | C[C@@H](Cc1ccc2nccnc2c1)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | ||
| 44447023 | 94096 | 0 | None | 6 | 2 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 477 | 3 | 1 | 5 | 2.6 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c([S+](C)[O-])c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL251801 | 94096 | 0 | None | 6 | 2 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 477 | 3 | 1 | 5 | 2.6 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c([S+](C)[O-])c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44441879 | 93907 | 0 | None | 75 | 2 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 470 | 3 | 0 | 5 | 3.6 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5ccccc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL250724 | 93907 | 0 | None | 75 | 2 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 470 | 3 | 0 | 5 | 3.6 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5ccccc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44564786 | 176232 | 0 | None | 60 | 2 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 446 | 8 | 0 | 5 | 4.0 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCc1ccc2ccccc2c1 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL460934 | 176232 | 0 | None | 60 | 2 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 446 | 8 | 0 | 5 | 4.0 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCc1ccc2ccccc2c1 | 10.1016/j.bmcl.2009.01.072 | ||
| 44441903 | 93900 | 0 | None | 18 | 2 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 487 | 3 | 0 | 4 | 4.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(F)(F)F)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL250703 | 93900 | 0 | None | 18 | 2 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 487 | 3 | 0 | 4 | 4.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(F)(F)F)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44441880 | 168650 | 0 | None | 19 | 2 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 470 | 3 | 0 | 5 | 3.6 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cc5ccccc5cn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL440962 | 168650 | 0 | None | 19 | 2 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 470 | 3 | 0 | 5 | 3.6 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cc5ccccc5cn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44564744 | 176359 | 0 | None | 630 | 2 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 498 | 8 | 0 | 5 | 4.7 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2Cc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL462159 | 176359 | 0 | None | 630 | 2 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 498 | 8 | 0 | 5 | 4.7 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2Cc2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44441917 | 93818 | 0 | None | 1348 | 2 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 489 | 4 | 0 | 7 | 2.9 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4C#N)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL250305 | 93818 | 0 | None | 1348 | 2 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 489 | 4 | 0 | 7 | 2.9 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4C#N)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44564949 | 12417 | 0 | None | - | 1 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 475 | 7 | 0 | 3 | 5.1 | CN(CCC(=O)N1CCN(c2ccc(F)cc2F)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL1186651 | 12417 | 0 | None | - | 1 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 475 | 7 | 0 | 3 | 5.1 | CN(CCC(=O)N1CCN(c2ccc(F)cc2F)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL473762 | 12417 | 0 | None | - | 1 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 475 | 7 | 0 | 3 | 5.1 | CN(CCC(=O)N1CCN(c2ccc(F)cc2F)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44441893 | 93746 | 0 | None | 6456 | 2 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 437 | 3 | 0 | 4 | 3.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(F)c4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL249723 | 93746 | 0 | None | 6456 | 2 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 437 | 3 | 0 | 4 | 3.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(F)c4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44441894 | 154360 | 0 | None | 7762 | 2 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 437 | 3 | 0 | 4 | 3.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL400907 | 154360 | 0 | None | 7762 | 2 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 437 | 3 | 0 | 4 | 3.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44441870 | 168554 | 0 | None | 2884 | 2 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 445 | 3 | 0 | 6 | 2.3 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL440233 | 168554 | 0 | None | 2884 | 2 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 445 | 3 | 0 | 6 | 2.3 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44441674 | 154068 | 0 | None | 3890 | 2 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 498 | 4 | 0 | 6 | 3.6 | COc1ccc(Cl)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL399267 | 154068 | 0 | None | 3890 | 2 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 498 | 4 | 0 | 6 | 3.6 | COc1ccc(Cl)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | ||
| 44564909 | 12411 | 0 | None | - | 1 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 457 | 7 | 0 | 3 | 5.0 | CN(CCC(=O)N1CCN(c2cccc(F)c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL1186614 | 12411 | 0 | None | - | 1 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 457 | 7 | 0 | 3 | 5.0 | CN(CCC(=O)N1CCN(c2cccc(F)c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL472752 | 12411 | 0 | None | - | 1 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 457 | 7 | 0 | 3 | 5.0 | CN(CCC(=O)N1CCN(c2cccc(F)c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44441883 | 93943 | 0 | None | 999 | 2 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 461 | 3 | 0 | 7 | 2.6 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc5nonc45)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL250921 | 93943 | 0 | None | 999 | 2 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 461 | 3 | 0 | 7 | 2.6 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc5nonc45)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44447062 | 94132 | 0 | None | 812 | 2 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 459 | 3 | 1 | 5 | 3.4 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL252029 | 94132 | 0 | None | 812 | 2 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 459 | 3 | 1 | 5 | 3.4 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44441926 | 93941 | 0 | None | 77 | 2 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 417 | 3 | 0 | 4 | 3.4 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CC=C(c4ccccn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL250914 | 93941 | 0 | None | 77 | 2 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 417 | 3 | 0 | 4 | 3.4 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CC=C(c4ccccn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44447025 | 154396 | 0 | None | 25 | 2 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 493 | 3 | 1 | 6 | 2.3 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(S(C)(=O)=O)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL401108 | 154396 | 0 | None | 25 | 2 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 493 | 3 | 1 | 6 | 2.3 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(S(C)(=O)=O)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44564952 | 12395 | 0 | None | - | 1 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 507 | 7 | 0 | 3 | 5.9 | CN(CCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL1186578 | 12395 | 0 | None | - | 1 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 507 | 7 | 0 | 3 | 5.9 | CN(CCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL470500 | 12395 | 0 | None | - | 1 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 507 | 7 | 0 | 3 | 5.9 | CN(CCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 155544425 | 172800 | 0 | None | -14125 | 5 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 1785 | 27 | 15 | 26 | 3.3 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O)[C@@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 | 10.1021/acs.jmedchem.8b02036 | ||
| CHEMBL4527856 | 172800 | 0 | None | -14125 | 5 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 1785 | 27 | 15 | 26 | 3.3 | COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O)[C@@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 | 10.1021/acs.jmedchem.8b02036 | ||
| CHEMBL407571 | 210912 | 0 | None | -309 | 4 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | None | None | None | CN[C@H](Cc1ccccc1)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm000361p | ||||
| 44564784 | 176357 | 0 | None | 43 | 2 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 485 | 8 | 0 | 6 | 4.4 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCn1c2ccccc2c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL462157 | 176357 | 0 | None | 43 | 2 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 485 | 8 | 0 | 6 | 4.4 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCn1c2ccccc2c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44441679 | 93645 | 0 | None | 83 | 2 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 520 | 4 | 0 | 9 | 2.7 | COc1ccc(C(C)=O)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL249111 | 93645 | 0 | None | 83 | 2 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 520 | 4 | 0 | 9 | 2.7 | COc1ccc(C(C)=O)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | ||
| 44441882 | 93942 | 0 | None | 19 | 2 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 472 | 3 | 0 | 7 | 2.4 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cc5nccnc5cn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL250920 | 93942 | 0 | None | 19 | 2 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 472 | 3 | 0 | 7 | 2.4 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cc5nccnc5cn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL2370167 | 208051 | 0 | None | -1621 | 5 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN([C@H](C)c2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm970393l | ||||
| CHEMBL405421 | 210803 | 0 | None | -363 | 4 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](N(C)C(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm000361p | ||||
| 46880590 | 5450 | 0 | None | 2 | 2 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 549 | 6 | 0 | 5 | 5.2 | Cc1cn2cc(C[C@H](C)CN3C[C@@H](C(=O)N4CCN(c5ccc(F)c(F)c5)CC4)[C@H]4CCCC[C@H]4C3)ccc2n1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076627 | 5450 | 0 | None | 2 | 2 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 549 | 6 | 0 | 5 | 5.2 | Cc1cn2cc(C[C@H](C)CN3C[C@@H](C(=O)N4CCN(c5ccc(F)c(F)c5)CC4)[C@H]4CCCC[C@H]4C3)ccc2n1 | 10.1016/j.bmcl.2010.01.063 | ||
| 46880582 | 5459 | 0 | None | -295 | 2 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 620 | 9 | 0 | 9 | 4.4 | COC(=O)c1cc(CC(C)CN2C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@H]3CCCC[C@H]3C2)cc(C(=O)OC)c1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076659 | 5459 | 0 | None | -295 | 2 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 620 | 9 | 0 | 9 | 4.4 | COC(=O)c1cc(CC(C)CN2C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@H]3CCCC[C@H]3C2)cc(C(=O)OC)c1 | 10.1016/j.bmcl.2010.01.063 | ||
| 44447058 | 154401 | 0 | None | 1412 | 2 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 482 | 2 | 1 | 3 | 4.8 | CN1C[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL401131 | 154401 | 0 | None | 1412 | 2 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 482 | 2 | 1 | 3 | 4.8 | CN1C[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C[C@@H]2c3cccc4[nH]c(Cl)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44447011 | 94344 | 0 | None | 3715 | 2 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 493 | 2 | 1 | 4 | 3.6 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL253438 | 94344 | 0 | None | 3715 | 2 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 493 | 2 | 1 | 4 | 3.6 | CN1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44565116 | 12513 | 0 | None | - | 1 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 483 | 7 | 0 | 5 | 4.6 | CN(CCC(=O)N1CCN(c2ccc3c(c2)OCO3)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL1187145 | 12513 | 0 | None | - | 1 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 483 | 7 | 0 | 5 | 4.6 | CN(CCC(=O)N1CCN(c2ccc3c(c2)OCO3)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL491498 | 12513 | 0 | None | - | 1 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 483 | 7 | 0 | 5 | 4.6 | CN(CCC(=O)N1CCN(c2ccc3c(c2)OCO3)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44565012 | 12515 | 0 | None | - | 1 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 464 | 7 | 0 | 4 | 4.7 | CN(CCC(=O)N1CCN(c2ccccc2C#N)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL1187147 | 12515 | 0 | None | - | 1 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 464 | 7 | 0 | 4 | 4.7 | CN(CCC(=O)N1CCN(c2ccccc2C#N)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL491508 | 12515 | 0 | None | - | 1 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 464 | 7 | 0 | 4 | 4.7 | CN(CCC(=O)N1CCN(c2ccccc2C#N)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44441675 | 93568 | 0 | None | 1995 | 2 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 542 | 4 | 0 | 6 | 3.8 | COc1ccc(Br)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL248716 | 93568 | 0 | None | 1995 | 2 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 542 | 4 | 0 | 6 | 3.8 | COc1ccc(Br)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | ||
| 44564816 | 188912 | 0 | None | 194 | 2 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 512 | 9 | 0 | 5 | 5.5 | CC(C)N(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL514027 | 188912 | 0 | None | 194 | 2 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 512 | 9 | 0 | 5 | 5.5 | CC(C)N(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44441664 | 94082 | 0 | None | 3235 | 2 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 550 | 4 | 0 | 8 | 4.3 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(cccc3OC(=O)OC(C)(C)C)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL251751 | 94082 | 0 | None | 3235 | 2 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 550 | 4 | 0 | 8 | 4.3 | CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(cccc3OC(=O)OC(C)(C)C)C[C@H]21 | 10.1016/j.bmcl.2007.04.086 | ||
| 44447077 | 94166 | 0 | None | 4 | 7 | Rat | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 523 | 2 | 1 | 5 | 2.9 | CN1C[C@@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@H]2c3cccc4[nH]c(Br)c(c34)C[C@@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL252231 | 94166 | 0 | None | 4 | 7 | Rat | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 523 | 2 | 1 | 5 | 2.9 | CN1C[C@@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C[C@H]2c3cccc4[nH]c(Br)c(c34)C[C@@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 46880583 | 5447 | 0 | None | -194 | 2 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 620 | 9 | 0 | 9 | 4.4 | COC(=O)c1cc(C[C@@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@H]3CCCC[C@H]3C2)cc(C(=O)OC)c1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076620 | 5447 | 0 | None | -194 | 2 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 620 | 9 | 0 | 9 | 4.4 | COC(=O)c1cc(C[C@@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@H]3CCCC[C@H]3C2)cc(C(=O)OC)c1 | 10.1016/j.bmcl.2010.01.063 | ||
