Ligand source activities (1 row/activity)
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Activity | Chemical information | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID |
Reference ligand |
Vendors |
Species |
Assay Type |
Activity Type |
Activity Relation |
Activity Value |
p-value (-log) |
Fold selectivity |
Tested GPCRs |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
|
| 16133225 | 419 | None | 38 | Human | Functional | pEC50 | = | 9.3 | 9.3 | -5 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
| 172198 | 419 | None | 38 | Human | Functional | pEC50 | = | 9.3 | 9.3 | -5 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
| 172198.0 | 419 | None | 38 | Human | Functional | pEC50 | = | 9.3 | 9.3 | -5 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
| 2504 | 419 | None | 38 | Human | Functional | pEC50 | = | 9.3 | 9.3 | -5 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
| 45266664 | 419 | None | 38 | Human | Functional | pEC50 | = | 9.3 | 9.3 | -5 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
| 5272 | 419 | None | 38 | Human | Functional | pEC50 | = | 9.3 | 9.3 | -5 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
| CHEMBL408403 | 419 | None | 38 | Human | Functional | pEC50 | = | 9.3 | 9.3 | -5 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
| DB11842 | 419 | None | 38 | Human | Functional | pEC50 | = | 9.3 | 9.3 | -5 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
| 16133225 | 419 | None | 38 | Human | Functional | pEC50 | = | 9.3 | 9.3 | -5 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
| 172198 | 419 | None | 38 | Human | Functional | pEC50 | = | 9.3 | 9.3 | -5 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
| 172198.0 | 419 | None | 38 | Human | Functional | pEC50 | = | 9.3 | 9.3 | -5 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
| 2504 | 419 | None | 38 | Human | Functional | pEC50 | = | 9.3 | 9.3 | -5 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
| 45266664 | 419 | None | 38 | Human | Functional | pEC50 | = | 9.3 | 9.3 | -5 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
| 5272 | 419 | None | 38 | Human | Functional | pEC50 | = | 9.3 | 9.3 | -5 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
| CHEMBL408403 | 419 | None | 38 | Human | Functional | pEC50 | = | 9.3 | 9.3 | -5 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
| DB11842 | 419 | None | 38 | Human | Functional | pEC50 | = | 9.3 | 9.3 | -5 | 4 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01495 | |||||
| 127030943 | 139282 | None | 0 | Human | Functional | pEC50 | = | 9.0 | 9.0 | - | 1 | ChEMBL | 1216 | 35 | 15 | 14 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787243 | 139282 | None | 0 | Human | Functional | pEC50 | = | 9.0 | 9.0 | - | 1 | ChEMBL | 1216 | 35 | 15 | 14 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787375 | 139282 | None | 0 | Human | Functional | pEC50 | = | 9.0 | 9.0 | - | 1 | ChEMBL | 1216 | 35 | 15 | 14 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787700 | 139282 | None | 0 | Human | Functional | pEC50 | = | 9.0 | 9.0 | - | 1 | ChEMBL | 1216 | 35 | 15 | 14 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C | 10.1021/acs.jmedchem.5b01495 | |||
| 127030943 | 139282 | None | 0 | Human | Functional | pEC50 | = | 9.0 | 9.0 | - | 1 | ChEMBL | 1216 | 35 | 15 | 14 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787243 | 139282 | None | 0 | Human | Functional | pEC50 | = | 9.0 | 9.0 | - | 1 | ChEMBL | 1216 | 35 | 15 | 14 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787375 | 139282 | None | 0 | Human | Functional | pEC50 | = | 9.0 | 9.0 | - | 1 | ChEMBL | 1216 | 35 | 15 | 14 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787700 | 139282 | None | 0 | Human | Functional | pEC50 | = | 9.0 | 9.0 | - | 1 | ChEMBL | 1216 | 35 | 15 | 14 | -0.7 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C | 10.1021/acs.jmedchem.5b01495 | |||
| 16133225 | 419 | None | 38 | Rat | Functional | pEC50 | = | 8.9 | 8.9 | -6 | 4 | ChEMBL | None | None | None | None | nan | |||||
| 172198 | 419 | None | 38 | Rat | Functional | pEC50 | = | 8.9 | 8.9 | -6 | 4 | ChEMBL | None | None | None | None | nan | |||||
| 172198.0 | 419 | None | 38 | Rat | Functional | pEC50 | = | 8.9 | 8.9 | -6 | 4 | ChEMBL | None | None | None | None | nan | |||||
| 2504 | 419 | None | 38 | Rat | Functional | pEC50 | = | 8.9 | 8.9 | -6 | 4 | ChEMBL | None | None | None | None | nan | |||||
| 45266664 | 419 | None | 38 | Rat | Functional | pEC50 | = | 8.9 | 8.9 | -6 | 4 | ChEMBL | None | None | None | None | nan | |||||
| 5272 | 419 | None | 38 | Rat | Functional | pEC50 | = | 8.9 | 8.9 | -6 | 4 | ChEMBL | None | None | None | None | nan | |||||
| CHEMBL408403 | 419 | None | 38 | Rat | Functional | pEC50 | = | 8.9 | 8.9 | -6 | 4 | ChEMBL | None | None | None | None | nan | |||||
| DB11842 | 419 | None | 38 | Rat | Functional | pEC50 | = | 8.9 | 8.9 | -6 | 4 | ChEMBL | None | None | None | None | nan | |||||
| 127029976 | 139304 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 1160 | 33 | 15 | 14 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN/C(N)=N/C(=O)NCCCCN)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3786145 | 139304 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 1160 | 33 | 15 | 14 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN/C(N)=N/C(=O)NCCCCN)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787767 | 139304 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 1160 | 33 | 15 | 14 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN/C(N)=N/C(=O)NCCCCN)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| 127029976 | 139304 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 1160 | 33 | 15 | 14 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN/C(N)=N/C(=O)NCCCCN)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3786145 | 139304 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 1160 | 33 | 15 | 14 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN/C(N)=N/C(=O)NCCCCN)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787767 | 139304 | None | 0 | Human | Functional | pEC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 1160 | 33 | 15 | 14 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN/C(N)=N/C(=O)NCCCCN)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| 155564502 | 175364 | None | 0 | Rat | Functional | pEC50 | = | 7 | 7.0 | 2 | 2 | ChEMBL | 2296 | 33 | 30 | 27 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC1=O | nan | |||
| CHEMBL4572408 | 175364 | None | 0 | Rat | Functional | pEC50 | = | 7 | 7.0 | 2 | 2 | ChEMBL | 2296 | 33 | 30 | 27 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC1=O | nan | |||
| 11943 | 3875 | None | 0 | Rat | Functional | pEC50 | = | 8.0 | 8.0 | 14 | 2 | ChEMBL | None | None | None | None | nan | |||||
| 145925549 | 3875 | None | 0 | Rat | Functional | pEC50 | = | 8.0 | 8.0 | 14 | 2 | ChEMBL | None | None | None | None | nan | |||||
| CHEMBL4438122 | 3875 | None | 0 | Rat | Functional | pEC50 | = | 8.0 | 8.0 | 14 | 2 | ChEMBL | None | None | None | None | nan | |||||
| 155558059 | 174787 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -5 | 2 | ChEMBL | 790 | 23 | 12 | 11 | -4.6 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O)C(C)C)C(C)C | nan | |||
| CHEMBL4559239 | 174787 | None | 0 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -5 | 2 | ChEMBL | 790 | 23 | 12 | 11 | -4.6 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O)C(C)C)C(C)C | nan | |||
| 155541440 | 173122 | None | 0 | Rat | Functional | pEC50 | = | 7.9 | 7.9 | -1 | 2 | ChEMBL | 954 | 28 | 13 | 12 | -1.1 | CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(=O)O | nan | |||
| CHEMBL4518530 | 173122 | None | 0 | Rat | Functional | pEC50 | = | 7.9 | 7.9 | -1 | 2 | ChEMBL | 954 | 28 | 13 | 12 | -1.1 | CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(=O)O | nan | |||
| 11316919 | 3068 | None | 31 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -2 | 8 | ChEMBL | 451 | 4 | 0 | 4 | 5.3 | Clc1c(cccc1)n1nc2C(=O)N(CCOc2c1c1ccc(cc1)Cl)CC(C)(F)F | 10.6019/CHEMBL5442687 | |||
| 11693 | 3068 | None | 31 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -2 | 8 | ChEMBL | 451 | 4 | 0 | 4 | 5.3 | Clc1c(cccc1)n1nc2C(=O)N(CCOc2c1c1ccc(cc1)Cl)CC(C)(F)F | 10.6019/CHEMBL5442687 | |||
| CHEMBL484929 | 3068 | None | 31 | Human | Functional | pEC50 | = | 5.9 | 5.9 | -2 | 8 | ChEMBL | 451 | 4 | 0 | 4 | 5.3 | Clc1c(cccc1)n1nc2C(=O)N(CCOc2c1c1ccc(cc1)Cl)CC(C)(F)F | 10.6019/CHEMBL5442687 | |||
| 155541295 | 173114 | None | 0 | Rat | Functional | pEC50 | = | 7.9 | 7.9 | 4 | 2 | ChEMBL | 926 | 25 | 12 | 12 | -2.0 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| CHEMBL4518318 | 173114 | None | 0 | Rat | Functional | pEC50 | = | 7.9 | 7.9 | 4 | 2 | ChEMBL | 926 | 25 | 12 | 12 | -2.0 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| 155540639 | 173036 | None | 0 | Rat | Functional | pEC50 | = | 5.9 | 5.9 | -1 | 2 | ChEMBL | 947 | 25 | 14 | 13 | -2.5 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| CHEMBL4516768 | 173036 | None | 0 | Rat | Functional | pEC50 | = | 5.9 | 5.9 | -1 | 2 | ChEMBL | 947 | 25 | 14 | 13 | -2.5 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| CHEMBL2028943 | 211594 | None | 0 | Human | Functional | pEC50 | = | 6.8 | 6.8 | -1 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)O | nan | |||||
| 155553930 | 175545 | None | 0 | Rat | Functional | pEC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 1177 | 26 | 13 | 12 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4576650 | 175545 | None | 0 | Rat | Functional | pEC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 1177 | 26 | 13 | 12 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155540033 | 172993 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -2 | 2 | ChEMBL | 953 | 27 | 13 | 12 | -1.9 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(C)C)C(N)=O | nan | |||