| 44564857 | 178350 | 0 | None | 1 | 4 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 524 | 10 | 0 | 5 | 5.5 | O=C(CCN(CCC1c2ccccc2-c2ccccc21)CC1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL470331 | 178350 | 0 | None | 1 | 4 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 524 | 10 | 0 | 5 | 5.5 | O=C(CCN(CCC1c2ccccc2-c2ccccc21)CC1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/j.bmcl.2009.01.072 | ||
| 46865535 | 5449 | 0 | None | -134 | 7 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 550 | 6 | 0 | 5 | 5.7 | Cc1nc2cc(C[C@H](C)CN3C[C@@H](C(=O)N4CCN(c5ccc(F)c(F)c5)CC4)[C@H]4CCCC[C@H]4C3)ccc2o1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076622 | 5449 | 0 | None | -134 | 7 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 550 | 6 | 0 | 5 | 5.7 | Cc1nc2cc(C[C@H](C)CN3C[C@@H](C(=O)N4CCN(c5ccc(F)c(F)c5)CC4)[C@H]4CCCC[C@H]4C3)ccc2o1 | 10.1016/j.bmcl.2010.01.063 | ||
| 44441931 | 154272 | 0 | None | 19 | 2 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 433 | 4 | 0 | 4 | 3.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL400386 | 154272 | 0 | None | 19 | 2 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 433 | 4 | 0 | 4 | 3.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL421362 | 211516 | 0 | None | -1258 | 5 | Human | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm970393l | ||||
| 44441869 | 154319 | 0 | None | 58 | 2 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 421 | 3 | 0 | 6 | 1.9 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ncccn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL400677 | 154319 | 0 | None | 58 | 2 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 421 | 3 | 0 | 6 | 1.9 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ncccn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 46880575 | 5452 | 0 | None | -3 | 2 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 548 | 7 | 0 | 7 | 4.7 | CC(Cc1ccc2c(c1)OCO2)CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076652 | 5452 | 0 | None | -3 | 2 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 548 | 7 | 0 | 7 | 4.7 | CC(Cc1ccc2c(c1)OCO2)CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmcl.2010.01.063 | ||
| 44441927 | 93976 | 0 | None | 4 | 2 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 418 | 3 | 0 | 5 | 2.8 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CC=C(c4ncccn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL251110 | 93976 | 0 | None | 4 | 2 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 418 | 3 | 0 | 5 | 2.8 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CC=C(c4ncccn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44441928 | 93977 | 0 | None | 4 | 2 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 474 | 3 | 1 | 5 | 3.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL251111 | 93977 | 0 | None | 4 | 2 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 474 | 3 | 1 | 5 | 3.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 10162564 | 12418 | 0 | None | -9 | 8 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 475 | 7 | 0 | 3 | 5.1 | CN(CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL1186652 | 12418 | 0 | None | -9 | 8 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 475 | 7 | 0 | 3 | 5.1 | CN(CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL473763 | 12418 | 0 | None | -9 | 8 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 475 | 7 | 0 | 3 | 5.1 | CN(CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44447060 | 193153 | 0 | None | 363 | 2 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 526 | 2 | 1 | 3 | 4.9 | CN1C[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL539415 | 193153 | 0 | None | 363 | 2 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 526 | 2 | 1 | 3 | 4.9 | CN1C[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44441881 | 153744 | 0 | None | 2454 | 2 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 472 | 3 | 0 | 7 | 2.4 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nccnc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL398656 | 153744 | 0 | None | 2454 | 2 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 472 | 3 | 0 | 7 | 2.4 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nccnc5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44447078 | 94167 | 0 | None | -2 | 7 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 534 | 2 | 1 | 6 | 3.8 | CN1C[C@@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C[C@H]2c3cccc4[nH]c(Br)c(c34)C[C@@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| CHEMBL252232 | 94167 | 0 | None | -2 | 7 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 534 | 2 | 1 | 6 | 3.8 | CN1C[C@@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C[C@H]2c3cccc4[nH]c(Br)c(c34)C[C@@H]21 | 10.1016/j.bmcl.2007.12.030 | ||
| 44441868 | 154290 | 0 | None | 478 | 2 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 421 | 3 | 0 | 6 | 1.9 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccnn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL400481 | 154290 | 0 | None | 478 | 2 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 421 | 3 | 0 | 6 | 1.9 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccnn4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 46880577 | 5454 | 0 | None | -3 | 2 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 548 | 7 | 0 | 7 | 4.7 | CC(Cc1ccc2c(c1)OCO2)CN1C[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2CCCC[C@H]21 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076654 | 5454 | 0 | None | -3 | 2 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 548 | 7 | 0 | 7 | 4.7 | CC(Cc1ccc2c(c1)OCO2)CN1C[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2CCCC[C@H]21 | 10.1016/j.bmcl.2010.01.063 | ||
| 44441872 | 93822 | 0 | None | 18 | 2 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 568 | 5 | 0 | 8 | 2.7 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ncccc4OS(=O)(=O)C(F)(F)F)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL250314 | 93822 | 0 | None | 18 | 2 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 568 | 5 | 0 | 8 | 2.7 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ncccc4OS(=O)(=O)C(F)(F)F)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 9871544 | 14086 | 1 | None | -120 | 11 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076624 | 14086 | 1 | None | -120 | 11 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1198948 | 14086 | 1 | None | -120 | 11 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)[C@H]3CCCC[C@H]3C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| 44441914 | 153357 | 0 | None | 15 | 2 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 498 | 4 | 1 | 6 | 1.7 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL398319 | 153357 | 0 | None | 15 | 2 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 498 | 4 | 1 | 6 | 1.7 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44441668 | 94083 | 0 | None | 1202 | 2 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 476 | 4 | 0 | 6 | 3.2 | CC(=O)c1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL251752 | 94083 | 0 | None | 1202 | 2 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 476 | 4 | 0 | 6 | 3.2 | CC(=O)c1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | ||
| 44565066 | 12510 | 0 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 471 | 7 | 0 | 6 | 3.0 | CN(CCC(=O)N1CCN(c2ccc(=O)n(C)n2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL1187128 | 12510 | 0 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 471 | 7 | 0 | 6 | 3.0 | CN(CCC(=O)N1CCN(c2ccc(=O)n(C)n2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL491145 | 12510 | 0 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 471 | 7 | 0 | 6 | 3.0 | CN(CCC(=O)N1CCN(c2ccc(=O)n(C)n2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44565008 | 12543 | 0 | None | - | 1 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 507 | 7 | 0 | 3 | 5.9 | CN(CCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL1187261 | 12543 | 0 | None | - | 1 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 507 | 7 | 0 | 3 | 5.9 | CN(CCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL495264 | 12543 | 0 | None | - | 1 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 507 | 7 | 0 | 3 | 5.9 | CN(CCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL413830 | 211331 | 0 | None | -23 | 5 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N(C)[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm000361p | ||||
| 46880579 | 5456 | 0 | None | -5 | 2 | Human | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 548 | 7 | 0 | 7 | 4.6 | CC(Cc1ccc2c(c1)OCO2)CN1C[C@H]2CCCC[C@H]2[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076656 | 5456 | 0 | None | -5 | 2 | Human | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | 548 | 7 | 0 | 7 | 4.6 | CC(Cc1ccc2c(c1)OCO2)CN1C[C@H]2CCCC[C@H]2[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL409019 | 210985 | 0 | None | -21 | 5 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1C)C(N)=O | 10.1021/jm000361p | ||||
| 44441913 | 93796 | 0 | None | 13 | 2 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 497 | 4 | 0 | 6 | 2.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL250098 | 93796 | 0 | None | 13 | 2 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 497 | 4 | 0 | 6 | 2.5 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44441905 | 93901 | 0 | None | 38 | 2 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 435 | 3 | 1 | 5 | 2.8 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(O)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL250704 | 93901 | 0 | None | 38 | 2 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 435 | 3 | 1 | 5 | 2.8 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(O)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL386676 | 210629 | 0 | None | -16 | 4 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm000361p | ||||
| 44441878 | 93906 | 0 | None | 7 | 2 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 484 | 3 | 0 | 5 | 3.9 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cc(C)nc5ccccc45)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL250723 | 93906 | 0 | None | 7 | 2 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 484 | 3 | 0 | 5 | 3.9 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cc(C)nc5ccccc45)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44564856 | 179082 | 0 | None | 575 | 2 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 510 | 10 | 0 | 5 | 5.3 | C=CCN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL474345 | 179082 | 0 | None | 575 | 2 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 510 | 10 | 0 | 5 | 5.3 | C=CCN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2009.01.072 | ||
| 44441875 | 168555 | 0 | None | 1513 | 2 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 450 | 3 | 0 | 6 | 1.8 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(=O)n4C)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL440235 | 168555 | 0 | None | 1513 | 2 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 450 | 3 | 0 | 6 | 1.8 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(=O)n4C)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44564783 | 176341 | 0 | None | -10 | 4 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 484 | 8 | 0 | 5 | 4.8 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL461988 | 176341 | 0 | None | -10 | 4 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 484 | 8 | 0 | 5 | 4.8 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCC1c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2010.01.063 | ||
| 44441874 | 153742 | 0 | None | 1548 | 2 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 436 | 3 | 1 | 5 | 1.8 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(=O)[nH]4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL398655 | 153742 | 0 | None | 1548 | 2 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 436 | 3 | 1 | 5 | 1.8 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(=O)[nH]4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44441676 | 93569 | 0 | None | 1258 | 2 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 510 | 5 | 0 | 7 | 3.7 | COc1ccc(SC)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | ||
| CHEMBL248717 | 93569 | 0 | None | 1258 | 2 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 510 | 5 | 0 | 7 | 3.7 | COc1ccc(SC)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.086 | ||
| 44441930 | 94011 | 0 | None | 87 | 2 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 429 | 2 | 1 | 3 | 3.8 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCc4c([nH]c5ccccc45)C3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL251300 | 94011 | 0 | None | 87 | 2 | Rat | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 429 | 2 | 1 | 3 | 3.8 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCc4c([nH]c5ccccc45)C3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL2370168 | 208052 | 0 | None | -1548 | 5 | Human | 5.2 | pKd | = | 5.2 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm970393l | ||||
| 46880588 | 14087 | 0 | None | 1 | 7 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@@H](C)CN2C[C@H]3CCCC[C@H]3[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076625 | 14087 | 0 | None | 1 | 7 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@@H](C)CN2C[C@H]3CCCC[C@H]3[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1198974 | 14087 | 0 | None | 1 | 7 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@@H](C)CN2C[C@H]3CCCC[C@H]3[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL408752 | 210973 | 0 | None | -5011 | 4 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm000361p | ||||
| 44564857 | 178350 | 0 | None | -1 | 4 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 524 | 10 | 0 | 5 | 5.5 | O=C(CCN(CCC1c2ccccc2-c2ccccc21)CC1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL470331 | 178350 | 0 | None | -1 | 4 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 524 | 10 | 0 | 5 | 5.5 | O=C(CCN(CCC1c2ccccc2-c2ccccc21)CC1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/j.bmcl.2010.01.063 | ||
| 44564785 | 176358 | 0 | None | 112 | 2 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 446 | 8 | 0 | 5 | 4.0 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCc1cccc2ccccc12 | 10.1016/j.bmcl.2009.01.072 | ||
| CHEMBL462158 | 176358 | 0 | None | 112 | 2 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 446 | 8 | 0 | 5 | 4.0 | CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCc1cccc2ccccc12 | 10.1016/j.bmcl.2009.01.072 | ||