| CHEMBL4515768 | 172993 | None | 0 | Human | Functional | pEC50 | = | 6.7 | 6.7 | -2 | 2 | ChEMBL | 953 | 27 | 13 | 12 | -1.9 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(C)C)C(N)=O | nan | |||
| 127029977 | 139305 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 1220 | 37 | 15 | 16 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN/C(N)=N/C(=O)NCCOCCOCCN)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3786986 | 139305 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 1220 | 37 | 15 | 16 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN/C(N)=N/C(=O)NCCOCCOCCN)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787768 | 139305 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 1220 | 37 | 15 | 16 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN/C(N)=N/C(=O)NCCOCCOCCN)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| 127029977 | 139305 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 1220 | 37 | 15 | 16 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN/C(N)=N/C(=O)NCCOCCOCCN)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3786986 | 139305 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 1220 | 37 | 15 | 16 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN/C(N)=N/C(=O)NCCOCCOCCN)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787768 | 139305 | None | 0 | Human | Functional | pEC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 1220 | 37 | 15 | 16 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN/C(N)=N/C(=O)NCCOCCOCCN)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O | 10.1021/acs.jmedchem.5b01495 | |||
| 127031545 | 139283 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 1276 | 39 | 15 | 16 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787379 | 139283 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 1276 | 39 | 15 | 16 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787701 | 139283 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 1276 | 39 | 15 | 16 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C | 10.1021/acs.jmedchem.5b01495 | |||
| 127031545 | 139283 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 1276 | 39 | 15 | 16 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787379 | 139283 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 1276 | 39 | 15 | 16 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C | 10.1021/acs.jmedchem.5b01495 | |||
| CHEMBL3787701 | 139283 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 1276 | 39 | 15 | 16 | -1.4 | CCC(=O)NCCOCCOCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C | 10.1021/acs.jmedchem.5b01495 | |||
| 16133225 | 419 | None | 38 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -5 | 4 | ChEMBL | None | None | None | None | nan | |||||
| 172198 | 419 | None | 38 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -5 | 4 | ChEMBL | None | None | None | None | nan | |||||
| 172198.0 | 419 | None | 38 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -5 | 4 | ChEMBL | None | None | None | None | nan | |||||
| 2504 | 419 | None | 38 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -5 | 4 | ChEMBL | None | None | None | None | nan | |||||
| 45266664 | 419 | None | 38 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -5 | 4 | ChEMBL | None | None | None | None | nan | |||||
| 5272 | 419 | None | 38 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -5 | 4 | ChEMBL | None | None | None | None | nan | |||||
| CHEMBL408403 | 419 | None | 38 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -5 | 4 | ChEMBL | None | None | None | None | nan | |||||
| DB11842 | 419 | None | 38 | Human | Functional | pEC50 | = | 8.6 | 8.6 | -5 | 4 | ChEMBL | None | None | None | None | nan | |||||
| 155541440 | 173122 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 1 | 2 | ChEMBL | 954 | 28 | 13 | 12 | -1.1 | CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(=O)O | nan | |||
| CHEMBL4518530 | 173122 | None | 0 | Human | Functional | pEC50 | = | 8.6 | 8.6 | 1 | 2 | ChEMBL | 954 | 28 | 13 | 12 | -1.1 | CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(=O)O | nan | |||
| 10533900 | 176073 | None | 11 | Rat | Functional | pEC50 | = | 7.7 | 7.7 | 10 | 2 | ChEMBL | 955 | 27 | 14 | 13 | -2.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O | nan | |||
| CHEMBL4588454 | 176073 | None | 11 | Rat | Functional | pEC50 | = | 7.7 | 7.7 | 10 | 2 | ChEMBL | 955 | 27 | 14 | 13 | -2.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O | nan | |||
| 155556507 | 174590 | None | 0 | Rat | Functional | pEC50 | = | 6.7 | 6.7 | 2 | 2 | ChEMBL | 910 | 26 | 12 | 11 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4554466 | 174590 | None | 0 | Rat | Functional | pEC50 | = | 6.7 | 6.7 | 2 | 2 | ChEMBL | 910 | 26 | 12 | 11 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155563538 | 175404 | None | 0 | Rat | Functional | pEC50 | = | 6.7 | 6.7 | -1 | 2 | ChEMBL | 925 | 26 | 13 | 12 | -2.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O | nan | |||