| 44441898 | 93776 | 0 | None | 1230 | 2 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 444 | 3 | 0 | 5 | 3.0 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C#N)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL249932 | 93776 | 0 | None | 1230 | 2 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 444 | 3 | 0 | 5 | 3.0 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C#N)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44441877 | 93856 | 0 | None | 602 | 2 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 494 | 3 | 0 | 5 | 4.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc5ccc(C#N)cc45)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL250522 | 93856 | 0 | None | 602 | 2 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 494 | 3 | 0 | 5 | 4.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc5ccc(C#N)cc45)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44441924 | 93940 | 0 | None | 30 | 2 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 450 | 3 | 0 | 3 | 4.7 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CC=C(c4ccc(Cl)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL250912 | 93940 | 0 | None | 30 | 2 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 450 | 3 | 0 | 3 | 4.7 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CC=C(c4ccc(Cl)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL413373 | 211304 | 0 | None | -269 | 4 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | None | None | None | CN[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm000361p | ||||
| 46880588 | 14087 | 0 | None | -1 | 7 | Rat | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@@H](C)CN2C[C@H]3CCCC[C@H]3[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076625 | 14087 | 0 | None | -1 | 7 | Rat | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@@H](C)CN2C[C@H]3CCCC[C@H]3[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1198974 | 14087 | 0 | None | -1 | 7 | Rat | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 526 | 7 | 0 | 5 | 4.6 | COc1ccc(C[C@@H](C)CN2C[C@H]3CCCC[C@H]3[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)C2)cn1 | 10.1016/j.bmcl.2010.01.063 | ||
| 44441912 | 14532 | 0 | None | - | 1 | Rat | 4.1 | pKd | = | 4.1 | Binding | ChEMBL | 463 | 4 | 1 | 5 | 2.8 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(=O)O)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL1206217 | 14532 | 0 | None | - | 1 | Rat | 4.1 | pKd | = | 4.1 | Binding | ChEMBL | 463 | 4 | 1 | 5 | 2.8 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(=O)O)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL249894 | 14532 | 0 | None | - | 1 | Rat | 4.1 | pKd | = | 4.1 | Binding | ChEMBL | 463 | 4 | 1 | 5 | 2.8 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(=O)O)cc4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL405561 | 210809 | 0 | None | -316 | 4 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](N(C)C(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm000361p | ||||
| CHEMBL412466 | 211235 | 0 | None | -467 | 4 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm000361p | ||||
| 44441876 | 93855 | 0 | None | 63 | 2 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 469 | 3 | 0 | 4 | 4.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc5ccccc45)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL250521 | 93855 | 0 | None | 63 | 2 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 469 | 3 | 0 | 4 | 4.2 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc5ccccc45)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 44441887 | 93980 | 0 | None | 239 | 2 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 460 | 3 | 0 | 7 | 2.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nccn5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| CHEMBL251121 | 93980 | 0 | None | 239 | 2 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 460 | 3 | 0 | 7 | 2.1 | COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nccn5n4)CC3)CN(C)[C@@H]1C2 | 10.1016/j.bmcl.2007.04.078 | ||
| 46880578 | 5455 | 0 | None | -83 | 2 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 548 | 7 | 0 | 7 | 4.6 | CC(Cc1ccc2c(c1)OCO2)CN1C[C@H]2CCCC[C@H]2[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076655 | 5455 | 0 | None | -83 | 2 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 548 | 7 | 0 | 7 | 4.6 | CC(Cc1ccc2c(c1)OCO2)CN1C[C@H]2CCCC[C@H]2[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 | 10.1016/j.bmcl.2010.01.063 | ||
| 46880852 | 5474 | 0 | None | -107 | 2 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 539 | 6 | 0 | 5 | 5.0 | C[C@@H](Cc1ccc2c(c1)OCO2)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076717 | 5474 | 0 | None | -107 | 2 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 539 | 6 | 0 | 5 | 5.0 | C[C@@H](Cc1ccc2c(c1)OCO2)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | ||
| 46880854 | 5476 | 0 | None | -263 | 2 | Human | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 536 | 6 | 0 | 6 | 4.3 | C[C@@H](Cc1ccc2ncnn2c1)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076719 | 5476 | 0 | None | -263 | 2 | Human | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 536 | 6 | 0 | 6 | 4.3 | C[C@@H](Cc1ccc2ncnn2c1)CN1C[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)[C@H]2CCCC[C@H]2C1 | 10.1016/j.bmcl.2010.01.063 | ||
| 46880584 | 5448 | 0 | None | -758 | 2 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 620 | 9 | 0 | 9 | 4.4 | COC(=O)c1cc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@H]3CCCC[C@H]3C2)cc(C(=O)OC)c1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL1076621 | 5448 | 0 | None | -758 | 2 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 620 | 9 | 0 | 9 | 4.4 | COC(=O)c1cc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@H]3CCCC[C@H]3C2)cc(C(=O)OC)c1 | 10.1016/j.bmcl.2010.01.063 | ||
| CHEMBL411017 | 211101 | 0 | None | -67 | 4 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(C)[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O | 10.1021/jm000361p | ||||
| CHEMBL3349516 | 209661 | 0 | None | -1 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | ||||
| CHEMBL3349522 | 209666 | 0 | None | -1 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | ||||
| CHEMBL3349521 | 209665 | 0 | None | -1 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | ||||
| 16129706 | 207277 | 36 | None | -6 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0108449 | ||||
| CHEMBL1823872 | 207277 | 36 | None | -6 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm0108449 | ||||
| CHEMBL3098601 | 209262 | 0 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1C/C=C\C[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.bmcl.2013.11.065 | ||||
| CHEMBL1823873 | 207278 | 7 | None | 1 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.bmcl.2013.11.065 | ||||
| 16129706 | 207277 | 36 | None | -6 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/s0960-894x(01)00107-x | ||||
| CHEMBL1823872 | 207277 | 36 | None | -6 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/s0960-894x(01)00107-x | ||||
| 16129706 | 207277 | 36 | None | -6 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm020424z | ||||
| CHEMBL1823872 | 207277 | 36 | None | -6 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm020424z | ||||
| CHEMBL408362 | 210953 | 0 | None | -9 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm980194h | ||||
| 16129706 | 207277 | 36 | None | -6 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.bmcl.2013.11.065 | ||||
| CHEMBL1823872 | 207277 | 36 | None | -6 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1016/j.bmcl.2013.11.065 | ||||
| CHEMBL3349517 | 209662 | 0 | None | -1 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | ||||
| 16129706 | 207277 | 36 | None | -6 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | ||||
| CHEMBL1823872 | 207277 | 36 | None | -6 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | ||||
| CHEMBL3349518 | 209663 | 0 | None | 10 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | ||||
| CHEMBL3349513 | 209658 | 0 | None | -1 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC1=O | 10.1021/jm021093t | ||||
| CHEMBL3349605 | 209678 | 0 | None | -6 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O | 10.1021/jm021093t | ||||
| CHEMBL3349606 | 209679 | 0 | None | -15 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | CN(C)CCNC(=O)O[C@@H]1C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(OCc4ccccc4)cc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2C1 | 10.1021/jm021093t | ||||
| 44308969 | 202651 | 0 | None | 1096 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 539 | 7 | 4 | 3 | 4.7 | NC[C@@H]1CCC[C@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm980194h | ||
| CHEMBL71723 | 202651 | 0 | None | 1096 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 539 | 7 | 4 | 3 | 4.7 | NC[C@@H]1CCC[C@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm980194h | ||
| CHEMBL442494 | 212155 | 0 | None | -6 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL3349603 | 209676 | 0 | None | -15 | 5 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | NCCCCCNC(=O)O[C@@H]1C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(OCc4ccccc4)cc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2C1 | 10.1021/jm021093t | ||||
| 91809310 | 125251 | 0 | None | -43 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1618 | 27 | 19 | 17 | 3.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | ||
| CHEMBL3647709 | 125251 | 0 | None | -43 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1618 | 27 | 19 | 17 | 3.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | ||
| 91809283 | 125226 | 0 | None | -1258 | 6 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 1456 | 23 | 17 | 16 | 2.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | ||
| CHEMBL3647684 | 125226 | 0 | None | -1258 | 6 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 1456 | 23 | 17 | 16 | 2.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | ||
| CHEMBL2311098 | 207750 | 0 | None | -83 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369733 | 207906 | 0 | None | -5 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N(C)[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369734 | 207907 | 0 | None | -14 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)N(C)C1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369735 | 207908 | 0 | None | -181 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369750 | 207913 | 0 | None | -27 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | CN[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@H]1CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369751 | 207914 | 0 | None | -11 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1CSSC[C@H](N(C)C(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@H](C)O)C(=O)N1 | 10.1021/jm0005048 | ||||
| CHEMBL2369752 | 207915 | 0 | None | -19 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369754 | 207917 | 0 | None | -107 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369755 | 207918 | 0 | None | -165 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369756 | 207919 | 0 | None | -5 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)N(C)C(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369757 | 207920 | 0 | None | -40 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2cccnc2)CSSC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369758 | 207921 | 0 | None | -36 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369759 | 207922 | 0 | None | 1 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)C(N)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369760 | 207923 | 0 | None | -42 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@@H](N)CCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL2369761 | 207924 | 0 | None | -8 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | CNC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@@H](N(C)C(=O)C(N)Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@H](C)O)C(=O)N1)C(c1ccccc1)c1ccccc1 | 10.1021/jm0005048 | ||||
| CHEMBL2371893 | 208392 | 0 | None | -89 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(C(F)(F)F)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| CHEMBL3349515 | 209660 | 0 | None | -12 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | ||||
| CHEMBL3349525 | 209668 | 0 | None | -10 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | ||||
| 142471769 | 191179 | 0 | None | -301 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 456 | 10 | 2 | 6 | 4.3 | COc1ccc(Cc2nnc(Cc3c[nH]c4ccc(OC)cc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5198142 | 191179 | 0 | None | -301 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 456 | 10 | 2 | 6 | 4.3 | COc1ccc(Cc2nnc(Cc3c[nH]c4ccc(OC)cc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 44387399 | 168440 | 0 | None | -2 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 1055 | 13 | 11 | 14 | 1.3 | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@H](NN2Cc3ccccc3CC2C(=O)O)CSSC[C@@H](C(=O)NN2Cc3ccccc3CC2C(=O)O)NC1=O | 10.1021/jm9806289 | ||
| CHEMBL439350 | 168440 | 0 | None | -2 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 1055 | 13 | 11 | 14 | 1.3 | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@H](NN2Cc3ccccc3CC2C(=O)O)CSSC[C@@H](C(=O)NN2Cc3ccccc3CC2C(=O)O)NC1=O | 10.1021/jm9806289 | ||
| CHEMBL385746 | 210607 | 0 | None | -72 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 142471841 | 190979 | 0 | None | -363 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1ccc2[nH]cc(Cc3nnc(Cc4ccc(F)cc4)n3CCCc3c[nH]cn3)c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5195145 | 190979 | 0 | None | -363 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1ccc2[nH]cc(Cc3nnc(Cc4ccc(F)cc4)n3CCCc3c[nH]cn3)c2c1 | 10.1039/D1MD00044F | ||
| 91809284 | 125227 | 0 | None | -512 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1896 | 34 | 20 | 20 | 5.5 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](CCCCNC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | ||
| CHEMBL3647685 | 125227 | 0 | None | -512 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1896 | 34 | 20 | 20 | 5.5 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](CCCCNC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | ||
| CHEMBL385689 | 210602 | 0 | None | -15 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 142471716 | 190886 | 0 | None | -208 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5193686 | 190886 | 0 | None | -208 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 142471929 | 190563 | 0 | None | -676 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 414 | 8 | 2 | 4 | 4.4 | Fc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5188841 | 190563 | 0 | None | -676 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 414 | 8 | 2 | 4 | 4.4 | Fc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL414116 | 211353 | 0 | None | -5 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 90665463 | 108762 | 0 | None | -4 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 882 | 28 | 3 | 9 | 4.5 | COC(=O)CCN(Cc1ccccc1)C(=O)CCN(C[C@@H](C)O)C(=O)CCN(CCCCN)C(=O)CCN(CCc1c[nH]c2ccccc12)C(=O)CCN(Cc1ccccc1)C(C)=O | 10.1039/C2MD20265D | ||