| CHEMBL4573250 | 175404 | None | 0 | Rat | Functional | pEC50 | = | 6.7 | 6.7 | -1 | 2 | ChEMBL | 925 | 26 | 13 | 12 | -2.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O | nan | |||
| 155559104 | 174910 | None | 0 | Rat | Functional | pEC50 | = | 7.6 | 7.6 | 2 | 2 | ChEMBL | 940 | 26 | 12 | 12 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O | nan | |||
| CHEMBL4562270 | 174910 | None | 0 | Rat | Functional | pEC50 | = | 7.6 | 7.6 | 2 | 2 | ChEMBL | 940 | 26 | 12 | 12 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O | nan | |||
| 155554865 | 174458 | None | 0 | Rat | Functional | pEC50 | = | 6.6 | 6.6 | 2 | 2 | ChEMBL | 2269 | 27 | 21 | 24 | 3.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC1=O | nan | |||
| CHEMBL4551317 | 174458 | None | 0 | Rat | Functional | pEC50 | = | 6.6 | 6.6 | 2 | 2 | ChEMBL | 2269 | 27 | 21 | 24 | 3.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC1=O | nan | |||
| 155540328 | 173004 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -3 | 2 | ChEMBL | 1017 | 28 | 14 | 13 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(N)=O | nan | |||
| CHEMBL4516066 | 173004 | None | 0 | Human | Functional | pEC50 | = | 6.6 | 6.6 | -3 | 2 | ChEMBL | 1017 | 28 | 14 | 13 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(N)=O | nan | |||
| 155553479 | 174282 | None | 0 | Rat | Functional | pEC50 | = | 6.6 | 6.6 | 3 | 2 | ChEMBL | 949 | 26 | 14 | 13 | -3.0 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| CHEMBL4547423 | 174282 | None | 0 | Rat | Functional | pEC50 | = | 6.6 | 6.6 | 3 | 2 | ChEMBL | 949 | 26 | 14 | 13 | -3.0 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| 155558003 | 174797 | None | 0 | Rat | Functional | pEC50 | = | 5.6 | 5.6 | 1 | 2 | ChEMBL | 1015 | 28 | 13 | 16 | -2.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4559421 | 174797 | None | 0 | Rat | Functional | pEC50 | = | 5.6 | 5.6 | 1 | 2 | ChEMBL | 1015 | 28 | 13 | 16 | -2.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155547428 | 173719 | None | 0 | Rat | Functional | pEC50 | = | 4.6 | 4.6 | -22 | 2 | ChEMBL | 959 | 26 | 13 | 12 | -1.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)c(Cl)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4533618 | 173719 | None | 0 | Rat | Functional | pEC50 | = | 4.6 | 4.6 | -22 | 2 | ChEMBL | 959 | 26 | 13 | 12 | -1.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)c(Cl)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155566196 | 175850 | None | 0 | Rat | Functional | pEC50 | = | 4.6 | 4.6 | -5 | 2 | ChEMBL | 954 | 26 | 13 | 12 | -1.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4583284 | 175850 | None | 0 | Rat | Functional | pEC50 | = | 4.6 | 4.6 | -5 | 2 | ChEMBL | 954 | 26 | 13 | 12 | -1.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155558428 | 174833 | None | 0 | Rat | Functional | pEC50 | = | 7.6 | 7.6 | 1 | 2 | ChEMBL | 897 | 26 | 15 | 12 | -3.8 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL4560224 | 174833 | None | 0 | Rat | Functional | pEC50 | = | 7.6 | 7.6 | 1 | 2 | ChEMBL | 897 | 26 | 15 | 12 | -3.8 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| 11944 | 3876 | None | 0 | Rat | Functional | pEC50 | = | 6.6 | 6.6 | 4 | 2 | ChEMBL | None | None | None | None | nan | |||||
| 155552190 | 3876 | None | 0 | Rat | Functional | pEC50 | = | 6.6 | 6.6 | 4 | 2 | ChEMBL | None | None | None | None | nan | |||||
| CHEMBL4544228 | 3876 | None | 0 | Rat | Functional | pEC50 | = | 6.6 | 6.6 | 4 | 2 | ChEMBL | None | None | None | None | nan | |||||
| CHEMBL77838 | 218368 | None | 5 | Rat | Functional | pEC50 | = | 8.5 | 8.5 | -1 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(C)C)C(=O)O | nan | |||||
| 155552475 | 174156 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 9 | 2 | ChEMBL | 947 | 25 | 14 | 13 | -2.5 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| CHEMBL4543860 | 174156 | None | 0 | Human | Functional | pEC50 | = | 8.4 | 8.4 | 9 | 2 | ChEMBL | 947 | 25 | 14 | 13 | -2.5 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| 155542907 | 173280 | None | 0 | Rat | Functional | pEC50 | = | 6.5 | 6.5 | 3 | 2 | ChEMBL | 904 | 24 | 13 | 12 | -1.5 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C | nan | |||
| CHEMBL4522038 | 173280 | None | 0 | Rat | Functional | pEC50 | = | 6.5 | 6.5 | 3 | 2 | ChEMBL | 904 | 24 | 13 | 12 | -1.5 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C | nan | |||
| CHEMBL2028943 | 211594 | None | 0 | Rat | Functional | pEC50 | = | 7.5 | 7.5 | 1 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)O | nan | |||||
| 155552475 | 174156 | None | 0 | Rat | Functional | pEC50 | = | 6.5 | 6.5 | -9 | 2 | ChEMBL | 947 | 25 | 14 | 13 | -2.5 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| CHEMBL4543860 | 174156 | None | 0 | Rat | Functional | pEC50 | = | 6.5 | 6.5 | -9 | 2 | ChEMBL | 947 | 25 | 14 | 13 | -2.5 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| 155556530 | 174615 | None | 0 | Rat | Functional | pEC50 | = | 7.5 | 7.5 | 2 | 2 | ChEMBL | 911 | 25 | 13 | 12 | -2.9 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C | nan | |||