| CHEMBL3218124 | 108762 | 0 | None | -4 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 882 | 28 | 3 | 9 | 4.5 | COC(=O)CCN(Cc1ccccc1)C(=O)CCN(C[C@@H](C)O)C(=O)CCN(CCCCN)C(=O)CCN(CCc1c[nH]c2ccccc12)C(=O)CCN(Cc1ccccc1)C(C)=O | 10.1039/C2MD20265D | ||
| 168288485 | 191125 | 0 | None | -2454 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 430 | 8 | 2 | 4 | 5.0 | Clc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5197201 | 191125 | 0 | None | -2454 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 430 | 8 | 2 | 4 | 5.0 | Clc1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL3349514 | 209659 | 0 | None | -6 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | ||||
| 44397706 | 66840 | 0 | None | -70 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 456 | 9 | 2 | 6 | 5.4 | Cc1cccc2c(CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 | 10.1016/j.bmcl.2005.05.061 | ||
| CHEMBL187768 | 66840 | 0 | None | -70 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 456 | 9 | 2 | 6 | 5.4 | Cc1cccc2c(CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 | 10.1016/j.bmcl.2005.05.061 | ||
| CHEMBL2369749 | 207912 | 0 | None | -114 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm0005048 | ||||
| 10296743 | 61494 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 436 | 7 | 3 | 3 | 5.8 | O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)OCc1ccccc1 | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL177337 | 61494 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 436 | 7 | 3 | 3 | 5.8 | O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)OCc1ccccc1 | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL408347 | 210950 | 0 | None | -117 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 142471978 | 191835 | 0 | None | -891 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 4.3 | c1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5208396 | 191835 | 0 | None | -891 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 396 | 8 | 2 | 4 | 4.3 | c1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 44385652 | 60058 | 0 | None | -6 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 405 | 6 | 4 | 2 | 5.5 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccccc1 | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL174872 | 60058 | 0 | None | -6 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 405 | 6 | 4 | 2 | 5.5 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccccc1 | 10.1016/s0960-894x(01)00107-x | ||
| 10210016 | 60099 | 0 | None | -7 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 441 | 6 | 4 | 2 | 5.7 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(F)cc1F | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL175197 | 60099 | 0 | None | -7 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 441 | 6 | 4 | 2 | 5.7 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(F)cc1F | 10.1016/s0960-894x(01)00107-x | ||
| 2054 | 3899 | 11 | None | -741 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | ||||
| 71306 | 3899 | 11 | None | -741 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | ||||
| CHEMBL264186 | 3899 | 11 | None | -741 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | ||||
| CHEMBL3349523 | 3899 | 11 | None | -741 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | ||||
| DB04894 | 3899 | 11 | None | -741 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | ||||
| 91809287 | 159699 | 0 | None | -3162 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1472 | 23 | 17 | 16 | 1.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCC[S@+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | ||
| CHEMBL4110066 | 159699 | 0 | None | -3162 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 1472 | 23 | 17 | 16 | 1.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCC[S@+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | ||
| 90665462 | 108730 | 0 | None | -5 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 867 | 27 | 3 | 9 | 4.1 | COC(=O)CCN(Cc1ccccc1)C(=O)CCN(C[C@@H](C)O)C(=O)CCN(CCCCN)C(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CCN(Cc1ccccc1)C(C)=O | 10.1039/C2MD20265D | ||
| CHEMBL3217760 | 108730 | 0 | None | -5 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 867 | 27 | 3 | 9 | 4.1 | COC(=O)CCN(Cc1ccccc1)C(=O)CCN(C[C@@H](C)O)C(=O)CCN(CCCCN)C(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CCN(Cc1ccccc1)C(C)=O | 10.1039/C2MD20265D | ||
| 90665460 | 108760 | 0 | None | -7 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 793 | 13 | 3 | 7 | 3.9 | C[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)CCC(=O)N(Cc2ccccc2)CCC(=O)N(CCc2c[nH]c3ccccc23)CC(=O)N(CCCCN)CCC1=O | 10.1039/C2MD20265D | ||
| CHEMBL3218122 | 108760 | 0 | None | -7 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 793 | 13 | 3 | 7 | 3.9 | C[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)CCC(=O)N(Cc2ccccc2)CCC(=O)N(CCc2c[nH]c3ccccc23)CC(=O)N(CCCCN)CCC1=O | 10.1039/C2MD20265D | ||
| CHEMBL385745 | 210606 | 0 | None | -15 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 142471655 | 189821 | 0 | None | -562 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1ccc2[nH]cc(Cc3nnc(Cc4ccccc4)n3CCCc3c[nH]cn3)c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5178013 | 189821 | 0 | None | -562 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1ccc2[nH]cc(Cc3nnc(Cc4ccccc4)n3CCCc3c[nH]cn3)c2c1 | 10.1039/D1MD00044F | ||
| 10166743 | 123415 | 0 | None | -21 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 439 | 6 | 4 | 2 | 6.1 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL362859 | 123415 | 0 | None | -21 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 439 | 6 | 4 | 2 | 6.1 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL275806 | 209068 | 0 | None | -1 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)O)NC1=O | 10.1021/jm9806289 | ||||
| 11848679 | 88800 | 0 | None | -134 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 489 | 9 | 3 | 9 | 2.9 | CCOc1cc(CN2CCC(Nc3nc4cc(S(N)(=O)=O)ccc4o3)CC2)cc(OCC)c1N | 10.1016/j.bmcl.2009.09.024 | ||
| CHEMBL236788 | 88800 | 0 | None | -134 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 489 | 9 | 3 | 9 | 2.9 | CCOc1cc(CN2CCC(Nc3nc4cc(S(N)(=O)=O)ccc4o3)CC2)cc(OCC)c1N | 10.1016/j.bmcl.2009.09.024 | ||
| 44397648 | 66416 | 0 | None | -44 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 476 | 9 | 2 | 6 | 5.7 | NCCCCn1c(SCCc2c[nH]c3c(Cl)cccc23)nnc1-c1ccc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | ||
| CHEMBL185861 | 66416 | 0 | None | -44 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 476 | 9 | 2 | 6 | 5.7 | NCCCCn1c(SCCc2c[nH]c3c(Cl)cccc23)nnc1-c1ccc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | ||
| 44332931 | 4542 | 0 | None | -1047 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 396 | 3 | 3 | 2 | 6.1 | c1ccc(-c2c[nH]c(C3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)cc1 | 10.1021/jm0108449 | ||
| CHEMBL102892 | 4542 | 0 | None | -1047 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 396 | 3 | 3 | 2 | 6.1 | c1ccc(-c2c[nH]c(C3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)cc1 | 10.1021/jm0108449 | ||
| CHEMBL1201959 | 4542 | 0 | None | -1047 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 396 | 3 | 3 | 2 | 6.1 | c1ccc(-c2c[nH]c(C3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)cc1 | 10.1021/jm0108449 | ||
| 142471665 | 191101 | 0 | None | -602 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 414 | 8 | 2 | 4 | 4.4 | Fc1ccc2c(Cc3nnc(Cc4ccccc4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5196971 | 191101 | 0 | None | -602 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 414 | 8 | 2 | 4 | 4.4 | Fc1ccc2c(Cc3nnc(Cc4ccccc4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL438281 | 212005 | 0 | None | 1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2F)CSSC[C@H](C(=O)N[C@@H](Cc2ccccc2F)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 44385757 | 60992 | 0 | None | -1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 461 | 6 | 4 | 2 | 6.8 | CC(C)(C)c1ccc(C(=N)N[C@H](Cc2c[nH]c3ccccc23)c2nc(-c3ccccc3)c[nH]2)cc1 | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL176730 | 60992 | 0 | None | -1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 461 | 6 | 4 | 2 | 6.8 | CC(C)(C)c1ccc(C(=N)N[C@H](Cc2c[nH]c3ccccc23)c2nc(-c3ccccc3)c[nH]2)cc1 | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL3349520 | 209664 | 0 | None | 1 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | ||||
| CHEMBL407496 | 210908 | 0 | None | -63 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(F)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| CHEMBL1794035 | 207184 | 0 | None | -7 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O | 10.1021/jm0005048 | ||||
| 16129706 | 207277 | 36 | None | -6 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm050376t | ||||
| CHEMBL1823872 | 207277 | 36 | None | -6 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm050376t | ||||
| 10580397 | 98844 | 0 | None | -4 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 677 | 20 | 3 | 7 | 6.9 | NCCCCCNC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| CHEMBL282129 | 98844 | 0 | None | -4 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 677 | 20 | 3 | 7 | 6.9 | NCCCCCNC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| 142471719 | 189898 | 0 | None | -204 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 492 | 9 | 1 | 5 | 5.5 | Cn1cc(CCc2nnc(Cc3cccc(C(F)(F)F)c3)n2CCCc2c[nH]cn2)c2ccccc21 | 10.1039/D1MD00044F | ||
| CHEMBL5179321 | 189898 | 0 | None | -204 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 492 | 9 | 1 | 5 | 5.5 | Cn1cc(CCc2nnc(Cc3cccc(C(F)(F)F)c3)n2CCCc2c[nH]cn2)c2ccccc21 | 10.1039/D1MD00044F | ||
| 13690207 | 114870 | 0 | None | -812 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1039/C2MD20265D | ||
| CHEMBL3350037 | 114870 | 0 | None | -812 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1039/C2MD20265D | ||
| 10094509 | 130151 | 0 | None | -63 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 435 | 7 | 4 | 3 | 5.5 | COc1ccc(C(=N)N[C@H](Cc2c[nH]c3ccccc23)c2nc(-c3ccccc3)c[nH]2)cc1 | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL368334 | 130151 | 0 | None | -63 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 435 | 7 | 4 | 3 | 5.5 | COc1ccc(C(=N)N[C@H](Cc2c[nH]c3ccccc23)c2nc(-c3ccccc3)c[nH]2)cc1 | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL429166 | 211751 | 0 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC(C)(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 15965425 | 2167 | 4 | None | -239883 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 645 | 11 | 5 | 7 | 4.3 | NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1021/jm020424z | ||
| 2046 | 2167 | 4 | None | -239883 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 645 | 11 | 5 | 7 | 4.3 | NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1021/jm020424z | ||
| CHEMBL99895 | 2167 | 4 | None | -239883 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 645 | 11 | 5 | 7 | 4.3 | NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1021/jm020424z | ||
| 91809303 | 125244 | 0 | None | -75 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1659 | 28 | 18 | 16 | 3.8 | CC(=O)N(CCC(=O)N[C@@H](CN[C@@H]1CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O)Cc1ccc(O)cc1)C[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 | nan | ||
| CHEMBL3647702 | 125244 | 0 | None | -75 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1659 | 28 | 18 | 16 | 3.8 | CC(=O)N(CCC(=O)N[C@@H](CN[C@@H]1CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O)Cc1ccc(O)cc1)C[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 | nan | ||
| 10325243 | 100016 | 0 | None | -1 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 549 | 17 | 1 | 7 | 5.3 | CO[C@@H]1O[C@H](COCCCCCN)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| CHEMBL29102 | 100016 | 0 | None | -1 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 549 | 17 | 1 | 7 | 5.3 | CO[C@@H]1O[C@H](COCCCCCN)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| 44309052 | 202240 | 0 | None | -123 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 539 | 7 | 4 | 3 | 4.7 | NC[C@H]1CCC[C@@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm980194h | ||
| CHEMBL69303 | 202240 | 0 | None | -123 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 539 | 7 | 4 | 3 | 4.7 | NC[C@H]1CCC[C@@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm980194h | ||
| 13690207 | 114870 | 0 | None | -812 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm021093t | ||
| CHEMBL3350037 | 114870 | 0 | None | -812 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm021093t | ||
| 44385504 | 60708 | 0 | None | -6 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 489 | 7 | 4 | 3 | 6.4 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(OC(F)(F)F)cc1 | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL176313 | 60708 | 0 | None | -6 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 489 | 7 | 4 | 3 | 6.4 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(OC(F)(F)F)cc1 | 10.1016/s0960-894x(01)00107-x | ||
| 142471684 | 190846 | 0 | None | -1174 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5193172 | 190846 | 0 | None | -1174 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 426 | 9 | 2 | 5 | 4.3 | COc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 91809306 | 125247 | 0 | None | -190 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1738 | 28 | 16 | 17 | 6.7 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N(CCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | ||
| CHEMBL3647705 | 125247 | 0 | None | -190 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1738 | 28 | 16 | 17 | 6.7 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N(CCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | ||
| 10411795 | 130084 | 0 | None | -15 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 457 | 6 | 4 | 2 | 5.9 | O=C(Nc1ccc(F)cc1F)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1 | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL368176 | 130084 | 0 | None | -15 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 457 | 6 | 4 | 2 | 5.9 | O=C(Nc1ccc(F)cc1F)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1 | 10.1016/s0960-894x(01)00107-x | ||
| 142471848 | 190663 | 0 | None | -263 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 492 | 8 | 2 | 4 | 5.2 | Fc1ccc2c(Cc3nnc(Cc4cccc(Br)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5190457 | 190663 | 0 | None | -263 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 492 | 8 | 2 | 4 | 5.2 | Fc1ccc2c(Cc3nnc(Cc4cccc(Br)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| 44385712 | 60010 | 0 | None | -4 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 343 | 5 | 4 | 2 | 4.4 | CC(=N)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1 | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL174490 | 60010 | 0 | None | -4 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 343 | 5 | 4 | 2 | 4.4 | CC(=N)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1 | 10.1016/s0960-894x(01)00107-x | ||
| 91809320 | 125844 | 0 | None | -50 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1897 | 34 | 19 | 18 | 6.5 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](CCCCNC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | ||
| CHEMBL3650456 | 125844 | 0 | None | -50 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1897 | 34 | 19 | 18 | 6.5 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](CCCCNC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | ||
| 44377555 | 57212 | 0 | None | -4 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 384 | 5 | 1 | 5 | 5.2 | NCCCc1nc(-c2csc3ccccc23)cn2cc(-c3ccccc3)nc12 | 10.1016/s0960-894x(01)00051-8 | ||
| CHEMBL166247 | 57212 | 0 | None | -4 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 384 | 5 | 1 | 5 | 5.2 | NCCCc1nc(-c2csc3ccccc23)cn2cc(-c3ccccc3)nc12 | 10.1016/s0960-894x(01)00051-8 | ||
| CHEMBL3349601 | 209674 | 0 | None | -5 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2C[C@@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O | 10.1021/jm021093t | ||||
| CHEMBL3349602 | 209675 | 0 | None | -10 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O | 10.1021/jm021093t | ||||
| 10009650 | 99321 | 0 | None | -3 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 668 | 20 | 3 | 8 | 6.1 | NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]cn2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| CHEMBL285333 | 99321 | 0 | None | -3 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 668 | 20 | 3 | 8 | 6.1 | NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]cn2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| 13690207 | 114870 | 0 | None | -812 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1016/j.bmcl.2013.11.065 | ||
| CHEMBL3350037 | 114870 | 0 | None | -812 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1016/j.bmcl.2013.11.065 | ||
| 142471737 | 189700 | 0 | None | -77 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 492 | 9 | 1 | 5 | 5.8 | Cn1cc(CCc2nnc(Cc3ccc(Cl)c(Cl)c3)n2CCCc2c[nH]cn2)c2ccccc21 | 10.1039/D1MD00044F | ||
| CHEMBL5176020 | 189700 | 0 | None | -77 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 492 | 9 | 1 | 5 | 5.8 | Cn1cc(CCc2nnc(Cc3ccc(Cl)c(Cl)c3)n2CCCc2c[nH]cn2)c2ccccc21 | 10.1039/D1MD00044F | ||
| 91809277 | 125220 | 0 | None | -107 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1457 | 23 | 16 | 14 | 3.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | ||
| CHEMBL3647678 | 125220 | 0 | None | -107 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1457 | 23 | 16 | 14 | 3.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | ||
| 71461645 | 78479 | 0 | None | -4 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 367 | 5 | 2 | 4 | 4.4 | NCCCc1nc(-c2c[nH]c3ccccc23)cn2cc(-c3ccccc3)nc12 | 10.1016/s0960-894x(01)00051-8 | ||
| CHEMBL2112935 | 78479 | 0 | None | -4 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 367 | 5 | 2 | 4 | 4.4 | NCCCc1nc(-c2c[nH]c3ccccc23)cn2cc(-c3ccccc3)nc12 | 10.1016/s0960-894x(01)00051-8 | ||
| CHEMBL438726 | 212031 | 0 | None | 2 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(F)c(F)c(F)c(F)c2F)CSSC[C@H](C(=O)N[C@@H](Cc2c(F)c(F)c(F)c(F)c2F)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 10248767 | 56881 | 0 | None | -7 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 373 | 6 | 1 | 6 | 3.9 | NCCCc1nc(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccccc3)nc12 | 10.1016/s0960-894x(01)00051-8 | ||
| CHEMBL164964 | 56881 | 0 | None | -7 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 373 | 6 | 1 | 6 | 3.9 | NCCCc1nc(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccccc3)nc12 | 10.1016/s0960-894x(01)00051-8 | ||
| 44386389 | 129548 | 0 | None | -6 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 473 | 6 | 4 | 2 | 6.5 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL367699 | 129548 | 0 | None | -6 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 473 | 6 | 4 | 2 | 6.5 | N=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1)c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL414386 | 211371 | 0 | None | -4 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 142471801 | 191691 | 0 | None | -199 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 494 | 9 | 2 | 5 | 5.3 | COc1ccc2[nH]cc(Cc3nnc(Cc4cccc(C(F)(F)F)c4)n3CCCc3c[nH]cn3)c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5206148 | 191691 | 0 | None | -199 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 494 | 9 | 2 | 5 | 5.3 | COc1ccc2[nH]cc(Cc3nnc(Cc4cccc(C(F)(F)F)c4)n3CCCc3c[nH]cn3)c2c1 | 10.1039/D1MD00044F | ||
| 142471923 | 191304 | 0 | None | -512 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 488 | 10 | 2 | 6 | 3.9 | CS(=O)(=O)c1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5200112 | 191304 | 0 | None | -512 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 488 | 10 | 2 | 6 | 3.9 | CS(=O)(=O)c1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL406491 | 210854 | 0 | None | 4 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2F)CSSC[C@@H](C(=O)N[C@@H](Cc2ccccc2F)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 2070 | 689 | 3 | None | -5888 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1 | 10.1021/jm0108449 | ||
| 9802572 | 689 | 3 | None | -5888 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1 | 10.1021/jm0108449 | ||
| CHEMBL2069499 | 689 | 3 | None | -5888 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 426 | 8 | 3 | 2 | 7.0 | CCCCC1(CCCC)N[C@H](Cc2c1[nH]c1c2cccc1)c1ncc([nH]1)c1ccccc1 | 10.1021/jm0108449 | ||
| CHEMBL437448 | 211961 | 0 | None | -23 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Br)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc(Br)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 91809275 | 125218 | 0 | None | -316 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1603 | 27 | 18 | 17 | 3.6 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | ||
| CHEMBL3647676 | 125218 | 0 | None | -316 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1603 | 27 | 18 | 17 | 3.6 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | ||
| CHEMBL2369753 | 207916 | 0 | None | -4 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | C[C@H](O)[C@@H]1C(=O)N[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N1C | 10.1021/jm0005048 | ||||
| 9852911 | 98911 | 0 | None | -26 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| CHEMBL282618 | 98911 | 0 | None | -26 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| 10770814 | 100312 | 0 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| CHEMBL29311 | 100312 | 0 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| 44377591 | 55329 | 0 | None | -1 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 536 | 9 | 3 | 6 | 5.6 | CC(C)(C(=O)NCCc1c[nH]c2ccccc12)c1cn2cc(-c3csc4ccccc34)nc(CCCN)c2n1 | 10.1016/s0960-894x(01)00051-8 | ||
| CHEMBL162140 | 55329 | 0 | None | -1 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 536 | 9 | 3 | 6 | 5.6 | CC(C)(C(=O)NCCc1c[nH]c2ccccc12)c1cn2cc(-c3csc4ccccc34)nc(CCCN)c2n1 | 10.1016/s0960-894x(01)00051-8 | ||
| 142471961 | 190816 | 0 | None | -275 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 494 | 10 | 2 | 5 | 5.4 | FC(F)(F)Oc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5192791 | 190816 | 0 | None | -275 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 494 | 10 | 2 | 5 | 5.4 | FC(F)(F)Oc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 91809285 | 125228 | 0 | None | -323 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1880 | 34 | 19 | 19 | 5.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](CCCCNC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | ||
| CHEMBL3647686 | 125228 | 0 | None | -323 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1880 | 34 | 19 | 19 | 5.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](CCCCNC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | ||
| 91809301 | 125242 | 0 | None | -831 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1470 | 22 | 17 | 16 | 2.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | ||
| CHEMBL3647700 | 125242 | 0 | None | -831 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1470 | 22 | 17 | 16 | 2.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | ||
| 9985523 | 98691 | 0 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 572 | 17 | 2 | 6 | 6.2 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)C[C@@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| CHEMBL281200 | 98691 | 0 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 572 | 17 | 2 | 6 | 6.2 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)C[C@@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| CHEMBL408987 | 210983 | 0 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)CNC1=O | 10.1021/jm9806289 | ||||
| CHEMBL410181 | 211048 | 0 | None | -1 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 9848232 | 101670 | 0 | None | -6 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 485 | 8 | 4 | 3 | 3.7 | NCCCCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm980194h | ||
| CHEMBL302567 | 101670 | 0 | None | -6 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 485 | 8 | 4 | 3 | 3.7 | NCCCCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm980194h | ||
| 142471733 | 189961 | 0 | None | -75 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 394 | 7 | 2 | 4 | 4.4 | CC(C)(C)Cc1nnc(Cc2c[nH]c3cc(F)ccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| CHEMBL5180116 | 189961 | 0 | None | -75 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 394 | 7 | 2 | 4 | 4.4 | CC(C)(C)Cc1nnc(Cc2c[nH]c3cc(F)ccc23)n1CCCc1c[nH]cn1 | 10.1039/D1MD00044F | ||
| CHEMBL407195 | 210889 | 0 | None | -21 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(F)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 10699714 | 98945 | 0 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| CHEMBL282803 | 98945 | 0 | None | -2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 678 | 20 | 2 | 7 | 7.4 | NCCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| 73348312 | 88794 | 0 | None | -4897 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 410 | 3 | 3 | 2 | 6.2 | CC1(C2CCCCC2)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | ||
| CHEMBL2367844 | 88794 | 0 | None | -4897 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 410 | 3 | 3 | 2 | 6.2 | CC1(C2CCCCC2)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 | 10.1021/jm0108449 | ||
| CHEMBL439005 | 212059 | 0 | None | -8 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 168274800 | 189489 | 0 | None | -630 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 492 | 9 | 2 | 6 | 3.8 | CS(=O)(=O)c1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5172814 | 189489 | 0 | None | -630 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 492 | 9 | 2 | 6 | 3.8 | CS(=O)(=O)c1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 16062816 | 5972 | 0 | None | -1479 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 473 | 9 | 2 | 7 | 5.1 | CCOc1cc(CN2CCC(Nc3nc4cc(C(=O)O)ccc4o3)CC2)cc(OCC)c1Cl | 10.1016/j.bmcl.2009.09.024 | ||
| CHEMBL1080585 | 5972 | 0 | None | -1479 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 473 | 9 | 2 | 7 | 5.1 | CCOc1cc(CN2CCC(Nc3nc4cc(C(=O)O)ccc4o3)CC2)cc(OCC)c1Cl | 10.1016/j.bmcl.2009.09.024 | ||
| 86294248 | 118302 | 1 | None | -1023 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 298 | 3 | 2 | 4 | 1.4 | Cn1nc(C(C)(C)NC(=O)[C@@H]2[C@H]3CNC[C@H]32)c2ccccc21 | 10.1021/ml500538a | ||
| CHEMBL3421843 | 118302 | 1 | None | -1023 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 298 | 3 | 2 | 4 | 1.4 | Cn1nc(C(C)(C)NC(=O)[C@@H]2[C@H]3CNC[C@H]32)c2ccccc21 | 10.1021/ml500538a | ||
| 71458043 | 78478 | 0 | None | -3 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 494 | 10 | 3 | 5 | 4.3 | CC(C)(C(=O)NCCc1c[nH]c2ccccc12)c1cn2cc(Cc3ccccc3)nc(CCCN)c2n1 | 10.1016/s0960-894x(01)00051-8 | ||
| CHEMBL2112934 | 78478 | 0 | None | -3 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 494 | 10 | 3 | 5 | 4.3 | CC(C)(C(=O)NCCc1c[nH]c2ccccc12)c1cn2cc(Cc3ccccc3)nc(CCCN)c2n1 | 10.1016/s0960-894x(01)00051-8 | ||
| 142471924 | 189790 | 0 | None | -524 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 432 | 8 | 2 | 4 | 4.6 | Fc1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5177573 | 189790 | 0 | None | -524 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 432 | 8 | 2 | 4 | 4.6 | Fc1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| 91809300 | 125241 | 0 | None | -602 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1454 | 22 | 16 | 15 | 2.7 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | ||
| CHEMBL3647699 | 125241 | 0 | None | -602 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1454 | 22 | 16 | 15 | 2.7 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | ||
| 142471772 | 190574 | 0 | None | -870 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 488 | 9 | 2 | 4 | 5.3 | Brc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5189042 | 190574 | 0 | None | -870 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 488 | 9 | 2 | 4 | 5.3 | Brc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 56945132 | 170844 | 0 | None | -251 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 478 | 9 | 2 | 4 | 5.8 | Clc1ccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1Cl | 10.1039/C8MD00388B | ||
| CHEMBL4462793 | 170844 | 0 | None | -251 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 478 | 9 | 2 | 4 | 5.8 | Clc1ccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1Cl | 10.1039/C8MD00388B | ||
| CHEMBL415201 | 211422 | 0 | None | -13 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(F)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 46882133 | 5716 | 0 | None | -27 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 478 | 9 | 2 | 7 | 5.1 | CCOc1cc(CN2CCC(Nc3nc4cc(NC(=O)C5CCC5)ccc4o3)CC2)ccc1OC | 10.1016/j.bmcl.2009.09.024 | ||
| CHEMBL1078896 | 5716 | 0 | None | -27 | 7 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 478 | 9 | 2 | 7 | 5.1 | CCOc1cc(CN2CCC(Nc3nc4cc(NC(=O)C5CCC5)ccc4o3)CC2)ccc1OC | 10.1016/j.bmcl.2009.09.024 | ||
| 91809308 | 125249 | 0 | None | -15 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1602 | 27 | 18 | 16 | 4.2 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | ||
| CHEMBL3647707 | 125249 | 0 | None | -15 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1602 | 27 | 18 | 16 | 4.2 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | ||
| 9857566 | 59730 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 302 | 4 | 3 | 2 | 3.8 | N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1 | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL173715 | 59730 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 302 | 4 | 3 | 2 | 3.8 | N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1 | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL1201185 | 206849 | 17 | None | -1000 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O | 10.1021/jm021093t | ||||
| 11963995 | 91419 | 0 | None | -295 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 387 | 6 | 1 | 4 | 3.8 | CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)ccc1Cl | 10.1021/jm701144e | ||
| CHEMBL241329 | 91419 | 0 | None | -295 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 387 | 6 | 1 | 4 | 3.8 | CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)ccc1Cl | 10.1021/jm701144e | ||