| CHEMBL4555119 | 174615 | None | 0 | Rat | Functional | pEC50 | = | 7.5 | 7.5 | 2 | 2 | ChEMBL | 911 | 25 | 13 | 12 | -2.9 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C | nan | |||
| 155561376 | 175779 | None | 0 | Rat | Functional | pEC50 | = | 6.4 | 6.4 | 12 | 2 | ChEMBL | 917 | 28 | 12 | 11 | -1.4 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(N)=O | nan | |||
| CHEMBL4581718 | 175779 | None | 0 | Rat | Functional | pEC50 | = | 6.4 | 6.4 | 12 | 2 | ChEMBL | 917 | 28 | 12 | 11 | -1.4 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(N)=O | nan | |||
| 155541125 | 173068 | None | 0 | Rat | Functional | pEC50 | = | 7.4 | 7.4 | 6 | 2 | ChEMBL | 904 | 27 | 12 | 11 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(C)C)C(=O)O | nan | |||
| CHEMBL4517561 | 173068 | None | 0 | Rat | Functional | pEC50 | = | 7.4 | 7.4 | 6 | 2 | ChEMBL | 904 | 27 | 12 | 11 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(C)C)C(=O)O | nan | |||
| 24892627 | 55669 | None | 4 | Human | Functional | pEC50 | = | 4.2 | 4.2 | -5 | 2 | ChEMBL | 548 | 8 | 0 | 6 | 5.0 | Cc1ccc2nc(N(CCCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)sc2c1 | nan | |||
| CHEMBL1460676 | 55669 | None | 4 | Human | Functional | pEC50 | = | 4.2 | 4.2 | -5 | 2 | ChEMBL | 548 | 8 | 0 | 6 | 5.0 | Cc1ccc2nc(N(CCCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)sc2c1 | nan | |||
| CHEMBL1621632 | 55669 | None | 4 | Human | Functional | pEC50 | = | 4.2 | 4.2 | -5 | 2 | ChEMBL | 548 | 8 | 0 | 6 | 5.0 | Cc1ccc2nc(N(CCCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)sc2c1 | nan | |||
| 155558059 | 174787 | None | 0 | Rat | Functional | pEC50 | = | 7.2 | 7.2 | 5 | 2 | ChEMBL | 790 | 23 | 12 | 11 | -4.6 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O)C(C)C)C(C)C | nan | |||
| CHEMBL4559239 | 174787 | None | 0 | Rat | Functional | pEC50 | = | 7.2 | 7.2 | 5 | 2 | ChEMBL | 790 | 23 | 12 | 11 | -4.6 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O)C(C)C)C(C)C | nan | |||
| CHEMBL938 | 218397 | None | 23 | Rat | Functional | pEC50 | = | 8.2 | 8.2 | -10 | 4 | ChEMBL | None | None | None | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C | nan | |||||
| CHEMBL312754 | 213569 | None | 13 | Rat | Functional | pEC50 | = | 8.2 | 8.2 | 1 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O | nan | |||||
| 154573825 | 176093 | None | 11 | Rat | Functional | pEC50 | = | 8.2 | 8.2 | 8 | 2 | ChEMBL | 742 | 22 | 12 | 10 | -2.4 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)C(C)C)C(C)C | nan | |||
| CHEMBL4588946 | 176093 | None | 11 | Rat | Functional | pEC50 | = | 8.2 | 8.2 | 8 | 2 | ChEMBL | 742 | 22 | 12 | 10 | -2.4 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)C(C)C)C(C)C | nan | |||
| 155560463 | 175144 | None | 0 | Rat | Functional | pEC50 | = | 7.2 | 7.2 | -1 | 2 | ChEMBL | 1052 | 28 | 14 | 13 | -0.8 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O)C(C)C | nan | |||
| CHEMBL4567667 | 175144 | None | 0 | Rat | Functional | pEC50 | = | 7.2 | 7.2 | -1 | 2 | ChEMBL | 1052 | 28 | 14 | 13 | -0.8 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O)C(C)C | nan | |||
| 155553003 | 174180 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | 1 | 2 | ChEMBL | 791 | 23 | 12 | 11 | -4.0 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)C(C)C)C(C)C | nan | |||
| CHEMBL4544308 | 174180 | None | 0 | Human | Functional | pEC50 | = | 7.2 | 7.2 | 1 | 2 | ChEMBL | 791 | 23 | 12 | 11 | -4.0 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)C(C)C)C(C)C | nan | |||
| 10533900 | 176073 | None | 11 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -10 | 2 | ChEMBL | 955 | 27 | 14 | 13 | -2.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O | nan | |||
| CHEMBL4588454 | 176073 | None | 11 | Human | Functional | pEC50 | = | 6.2 | 6.2 | -10 | 2 | ChEMBL | 955 | 27 | 14 | 13 | -2.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O | nan | |||
| CHEMBL2392353 | 212873 | None | 5 | Rat | Functional | pEC50 | = | 8.1 | 8.1 | -50 | 3 | ChEMBL | None | None | None | None | nan | |||||
| 155553098 | 174214 | None | 0 | Rat | Functional | pEC50 | = | 8.1 | 8.1 | 22 | 2 | ChEMBL | 969 | 28 | 16 | 13 | -3.7 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| CHEMBL4545153 | 174214 | None | 0 | Rat | Functional | pEC50 | = | 8.1 | 8.1 | 22 | 2 | ChEMBL | 969 | 28 | 16 | 13 | -3.7 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| 1588251 | 59295 | None | 5 | Human | Functional | pEC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 436 | 4 | 0 | 5 | 5.8 | CCN1C(c2ccccc2)=C(c2ccccc2)S/C1=C\C=C1/SC(=S)N(C)C1=O | nan | |||
| CHEMBL1704271 | 59295 | None | 5 | Human | Functional | pEC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 436 | 4 | 0 | 5 | 5.8 | CCN1C(c2ccccc2)=C(c2ccccc2)S/C1=C\C=C1/SC(=S)N(C)C1=O | nan | |||
| 155540328 | 173004 | None | 0 | Rat | Functional | pEC50 | = | 7.1 | 7.1 | 3 | 2 | ChEMBL | 1017 | 28 | 14 | 13 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(N)=O | nan | |||
| CHEMBL4516066 | 173004 | None | 0 | Rat | Functional | pEC50 | = | 7.1 | 7.1 | 3 | 2 | ChEMBL | 1017 | 28 | 14 | 13 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(N)=O | nan | |||
| 155540033 | 172993 | None | 0 | Rat | Functional | pEC50 | = | 7.1 | 7.1 | 2 | 2 | ChEMBL | 953 | 27 | 13 | 12 | -1.9 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(C)C)C(N)=O | nan | |||
| CHEMBL4515768 | 172993 | None | 0 | Rat | Functional | pEC50 | = | 7.1 | 7.1 | 2 | 2 | ChEMBL | 953 | 27 | 13 | 12 | -1.9 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(C)C)C(N)=O | nan | |||
| 155539838 | 172998 | None | 0 | Rat | Functional | pEC50 | = | 8.1 | 8.1 | 1 | 2 | ChEMBL | 940 | 26 | 13 | 12 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4515848 | 172998 | None | 0 | Rat | Functional | pEC50 | = | 8.1 | 8.1 | 1 | 2 | ChEMBL | 940 | 26 | 13 | 12 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL2370909 | 212407 | None | 0 | Rat | Functional | pEC50 | = | 7.0 | 7.0 | 7 | 2 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)O | nan | |||||
| 155558784 | 174880 | None | 0 | Rat | Functional | pEC50 | = | 6.0 | 6.0 | -2 | 2 | ChEMBL | 756 | 9 | 7 | 8 | 1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC1=O | nan | |||
| CHEMBL4561366 | 174880 | None | 0 | Rat | Functional | pEC50 | = | 6.0 | 6.0 | -2 | 2 | ChEMBL | 756 | 9 | 7 | 8 | 1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC1=O | nan | |||
| 154573825 | 176093 | None | 11 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -8 | 2 | ChEMBL | 742 | 22 | 12 | 10 | -2.4 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)C(C)C)C(C)C | nan | |||
| CHEMBL4588946 | 176093 | None | 11 | Human | Functional | pEC50 | = | 7.0 | 7.0 | -8 | 2 | ChEMBL | 742 | 22 | 12 | 10 | -2.4 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)C(C)C)C(C)C | nan | |||
| 155553003 | 174180 | None | 0 | Rat | Functional | pEC50 | = | 7.0 | 7.0 | -1 | 2 | ChEMBL | 791 | 23 | 12 | 11 | -4.0 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)C(C)C)C(C)C | nan | |||
| CHEMBL4544308 | 174180 | None | 0 | Rat | Functional | pEC50 | = | 7.0 | 7.0 | -1 | 2 | ChEMBL | 791 | 23 | 12 | 11 | -4.0 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)C(C)C)C(C)C | nan | |||
| 3025727 | 184186 | None | 6 | Rabbit | Functional | pIC50 | = | 10.3 | 10.3 | 10000 | 2 | ChEMBL | 452 | 8 | 2 | 6 | 5.0 | CCCCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL48242 | 184186 | None | 6 | Rabbit | Functional | pIC50 | = | 10.3 | 10.3 | 10000 | 2 | ChEMBL | 452 | 8 | 2 | 6 | 5.0 | CCCCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| 14971704 | 112448 | None | 0 | Rabbit | Functional | pIC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | 546 | 9 | 2 | 6 | 6.7 | CCCCc1nn(-c2c(Cl)cccc2Cl)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL329616 | 112448 | None | 0 | Rabbit | Functional | pIC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | 546 | 9 | 2 | 6 | 6.7 | CCCCc1nn(-c2c(Cl)cccc2Cl)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 133031 | 100913 | None | 21 | Human | Functional | pIC50 | = | 9.7 | 9.7 | 1 | 3 | ChEMBL | 524 | 7 | 1 | 6 | 5.4 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1 | 10.1021/jm1013693 | |||
| CHEMBL293511 | 100913 | None | 21 | Human | Functional | pIC50 | = | 9.7 | 9.7 | 1 | 3 | ChEMBL | 524 | 7 | 1 | 6 | 5.4 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1 | 10.1021/jm1013693 | |||
| 9892554 | 100248 | None | 5 | Rabbit | Functional | pIC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | 510 | 9 | 1 | 8 | 3.5 | CCCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL288246 | 100248 | None | 5 | Rabbit | Functional | pIC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | 510 | 9 | 1 | 8 | 3.5 | CCCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| 14971715 | 168339 | None | 0 | Rabbit | Functional | pIC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | 492 | 10 | 2 | 6 | 5.4 | CCCCc1nn(Cc2ccccc2)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL433646 | 168339 | None | 0 | Rabbit | Functional | pIC50 | = | 9.7 | 9.7 | - | 1 | ChEMBL | 492 | 10 | 2 | 6 | 5.4 | CCCCc1nn(Cc2ccccc2)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 14971716 | 14530 | None | 0 | Rabbit | Functional | pIC50 | = | 9.6 | 9.6 | - | 1 | ChEMBL | 506 | 11 | 2 | 6 | 5.6 | CCCCc1nn(CCc2ccccc2)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL120199 | 14530 | None | 0 | Rabbit | Functional | pIC50 | = | 9.6 | 9.6 | - | 1 | ChEMBL | 506 | 11 | 2 | 6 | 5.6 | CCCCc1nn(CCc2ccccc2)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 14971706 | 209667 | None | 0 | Rabbit | Functional | pIC50 | = | 9.6 | 9.6 | - | 1 | ChEMBL | 546 | 9 | 2 | 6 | 6.4 | CCCCc1nn(-c2ccccc2C(F)(F)F)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL92654 | 209667 | None | 0 | Rabbit | Functional | pIC50 | = | 9.6 | 9.6 | - | 1 | ChEMBL | 546 | 9 | 2 | 6 | 6.4 | CCCCc1nn(-c2ccccc2C(F)(F)F)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 183134 | 207302 | None | 16 | Human | Functional | pIC50 | = | 9.5 | 9.5 | -4 | 7 | ChEMBL | 409 | 5 | 1 | 6 | 4.5 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm1013693 | |||