| CHEMBL413171 | 211293 | 0 | None | -4 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(F)c(F)c(F)c(F)c2F)CSSC[C@H](C(=O)N[C@@H](Cc2c(F)c(F)c(F)c(F)c2F)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 11705763 | 167741 | 0 | None | -1380 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 484 | 10 | 2 | 7 | 5.4 | Cc1cccc2c(C(=O)CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 | 10.1016/j.bmcl.2005.05.061 | ||
| CHEMBL434159 | 167741 | 0 | None | -1380 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 484 | 10 | 2 | 7 | 5.4 | Cc1cccc2c(C(=O)CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 | 10.1016/j.bmcl.2005.05.061 | ||
| 142471677 | 191342 | 0 | None | -1621 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 478 | 9 | 2 | 4 | 5.5 | FC(F)(F)c1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5200786 | 191342 | 0 | None | -1621 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 478 | 9 | 2 | 4 | 5.5 | FC(F)(F)c1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 44308836 | 102305 | 0 | None | -134 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 539 | 7 | 4 | 3 | 4.7 | NCC1CCCC(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm980194h | ||
| CHEMBL305279 | 102305 | 0 | None | -134 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 539 | 7 | 4 | 3 | 4.7 | NCC1CCCC(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm980194h | ||
| 9827283 | 78163 | 0 | None | -117 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 499 | 9 | 4 | 3 | 4.1 | NCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm980194h | ||
| CHEMBL2112223 | 78163 | 0 | None | -117 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 499 | 9 | 4 | 3 | 4.1 | NCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 | 10.1021/jm980194h | ||
| 142471936 | 190889 | 0 | None | -776 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 482 | 8 | 2 | 4 | 5.5 | Fc1ccc2c(Cc3nnc(Cc4cccc(C(F)(F)F)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5193727 | 190889 | 0 | None | -776 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 482 | 8 | 2 | 4 | 5.5 | Fc1ccc2c(Cc3nnc(Cc4cccc(C(F)(F)F)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL437057 | 211945 | 0 | None | -3 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(F)c(F)c(F)c(F)c2F)CSSC[C@H](C(=O)N[C@@H](Cc2c(F)c(F)c(F)c(F)c2F)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| CHEMBL264028 | 208848 | 0 | None | -32 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(I)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 44397389 | 123513 | 0 | None | -33 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 460 | 9 | 2 | 6 | 5.2 | NCCCCn1c(SCCc2c[nH]c3cc(F)ccc23)nnc1-c1ccc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | ||
| CHEMBL363092 | 123513 | 0 | None | -33 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 460 | 9 | 2 | 6 | 5.2 | NCCCCn1c(SCCc2c[nH]c3cc(F)ccc23)nnc1-c1ccc2ccccc2n1 | 10.1016/j.bmcl.2005.05.061 | ||
| 142471730 | 189781 | 0 | None | -741 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 464 | 8 | 2 | 4 | 5.3 | FC(F)(F)c1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5177487 | 189781 | 0 | None | -741 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 464 | 8 | 2 | 4 | 5.3 | FC(F)(F)c1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 91809302 | 125243 | 0 | None | -26 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1439 | 23 | 16 | 14 | 3.7 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | ||
| CHEMBL3647701 | 125243 | 0 | None | -26 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1439 | 23 | 16 | 14 | 3.7 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | ||
| 91809291 | 125232 | 0 | None | -120 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1473 | 23 | 16 | 14 | 2.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCC[S+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | ||
| CHEMBL3647690 | 125232 | 0 | None | -120 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1473 | 23 | 16 | 14 | 2.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCC[S+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | ||
| 2018 | 2946 | 22 | None | -50 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | ||||
| 9941444 | 2946 | 22 | None | -50 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | ||||
| CHEMBL3349607 | 2946 | 22 | None | -50 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | ||||
| DB06663 | 2946 | 22 | None | -50 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm021093t | ||||
| CHEMBL3349524 | 209667 | 0 | None | -10 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O | 10.1021/jm021093t | ||||
| CHEMBL3349604 | 209677 | 0 | None | -15 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2C[C@@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O | 10.1021/jm021093t | ||||
| 91809286 | 125229 | 0 | None | -41 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1489 | 23 | 16 | 15 | 2.6 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCS(=O)(=O)C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | ||
| CHEMBL3647687 | 125229 | 0 | None | -41 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1489 | 23 | 16 | 15 | 2.6 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCS(=O)(=O)C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | ||
| CHEMBL411556 | 211129 | 0 | None | 1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2cccc(F)c2)CSSC[C@@H](C(=O)N[C@@H](Cc2cccc(F)c2)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 142471891 | 189991 | 0 | None | -436 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 430 | 8 | 2 | 4 | 5.0 | Clc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL5180551 | 189991 | 0 | None | -436 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 430 | 8 | 2 | 4 | 5.0 | Clc1ccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1 | 10.1039/D1MD00044F | ||
| CHEMBL3349599 | 209672 | 0 | None | -199 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O | 10.1021/jm021093t | ||||
| CHEMBL421362 | 211516 | 0 | None | -1258 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm021093t | ||||
| 91809292 | 125233 | 0 | None | -3235 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1619 | 27 | 18 | 17 | 2.6 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](Cc2ccc(O)cc2)NC(=O)C[S+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | ||
| CHEMBL3647691 | 125233 | 0 | None | -3235 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1619 | 27 | 18 | 17 | 2.6 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](Cc2ccc(O)cc2)NC(=O)C[S+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | ||
| 90644981 | 111308 | 0 | None | -173 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 365 | 5 | 3 | 2 | 4.1 | O=C(N[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| CHEMBL3287613 | 111308 | 0 | None | -173 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 365 | 5 | 3 | 2 | 4.1 | O=C(N[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 | 10.1021/ml500079u | ||
| 142471678 | 189439 | 0 | None | -660 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 474 | 9 | 2 | 6 | 3.7 | CS(=O)(=O)c1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5171935 | 189439 | 0 | None | -660 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 474 | 9 | 2 | 6 | 3.7 | CS(=O)(=O)c1cccc(Cc2nnc(Cc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 10554930 | 99716 | 0 | None | -2 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 562 | 17 | 3 | 7 | 4.9 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]cn2)C[C@@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| CHEMBL28824 | 99716 | 0 | None | -2 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 562 | 17 | 3 | 7 | 4.9 | NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2c[nH]cn2)C[C@@H]1OCc1ccccc1 | 10.1021/jm9800346 | ||
| 91809296 | 125237 | 0 | None | -34673 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1488 | 23 | 17 | 17 | 1.5 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCS(=O)(=O)C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | ||
| CHEMBL3647695 | 125237 | 0 | None | -34673 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1488 | 23 | 17 | 17 | 1.5 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCCS(=O)(=O)C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | ||
| CHEMBL414598 | 211388 | 0 | None | 1 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(F)c(F)c(F)c(F)c2F)CSSC[C@@H](C(=O)N[C@@H](Cc2c(F)c(F)c(F)c(F)c2F)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 142471767 | 191674 | 0 | None | -1348 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 444 | 9 | 2 | 4 | 5.1 | Clc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5205904 | 191674 | 0 | None | -1348 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 444 | 9 | 2 | 4 | 5.1 | Clc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 44363816 | 39422 | 0 | None | -194 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 589 | 14 | 3 | 5 | 5.0 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(CCCc2ccccc2)C1=O | 10.1016/s0960-894x(99)00016-5 | ||
| CHEMBL147499 | 39422 | 0 | None | -194 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 589 | 14 | 3 | 5 | 5.0 | C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(CCCc2ccccc2)C1=O | 10.1016/s0960-894x(99)00016-5 | ||
| CHEMBL2372959 | 208570 | 0 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)C2Cc3ccccc3C2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)C2Cc3ccccc3C2)NC1=O | 10.1021/jm9806289 | ||||
| 117711399 | 118304 | 0 | None | -104 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 310 | 3 | 2 | 4 | 1.8 | Cc1nc(C(C)(C)NC(=O)[C@@H]2[C@H]3CNC[C@H]32)c2ccccc2n1 | 10.1021/ml500538a | ||
| CHEMBL3421845 | 118304 | 0 | None | -104 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 310 | 3 | 2 | 4 | 1.8 | Cc1nc(C(C)(C)NC(=O)[C@@H]2[C@H]3CNC[C@H]32)c2ccccc2n1 | 10.1021/ml500538a | ||
| 91809290 | 125231 | 0 | None | -213 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1636 | 27 | 18 | 16 | 3.3 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](Cc2ccc(O)cc2)NC(=O)C[S+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | ||
| CHEMBL3647689 | 125231 | 0 | None | -213 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1636 | 27 | 18 | 16 | 3.3 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](Cc2ccc(O)cc2)NC(=O)C[S+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | ||
| CHEMBL406152 | 210839 | 0 | None | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2cccc(F)c2)CSSC[C@H](C(=O)N[C@@H](Cc2cccc(F)c2)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 90665461 | 108761 | 0 | None | -4 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 807 | 13 | 3 | 7 | 4.3 | C[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)CCC(=O)N(Cc2ccccc2)CCC(=O)N(CCc2c[nH]c3ccccc23)CCC(=O)N(CCCCN)CCC1=O | 10.1039/C2MD20265D | ||
| CHEMBL3218123 | 108761 | 0 | None | -4 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 807 | 13 | 3 | 7 | 4.3 | C[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)CCC(=O)N(Cc2ccccc2)CCC(=O)N(CCc2c[nH]c3ccccc23)CCC(=O)N(CCCCN)CCC1=O | 10.1039/C2MD20265D | ||
| CHEMBL406738 | 210861 | 0 | None | -11 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC(C)CC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O | 10.1021/jm9806289 | ||||
| 86293506 | 118301 | 0 | None | -229 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 3 | 2 | 3 | 2.4 | Cc1cc2ccccc2c(C(C)(C)NC(=O)[C@@H]2[C@H]3CNC[C@H]32)n1 | 10.1021/ml500538a | ||
| CHEMBL3421842 | 118301 | 0 | None | -229 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 309 | 3 | 2 | 3 | 2.4 | Cc1cc2ccccc2c(C(C)(C)NC(=O)[C@@H]2[C@H]3CNC[C@H]32)n1 | 10.1021/ml500538a | ||
| 168275406 | 189703 | 0 | None | -794 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 482 | 8 | 2 | 4 | 5.7 | Fc1ccc2c(Cc3nnc(Cc4ccc(Cl)c(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5176083 | 189703 | 0 | None | -794 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 482 | 8 | 2 | 4 | 5.7 | Fc1ccc2c(Cc3nnc(Cc4ccc(Cl)c(Cl)c4)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| 13690207 | 114870 | 0 | None | -812 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm050376t | ||
| CHEMBL3350037 | 114870 | 0 | None | -812 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1018 | 17 | 13 | 14 | -0.8 | C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | 10.1021/jm050376t | ||
| 91809276 | 125219 | 0 | None | -26 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1620 | 27 | 18 | 16 | 4.3 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | ||
| CHEMBL3647677 | 125219 | 0 | None | -26 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1620 | 27 | 18 | 16 | 4.3 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O | nan | ||
| 91809294 | 125235 | 0 | None | -1148 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1912 | 34 | 19 | 19 | 3.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](CCCCNC(=O)C[S+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)NC(=O)C[S+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | ||
| CHEMBL3647693 | 125235 | 0 | None | -1148 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 1912 | 34 | 19 | 19 | 3.8 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC[C@H](CCCCNC(=O)C[S+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)NC(=O)C[S+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O | nan | ||
| 44385591 | 130852 | 0 | None | -38 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 488 | 7 | 3 | 2 | 6.2 | O=C(Cc1cccc(C(F)(F)F)c1)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1 | 10.1016/s0960-894x(01)00107-x | ||
| CHEMBL368993 | 130852 | 0 | None | -38 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 488 | 7 | 3 | 2 | 6.2 | O=C(Cc1cccc(C(F)(F)F)c1)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1 | 10.1016/s0960-894x(01)00107-x | ||
| 142471832 | 189671 | 0 | None | -138 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 471 | 8 | 3 | 4 | 5.1 | Fc1ccc2c(Cc3nnc(Cc4c[nH]c5cc(F)ccc45)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| CHEMBL5175637 | 189671 | 0 | None | -138 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 471 | 8 | 3 | 4 | 5.1 | Fc1ccc2c(Cc3nnc(Cc4c[nH]c5cc(F)ccc45)n3CCCc3c[nH]cn3)c[nH]c2c1 | 10.1039/D1MD00044F | ||
| 10096510 | 57112 | 0 | None | -26 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 475 | 7 | 2 | 6 | 5.2 | CC(C)(C(=O)NC1CCCCC1)c1cn2cc(-c3csc4ccccc34)nc(CCCN)c2n1 | 10.1016/s0960-894x(01)00051-8 | ||
| CHEMBL165402 | 57112 | 0 | None | -26 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 475 | 7 | 2 | 6 | 5.2 | CC(C)(C(=O)NC1CCCCC1)c1cn2cc(-c3csc4ccccc34)nc(CCCN)c2n1 | 10.1016/s0960-894x(01)00051-8 | ||
| 168279197 | 190328 | 0 | None | -1621 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| CHEMBL5185547 | 190328 | 0 | None | -1621 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 444 | 9 | 2 | 5 | 4.4 | COc1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1 | 10.1039/D1MD00044F | ||
| 91809288 | 125230 | 0 | None | -562 | 6 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 1472 | 23 | 17 | 16 | 1.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCC[S@@+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | ||