| CHEMBL7550 | 207302 | None | 16 | Human | Functional | pIC50 | = | 9.5 | 9.5 | -4 | 7 | ChEMBL | 409 | 5 | 1 | 6 | 4.5 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm1013693 | |||
| 14971698 | 209751 | None | 0 | Rabbit | Functional | pIC50 | = | 9.5 | 9.5 | - | 1 | ChEMBL | 512 | 9 | 2 | 6 | 6.0 | CCCCc1nn(-c2ccccc2Cl)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL93226 | 209751 | None | 0 | Rabbit | Functional | pIC50 | = | 9.5 | 9.5 | - | 1 | ChEMBL | 512 | 9 | 2 | 6 | 6.0 | CCCCc1nn(-c2ccccc2Cl)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 9827346 | 99791 | None | 3 | Human | Functional | pIC50 | = | 9.4 | 9.4 | 1 | 2 | ChEMBL | 501 | 7 | 2 | 8 | 3.4 | CCc1nn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)/c(=N/C(=O)C2=C(C(=O)O)CCC2)s1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL284918 | 99791 | None | 3 | Human | Functional | pIC50 | = | 9.4 | 9.4 | 1 | 2 | ChEMBL | 501 | 7 | 2 | 8 | 3.4 | CCc1nn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)/c(=N/C(=O)C2=C(C(=O)O)CCC2)s1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL34866 | 99791 | None | 3 | Human | Functional | pIC50 | = | 9.4 | 9.4 | 1 | 2 | ChEMBL | 501 | 7 | 2 | 8 | 3.4 | CCc1nn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)/c(=N/C(=O)C2=C(C(=O)O)CCC2)s1 | 10.1016/j.bmc.2010.10.043 | |||
| 9870652 | 70916 | None | 54 | Rabbit | Functional | pIC50 | = | 9.4 | 9.4 | 15 | 2 | ChEMBL | 501 | 9 | 1 | 7 | 4.2 | CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 9870652.0 | 70916 | None | 54 | Rabbit | Functional | pIC50 | = | 9.4 | 9.4 | 15 | 2 | ChEMBL | 501 | 9 | 1 | 7 | 4.2 | CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951143 | 70916 | None | 54 | Rabbit | Functional | pIC50 | = | 9.4 | 9.4 | 15 | 2 | ChEMBL | 501 | 9 | 1 | 7 | 4.2 | CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| DB09279 | 70916 | None | 54 | Rabbit | Functional | pIC50 | = | 9.4 | 9.4 | 15 | 2 | ChEMBL | 501 | 9 | 1 | 7 | 4.2 | CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 14971720 | 114886 | None | 0 | Rabbit | Functional | pIC50 | = | 9.4 | 9.4 | - | 1 | ChEMBL | 478 | 9 | 2 | 6 | 5.0 | CCCc1nn(Cc2ccccc2)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL334145 | 114886 | None | 0 | Rabbit | Functional | pIC50 | = | 9.4 | 9.4 | - | 1 | ChEMBL | 478 | 9 | 2 | 6 | 5.0 | CCCc1nn(Cc2ccccc2)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| 14971720 | 114886 | None | 0 | Rabbit | Functional | pIC50 | = | 9.4 | 9.4 | - | 1 | ChEMBL | 478 | 9 | 2 | 6 | 5.0 | CCCc1nn(Cc2ccccc2)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL334145 | 114886 | None | 0 | Rabbit | Functional | pIC50 | = | 9.4 | 9.4 | - | 1 | ChEMBL | 478 | 9 | 2 | 6 | 5.0 | CCCc1nn(Cc2ccccc2)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 14971705 | 209207 | None | 0 | Rabbit | Functional | pIC50 | = | 9.3 | 9.3 | - | 1 | ChEMBL | 492 | 9 | 2 | 6 | 5.7 | CCCCc1nn(-c2ccccc2C)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL90011 | 209207 | None | 0 | Rabbit | Functional | pIC50 | = | 9.3 | 9.3 | - | 1 | ChEMBL | 492 | 9 | 2 | 6 | 5.7 | CCCCc1nn(-c2ccccc2C)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 10325927 | 209344 | None | 0 | Rabbit | Functional | pIC50 | = | 9.3 | 9.3 | - | 1 | ChEMBL | 580 | 9 | 2 | 6 | 7.3 | CCCCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL90774 | 209344 | None | 0 | Rabbit | Functional | pIC50 | = | 9.3 | 9.3 | - | 1 | ChEMBL | 580 | 9 | 2 | 6 | 7.3 | CCCCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 14971714 | 99244 | None | 0 | Rabbit | Functional | pIC50 | = | 9.3 | 9.3 | - | 1 | ChEMBL | 484 | 9 | 2 | 6 | 4.9 | CCCCc1nn(CC(F)(F)F)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL281386 | 99244 | None | 0 | Rabbit | Functional | pIC50 | = | 9.3 | 9.3 | - | 1 | ChEMBL | 484 | 9 | 2 | 6 | 4.9 | CCCCc1nn(CC(F)(F)F)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 183134 | 207302 | None | 16 | Rabbit | Functional | pIC50 | = | 9.3 | 9.3 | -2 | 7 | ChEMBL | 409 | 5 | 1 | 6 | 4.5 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00078a013 | |||
| 183134 | 207302 | None | 16 | Rabbit | Functional | pIC50 | = | 9.3 | 9.3 | -2 | 7 | ChEMBL | 409 | 5 | 1 | 6 | 4.5 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00078a014 | |||
| CHEMBL7550 | 207302 | None | 16 | Rabbit | Functional | pIC50 | = | 9.3 | 9.3 | -2 | 7 | ChEMBL | 409 | 5 | 1 | 6 | 4.5 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00078a013 | |||
| CHEMBL7550 | 207302 | None | 16 | Rabbit | Functional | pIC50 | = | 9.3 | 9.3 | -2 | 7 | ChEMBL | 409 | 5 | 1 | 6 | 4.5 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00078a014 | |||