| CHEMBL3647688 | 125230 | 0 | None | -562 | 6 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 1472 | 23 | 17 | 16 | 1.9 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NCC[S@@+]([O-])C[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | ||
| 91809312 | 125253 | 0 | None | -588 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 1754 | 28 | 17 | 18 | 6.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N(CCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | ||
| CHEMBL3647711 | 125253 | 0 | None | -588 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 1754 | 28 | 17 | 18 | 6.4 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N(CCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCSC[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | nan | ||
| 2030 | 3602 | 7 | None | -13 | 10 | Human | 8.1 | pKd | = | 8.1 | Binding | Guide to Pharmacology | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] | 15135911 | ||
| 5311377 | 3602 | 7 | None | -13 | 10 | Human | 8.1 | pKd | = | 8.1 | Binding | Guide to Pharmacology | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] | 15135911 | ||
| CHEMBL251541 | 3602 | 7 | None | -13 | 10 | Human | 8.1 | pKd | = | 8.1 | Binding | Guide to Pharmacology | 464 | 4 | 0 | 6 | 3.0 | COc1cccc2c1C[C@H]1C[C@H](CN([C@@H]1C2)C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] | 15135911 | ||
| 16161315 | 214315 | 0 | 125I-CGP23996 | -6 | 13 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214315 | 0 | 125I-Tyr11-SRIF | -6 | 13 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214315 | 0 | UNDEFINED | -6 | 13 | Human | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214315 | 0 | 125I-Tyr11-somatostatin | -3 | 13 | Rat | 10.0 | pKi | = | 10 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214315 | 0 | 125I-Tyr11-somatostatin-14 | -3 | 13 | Rat | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214315 | 0 | 125I-Tyr11-SRIF-14 | -6 | 13 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214315 | 0 | 125I-LTT-SST-28 | -6 | 13 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214315 | 0 | 125I-LTT-SST-28 | -6 | 13 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214315 | 0 | 125I-Tyr11-SRIF | -6 | 13 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214315 | 0 | 125I-SOMATOSTATIN 14 | -6 | 13 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214315 | 0 | 125I-SRIF | -6 | 13 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214315 | 0 | 125I-SRIF-28 | -6 | 13 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214315 | 0 | 125I-LTT-SRIF28 | -6 | 13 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214315 | 0 | 125I-LTT-SRIF28 | -6 | 13 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214315 | 0 | 125I-Tyr11-SRIF | -6 | 13 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214315 | 0 | 125I-Tyr10-CST14 | -6 | 13 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214315 | 0 | 125I-Tyr11-somatostatin-14 | -6 | 13 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214315 | 0 | 125I-LTT-SST-28 | -6 | 13 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214315 | 0 | 125I-CGP23996 | -6 | 13 | Human | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 2055 | 2851 | 43 | 125I-CGP23996 | -1047 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2055 | 2851 | 43 | 125I-LTT-SST-28 | -1047 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2055 | 2851 | 43 | 125I-Tyr11-SRIF | -1047 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2055 | 2851 | 43 | 125I-Tyr11-somatostatin-14 | -1047 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2851 | 43 | 125I-CGP23996 | -1047 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2851 | 43 | 125I-LTT-SST-28 | -1047 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2851 | 43 | 125I-Tyr11-SRIF | -1047 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2851 | 43 | 125I-Tyr11-somatostatin-14 | -1047 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2851 | 43 | 125I-CGP23996 | -1047 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2851 | 43 | 125I-LTT-SST-28 | -1047 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2851 | 43 | 125I-Tyr11-SRIF | -1047 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2851 | 43 | 125I-Tyr11-somatostatin-14 | -1047 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2851 | 43 | 125I-CGP23996 | -1047 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2851 | 43 | 125I-LTT-SST-28 | -1047 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2851 | 43 | 125I-Tyr11-SRIF | -1047 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2851 | 43 | 125I-Tyr11-somatostatin-14 | -1047 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2851 | 43 | 125I-CGP23996 | -1047 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2851 | 43 | 125I-LTT-SST-28 | -1047 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2851 | 43 | 125I-Tyr11-SRIF | -1047 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2851 | 43 | 125I-Tyr11-somatostatin-14 | -1047 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2851 | 43 | 125I-CGP23996 | -1047 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2851 | 43 | 125I-LTT-SST-28 | -1047 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2851 | 43 | 125I-Tyr11-SRIF | -1047 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2851 | 43 | 125I-Tyr11-somatostatin-14 | -1047 | 14 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2054 | 3899 | 11 | 125I-LTT-SST-28 | -741 | 11 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2054 | 3899 | 11 | UNDEFINED | -741 | 11 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 71306 | 3899 | 11 | 125I-LTT-SST-28 | -741 | 11 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 71306 | 3899 | 11 | UNDEFINED | -741 | 11 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL264186 | 3899 | 11 | 125I-LTT-SST-28 | -741 | 11 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL264186 | 3899 | 11 | UNDEFINED | -741 | 11 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL3349523 | 3899 | 11 | 125I-LTT-SST-28 | -741 | 11 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL3349523 | 3899 | 11 | UNDEFINED | -741 | 11 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB04894 | 3899 | 11 | 125I-LTT-SST-28 | -741 | 11 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB04894 | 3899 | 11 | UNDEFINED | -741 | 11 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 214316 | 0 | 125I-CGP23996 | -19054 | 12 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | ||
| None | 214316 | 0 | 125I-LTT-SST-28 | -19054 | 12 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | ||
| None | 214316 | 0 | 125I-SOMATOSTATIN | -19054 | 12 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | ||
| None | 214316 | 0 | 125I-SRIF | -19054 | 12 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | ||
| None | 214316 | 0 | 125I-SRIF-28 | -19054 | 12 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | ||
| None | 214316 | 0 | 125I-Tyr11-SRIF | -19054 | 12 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | ||
| None | 214316 | 0 | 125I-Tyr11-somatostatin-14 | -19054 | 12 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | ||
| 13105142 | 214317 | 0 | UNDEFINED | -30199 | 5 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 808 | 11 | 8 | 8 | 2.0 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O | None | ||
| None | 214316 | 0 | 125I-LTT-SST-28 | -19054 | 12 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | ||
| None | 214316 | 0 | 125I-Tyr11-SRIF | -19054 | 12 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 868 | 11 | 9 | 9 | 2.1 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O.CC(=O)O | None | ||
| 13105142 | 214317 | 0 | 125I-CGP23996 | -30199 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 808 | 11 | 8 | 8 | 2.0 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O | None | ||
| 13105142 | 214317 | 0 | 125I-LTT-SRIF28 | -30199 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 808 | 11 | 8 | 8 | 2.0 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O | None | ||
| 13105142 | 214317 | 0 | 125I-Tyr10-CST14 | -30199 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 808 | 11 | 8 | 8 | 2.0 | CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)C(C)C)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O | None | ||
| None | 214587 | 0 | 125I-LTT-SST-28 | -93 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 584 | 17 | 5 | 8 | 2.8 | CCCCC(C(=O)NC(CCCCN)C(=O)OC)NC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] | None | ||
| 2054 | 3899 | 11 | 125I-Tyr10-CST14 | -741 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 71306 | 3899 | 11 | 125I-Tyr10-CST14 | -741 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL264186 | 3899 | 11 | 125I-Tyr10-CST14 | -741 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL3349523 | 3899 | 11 | 125I-Tyr10-CST14 | -741 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB04894 | 3899 | 11 | 125I-Tyr10-CST14 | -741 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2054 | 3899 | 11 | 125I-Tyr10-CST14 | -741 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 71306 | 3899 | 11 | 125I-Tyr10-CST14 | -741 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL264186 | 3899 | 11 | 125I-Tyr10-CST14 | -741 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL3349523 | 3899 | 11 | 125I-Tyr10-CST14 | -741 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB04894 | 3899 | 11 | 125I-Tyr10-CST14 | -741 | 11 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2055 | 2851 | 43 | 125I-Tyr11-somatostatin-14 | -1047 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2851 | 43 | 125I-Tyr11-somatostatin-14 | -1047 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2851 | 43 | 125I-Tyr11-somatostatin-14 | -1047 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2851 | 43 | 125I-Tyr11-somatostatin-14 | -1047 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2851 | 43 | 125I-Tyr11-somatostatin-14 | -1047 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2851 | 43 | 125I-Tyr11-somatostatin-14 | -1047 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2055 | 2851 | 43 | 125I-Tyr11-SRIF | -1047 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2851 | 43 | 125I-Tyr11-SRIF | -1047 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2851 | 43 | 125I-Tyr11-SRIF | -1047 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2851 | 43 | 125I-Tyr11-SRIF | -1047 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2851 | 43 | 125I-Tyr11-SRIF | -1047 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2851 | 43 | 125I-Tyr11-SRIF | -1047 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 214587 | 0 | 125I-LTT-SST-28 | -93 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 584 | 17 | 5 | 8 | 2.8 | CCCCC(C(=O)NC(CCCCN)C(=O)OC)NC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] | None | ||
| None | 214587 | 0 | UNDEFINED | -93 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 584 | 17 | 5 | 8 | 2.8 | CCCCC(C(=O)NC(CCCCN)C(=O)OC)NC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-] | None | ||
| 2054 | 3899 | 11 | 125I-SRIF-28 | -741 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2054 | 3899 | 11 | 125I-Tyr11-SRIF | -741 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 71306 | 3899 | 11 | 125I-SRIF-28 | -741 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 71306 | 3899 | 11 | 125I-Tyr11-SRIF | -741 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL264186 | 3899 | 11 | 125I-SRIF-28 | -741 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL264186 | 3899 | 11 | 125I-Tyr11-SRIF | -741 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL3349523 | 3899 | 11 | 125I-SRIF-28 | -741 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL3349523 | 3899 | 11 | 125I-Tyr11-SRIF | -741 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB04894 | 3899 | 11 | 125I-SRIF-28 | -741 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB04894 | 3899 | 11 | 125I-Tyr11-SRIF | -741 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2054 | 3899 | 11 | 125I-SRIF | -741 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 71306 | 3899 | 11 | 125I-SRIF | -741 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL264186 | 3899 | 11 | 125I-SRIF | -741 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL3349523 | 3899 | 11 | 125I-SRIF | -741 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB04894 | 3899 | 11 | 125I-SRIF | -741 | 11 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 214585 | 0 | 125I-Tyr11-somatostatin-14 | -112 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 1077 | 14 | 12 | 13 | 0.6 | CC(C1C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)N)C(=O)N)CC6=CC=CC=C6)O | None | ||
| None | 214585 | 0 | UNDEFINED | -112 | 9 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 1077 | 14 | 12 | 13 | 0.6 | CC(C1C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)N)C(=O)N)CC6=CC=CC=C6)O | None | ||
| None | 214588 | 0 | 125I-LTT-SST-28 | -537 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 485 | 11 | 4 | 4 | 3.1 | COC(=O)C(CCCN=C(N)N)NC(=O)CCCC1=C(NC2=C(C=C(C=C12)F)F)C3=CC=CC=C3 | None | ||
| None | 214588 | 0 | UNDEFINED | -537 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 485 | 11 | 4 | 4 | 3.1 | COC(=O)C(CCCN=C(N)N)NC(=O)CCCC1=C(NC2=C(C=C(C=C12)F)F)C3=CC=CC=C3 | None | ||
| 16161315 | 214315 | 0 | 125I-Tyr11-SRIF | -6 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214315 | 0 | 125I-Tyr11-somatostatin-14 | -6 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214315 | 0 | 125I-SOMATOSTATIN | -6 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 16161315 | 214315 | 0 | 125I-Tyr11-somatostatin-14 | -6 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 2055 | 2851 | 43 | 125I-LTT-SRIF28 | -1047 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2851 | 43 | 125I-LTT-SRIF28 | -1047 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2851 | 43 | 125I-LTT-SRIF28 | -1047 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2851 | 43 | 125I-LTT-SRIF28 | -1047 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2851 | 43 | 125I-LTT-SRIF28 | -1047 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2851 | 43 | 125I-LTT-SRIF28 | -1047 | 14 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2054 | 3899 | 11 | 125I-CGP23996 | -741 | 11 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 71306 | 3899 | 11 | 125I-CGP23996 | -741 | 11 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL264186 | 3899 | 11 | 125I-CGP23996 | -741 | 11 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL3349523 | 3899 | 11 | 125I-CGP23996 | -741 | 11 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB04894 | 3899 | 11 | 125I-CGP23996 | -741 | 11 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2055 | 2851 | 43 | 125I-LTT-SST-28 | -1047 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2851 | 43 | 125I-LTT-SST-28 | -1047 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2851 | 43 | 125I-LTT-SST-28 | -1047 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2851 | 43 | 125I-LTT-SST-28 | -1047 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2851 | 43 | 125I-LTT-SST-28 | -1047 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2851 | 43 | 125I-LTT-SST-28 | -1047 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2055 | 2851 | 43 | 125I-SRIF-28 | -1047 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2851 | 43 | 125I-SRIF-28 | -1047 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2851 | 43 | 125I-SRIF-28 | -1047 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2851 | 43 | 125I-SRIF-28 | -1047 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2851 | 43 | 125I-SRIF-28 | -1047 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2851 | 43 | 125I-SRIF-28 | -1047 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2055 | 2851 | 43 | 125I-SOMATOSTATIN 14 | -1047 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2055 | 2851 | 43 | 125I-SRIF | -1047 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2851 | 43 | 125I-SOMATOSTATIN 14 | -1047 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2851 | 43 | 125I-SRIF | -1047 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2851 | 43 | 125I-SOMATOSTATIN 14 | -1047 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2851 | 43 | 125I-SRIF | -1047 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2851 | 43 | 125I-SOMATOSTATIN 14 | -1047 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2851 | 43 | 125I-SRIF | -1047 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2851 | 43 | 125I-SOMATOSTATIN 14 | -1047 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2851 | 43 | 125I-SRIF | -1047 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2851 | 43 | 125I-SOMATOSTATIN 14 | -1047 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2851 | 43 | 125I-SRIF | -1047 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 214586 | 0 | 125I-LTT-SST-28 | -54954 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 585 | 8 | 5 | 5 | 4.2 | CC(C1=CNC2=CC=CC=C21)C(C(=O)NCC3CCCC(C3)CN)NC(=O)N4CCC(CC4)N5C6=CC=CC=C6NC5=O | None | ||
| None | 214586 | 0 | UNDEFINED | -54954 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 585 | 8 | 5 | 5 | 4.2 | CC(C1=CNC2=CC=CC=C21)C(C(=O)NCC3CCCC(C3)CN)NC(=O)N4CCC(CC4)N5C6=CC=CC=C6NC5=O | None | ||
| 2055 | 2851 | 43 | UNDEFINED | -1047 | 14 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2851 | 43 | UNDEFINED | -1047 | 14 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2851 | 43 | UNDEFINED | -1047 | 14 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2851 | 43 | UNDEFINED | -1047 | 14 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2851 | 43 | UNDEFINED | -1047 | 14 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2851 | 43 | UNDEFINED | -1047 | 14 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 214589 | 0 | 125I-LTT-SST-28 | -4 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 536 | 11 | 4 | 5 | 5.2 | CC(COC(=O)C(CCCCN)NC(=O)CC1=C(NC2=C1C=CC3=CC=CC=C32)C4=CC5=CC=CC=C5C=C4)N | None | ||
| None | 214589 | 0 | UNDEFINED | -4 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 536 | 11 | 4 | 5 | 5.2 | CC(COC(=O)C(CCCCN)NC(=O)CC1=C(NC2=C1C=CC3=CC=CC=C32)C4=CC5=CC=CC=C5C=C4)N | None | ||
| 2055 | 2851 | 43 | 125I-Tyr10-CST14 | -1047 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2851 | 43 | 125I-Tyr10-CST14 | -1047 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2851 | 43 | 125I-Tyr10-CST14 | -1047 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2851 | 43 | 125I-Tyr10-CST14 | -1047 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2851 | 43 | 125I-Tyr10-CST14 | -1047 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2851 | 43 | 125I-Tyr10-CST14 | -1047 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2055 | 2851 | 43 | 125I-Tyr10-CST14 | -1047 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2851 | 43 | 125I-Tyr10-CST14 | -1047 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2851 | 43 | 125I-Tyr10-CST14 | -1047 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2851 | 43 | 125I-Tyr10-CST14 | -1047 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2851 | 43 | 125I-Tyr10-CST14 | -1047 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2851 | 43 | 125I-Tyr10-CST14 | -1047 | 14 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 16161315 | 214315 | 0 | 125I-Tyr11-SRIF | -3 | 13 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 2054 | 3899 | 11 | 125I-SOMATOSTATIN | -741 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 71306 | 3899 | 11 | 125I-SOMATOSTATIN | -741 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL264186 | 3899 | 11 | 125I-SOMATOSTATIN | -741 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL3349523 | 3899 | 11 | 125I-SOMATOSTATIN | -741 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB04894 | 3899 | 11 | 125I-SOMATOSTATIN | -741 | 11 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2031 | 2232 | 0 | UNDEFINED | -851 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 71349 | 2232 | 0 | UNDEFINED | -851 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB06791 | 2232 | 0 | UNDEFINED | -851 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 214744 | 0 | 125I-LTT-SST-28 | -11220 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 214585 | 0 | 125I-SOMATOSTATIN | -112 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 1077 | 14 | 12 | 13 | 0.6 | CC(C1C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)N)C(=O)N)CC6=CC=CC=C6)O | None | ||
| 2055 | 2851 | 43 | 125I-CGP23996 | -1047 | 14 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2851 | 43 | 125I-CGP23996 | -1047 | 14 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2851 | 43 | 125I-CGP23996 | -1047 | 14 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2851 | 43 | 125I-CGP23996 | -1047 | 14 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2851 | 43 | 125I-CGP23996 | -1047 | 14 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2851 | 43 | 125I-CGP23996 | -1047 | 14 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2055 | 2851 | 43 | None | -1047 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
| 383414 | 2851 | 43 | None | -1047 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
| 90488715 | 2851 | 43 | None | -1047 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
| CHEMBL1680 | 2851 | 43 | None | -1047 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
| CHEMBL262746 | 2851 | 43 | None | -1047 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
| DB00104 | 2851 | 43 | None | -1047 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | None | None | None | None | None | ||||
| 2054 | 3899 | 11 | 125I-LTT-SRIF28 | -741 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 71306 | 3899 | 11 | 125I-LTT-SRIF28 | -741 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL264186 | 3899 | 11 | 125I-LTT-SRIF28 | -741 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL3349523 | 3899 | 11 | 125I-LTT-SRIF28 | -741 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB04894 | 3899 | 11 | 125I-LTT-SRIF28 | -741 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2054 | 3899 | 11 | 125I-LTT-SRIF28 | -741 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 71306 | 3899 | 11 | 125I-LTT-SRIF28 | -741 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL264186 | 3899 | 11 | 125I-LTT-SRIF28 | -741 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL3349523 | 3899 | 11 | 125I-LTT-SRIF28 | -741 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB04894 | 3899 | 11 | 125I-LTT-SRIF28 | -741 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2055 | 2851 | 43 | 125I-SOMATOSTATIN | -1047 | 14 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 383414 | 2851 | 43 | 125I-SOMATOSTATIN | -1047 | 14 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 90488715 | 2851 | 43 | 125I-SOMATOSTATIN | -1047 | 14 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL1680 | 2851 | 43 | 125I-SOMATOSTATIN | -1047 | 14 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL262746 | 2851 | 43 | 125I-SOMATOSTATIN | -1047 | 14 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00104 | 2851 | 43 | 125I-SOMATOSTATIN | -1047 | 14 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 16161315 | 214315 | 0 | None | -6 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 1637 | 26 | 22 | 23 | -4.9 | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N | None | ||
| 2028 | 1473 | 0 | None | -2238 | 6 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | None | None | None | None | 12616335 | ||||
| 2029 | 2333 | 0 | None | -281 | 6 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 12616335 | ||||
| 2014 | 2175 | 0 | None | -281 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| 2014 | 2175 | 0 | None | -281 | 9 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||
| 2017 | 2693 | 0 | None | -10 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | ||||
| 16130961 | 876 | 0 | None | -5 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| 16130961 | 876 | 0 | None | -5 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | ||||
| 16130961 | 876 | 0 | None | -5 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||
| 2005 | 876 | 0 | None | -5 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| 2005 | 876 | 0 | None | -5 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | ||||
| 2005 | 876 | 0 | None | -5 | 6 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||
| 2015 | 2217 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 607 | 16 | 3 | 4 | 6.2 | NCCC(CC(CNC(=O)[C@@H](Cc1cccc2c1cccc2)NC(=O)N(CCc1ccccn1)CCc1ccccc1)(C)C)C | 9784130 | ||
| 9938757 | 2217 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 607 | 16 | 3 | 4 | 6.2 | NCCC(CC(CNC(=O)[C@@H](Cc1cccc2c1cccc2)NC(=O)N(CCc1ccccn1)CCc1ccccc1)(C)C)C | 9784130 | ||
| 154734381 | 215975 | 0 | None | 1 | 9 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 1095 | 17 | 13 | 14 | 0.8 | CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](N)CC1=CC=C2C=CC=CC2=C1 | None | ||
| 2007 | 1143 | 0 | None | -12 | 6 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| 2007 | 1143 | 0 | None | -12 | 6 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||
| 2004 | 635 | 0 | None | -4 | 7 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| 2004 | 635 | 0 | None | -4 | 7 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | ||||
| 2004 | 635 | 0 | None | -4 | 7 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||
| 2016 | 2220 | 3 | None | -7 | 2 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 536 | 11 | 4 | 5 | 5.2 | NCCCC[C@@H](C(=O)OC[C@@H](N)C)NC(=O)Cc1c([nH]c2c1ccc1c2cccc1)c1ccc2c(c1)cccc2 | 9784130 | ||
| 5311375 | 2220 | 3 | None | -7 | 2 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 536 | 11 | 4 | 5 | 5.2 | NCCCC[C@@H](C(=O)OC[C@@H](N)C)NC(=O)Cc1c([nH]c2c1ccc1c2cccc1)c1ccc2c(c1)cccc2 | 9784130 | ||
| CHEMBL252764 | 2220 | 3 | None | -7 | 2 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 536 | 11 | 4 | 5 | 5.2 | NCCCC[C@@H](C(=O)OC[C@@H](N)C)NC(=O)Cc1c([nH]c2c1ccc1c2cccc1)c1ccc2c(c1)cccc2 | 9784130 | ||
| 16133849 | 3606 | 10 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| 16133849 | 3606 | 10 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | ||||
| 16133849 | 3606 | 10 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | ||||
| 16133849 | 3606 | 10 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | ||||
| 16133849 | 3606 | 10 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | ||||
| 16133849 | 3606 | 10 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||
| 2020 | 3606 | 10 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| 2020 | 3606 | 10 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | ||||
| 2020 | 3606 | 10 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | ||||
| 2020 | 3606 | 10 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | ||||
| 2020 | 3606 | 10 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | ||||
| 2020 | 3606 | 10 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||
| 91935900 | 3606 | 10 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| 91935900 | 3606 | 10 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | ||||
| 91935900 | 3606 | 10 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | ||||
| 91935900 | 3606 | 10 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | ||||
| 91935900 | 3606 | 10 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | ||||
| 91935900 | 3606 | 10 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||
| CHEMBL501796 | 3606 | 10 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| CHEMBL501796 | 3606 | 10 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | ||||
| CHEMBL501796 | 3606 | 10 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | ||||
| CHEMBL501796 | 3606 | 10 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | ||||
| CHEMBL501796 | 3606 | 10 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | ||||
| CHEMBL501796 | 3606 | 10 | None | -7 | 9 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||
| 2019 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| 2019 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 11520208 | ||||
| 2019 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | ||||
| 2019 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | ||||
| 2019 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | ||||
| 2019 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | ||||
| 2019 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||
| 2019 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | ||||
| 2019 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9784130 | ||||
| 44386062 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| 44386062 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 11520208 | ||||
| 44386062 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | ||||
| 44386062 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | ||||
| 44386062 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | ||||
| 44386062 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | ||||
| 44386062 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||
| 44386062 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | ||||
| 44386062 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9784130 | ||||
| CHEMBL440072 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| CHEMBL440072 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 11520208 | ||||
| CHEMBL440072 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | ||||
| CHEMBL440072 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 7988476 | ||||
| CHEMBL440072 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8769372 | ||||
| CHEMBL440072 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9600011 | ||||
| CHEMBL440072 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||
| CHEMBL440072 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9724791 | ||||
| CHEMBL440072 | 3605 | 0 | None | -4 | 10 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9784130 | ||||
| 2008 | 1181 | 0 | None | 1 | 6 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 10598788 | ||||
| 2008 | 1181 | 0 | None | 1 | 6 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 15333679 | ||||
| 2008 | 1181 | 0 | None | 1 | 6 | Human | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 9650799 | ||||