| 14971639 | 114196 | None | 0 | Rabbit | Functional | pIC50 | = | 9.3 | 9.3 | - | 1 | ChEMBL | 512 | 9 | 2 | 6 | 6.1 | CCCCc1nc(-c2ccccc2Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL332897 | 114196 | None | 0 | Rabbit | Functional | pIC50 | = | 9.3 | 9.3 | - | 1 | ChEMBL | 512 | 9 | 2 | 6 | 6.1 | CCCCc1nc(-c2ccccc2Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| 14971639 | 114196 | None | 0 | Rabbit | Functional | pIC50 | = | 9.3 | 9.3 | - | 1 | ChEMBL | 512 | 9 | 2 | 6 | 6.1 | CCCCc1nc(-c2ccccc2Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL332897 | 114196 | None | 0 | Rabbit | Functional | pIC50 | = | 9.3 | 9.3 | - | 1 | ChEMBL | 512 | 9 | 2 | 6 | 6.1 | CCCCc1nc(-c2ccccc2Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 14971702 | 209637 | None | 0 | Rabbit | Functional | pIC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 546 | 9 | 2 | 6 | 6.7 | CCCCc1nn(-c2ccc(Cl)cc2Cl)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL92472 | 209637 | None | 0 | Rabbit | Functional | pIC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 546 | 9 | 2 | 6 | 6.7 | CCCCc1nn(-c2ccc(Cl)cc2Cl)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 4673492 | 4138 | None | 6 | Human | Functional | pIC50 | = | 9.2 | 9.2 | 6 | 3 | ChEMBL | 438 | 6 | 1 | 5 | 4.5 | CCc1nc(CC)c2c(c1)N(Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)CC2 | 10.6019/CHEMBL5442687 | |||
| 8324 | 4138 | None | 6 | Human | Functional | pIC50 | = | 9.2 | 9.2 | 6 | 3 | ChEMBL | 438 | 6 | 1 | 5 | 4.5 | CCc1nc(CC)c2c(c1)N(Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)CC2 | 10.6019/CHEMBL5442687 | |||
| CHEMBL159096 | 4138 | None | 6 | Human | Functional | pIC50 | = | 9.2 | 9.2 | 6 | 3 | ChEMBL | 438 | 6 | 1 | 5 | 4.5 | CCc1nc(CC)c2c(c1)N(Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)CC2 | 10.6019/CHEMBL5442687 | |||
| 14971710 | 209857 | None | 0 | Rabbit | Functional | pIC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 554 | 10 | 2 | 6 | 7.0 | CCCCc1nn(-c2ccccc2-c2ccccc2)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL93886 | 209857 | None | 0 | Rabbit | Functional | pIC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 554 | 10 | 2 | 6 | 7.0 | CCCCc1nn(-c2ccccc2-c2ccccc2)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 14971717 | 14588 | None | 0 | Rabbit | Functional | pIC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 532 | 8 | 2 | 6 | 6.0 | CCCc1nn(-c2ccccc2C(F)(F)F)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL120457 | 14588 | None | 0 | Rabbit | Functional | pIC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 532 | 8 | 2 | 6 | 6.0 | CCCc1nn(-c2ccccc2C(F)(F)F)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 10369813 | 117044 | None | 0 | Rabbit | Functional | pIC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 532 | 8 | 2 | 6 | 6.3 | CCCc1nn(-c2c(Cl)cccc2Cl)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL338740 | 117044 | None | 0 | Rabbit | Functional | pIC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 532 | 8 | 2 | 6 | 6.3 | CCCc1nn(-c2c(Cl)cccc2Cl)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 142534045 | 166573 | None | 0 | Human | Functional | pIC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 543 | 9 | 1 | 7 | 4.9 | CCCCc1nc(C)c(CC(=S)N2CCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| CHEMBL4278280 | 166573 | None | 0 | Human | Functional | pIC50 | = | 9.2 | 9.2 | - | 1 | ChEMBL | 543 | 9 | 1 | 7 | 4.9 | CCCCc1nc(C)c(CC(=S)N2CCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| 14956763 | 163492 | None | 0 | Rabbit | Functional | pIC50 | = | 9.1 | 9.1 | - | 1 | ChEMBL | 526 | 10 | 1 | 10 | 4.2 | CCCCc1nn(-c2ccc(OC)cc2[N+](=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL419483 | 163492 | None | 0 | Rabbit | Functional | pIC50 | = | 9.1 | 9.1 | - | 1 | ChEMBL | 526 | 10 | 1 | 10 | 4.2 | CCCCc1nn(-c2ccc(OC)cc2[N+](=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14971701 | 209878 | None | 0 | Rabbit | Functional | pIC50 | = | 9.1 | 9.1 | - | 1 | ChEMBL | 546 | 9 | 2 | 6 | 6.7 | CCCCc1nn(-c2cccc(Cl)c2Cl)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL94002 | 209878 | None | 0 | Rabbit | Functional | pIC50 | = | 9.1 | 9.1 | - | 1 | ChEMBL | 546 | 9 | 2 | 6 | 6.7 | CCCCc1nn(-c2cccc(Cl)c2Cl)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 14971708 | 114658 | None | 0 | Rabbit | Functional | pIC50 | = | 9.1 | 9.1 | - | 1 | ChEMBL | 508 | 10 | 2 | 7 | 5.4 | CCCCc1nn(-c2ccc(OC)cc2)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL333800 | 114658 | None | 0 | Rabbit | Functional | pIC50 | = | 9.1 | 9.1 | - | 1 | ChEMBL | 508 | 10 | 2 | 7 | 5.4 | CCCCc1nn(-c2ccc(OC)cc2)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 10393717 | 116163 | None | 0 | Rabbit | Functional | pIC50 | = | 9.1 | 9.1 | 524 | 2 | ChEMBL | 595 | 11 | 1 | 7 | 6.1 | CCCN(c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1)C(C(=O)NS(=O)(=O)c1ccccc1)c1ccccc1 | 10.1021/jm00078a014 | |||
| CHEMBL335722 | 116163 | None | 0 | Rabbit | Functional | pIC50 | = | 9.1 | 9.1 | 524 | 2 | ChEMBL | 595 | 11 | 1 | 7 | 6.1 | CCCN(c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1)C(C(=O)NS(=O)(=O)c1ccccc1)c1ccccc1 | 10.1021/jm00078a014 | |||
| 9914666 | 116734 | None | 0 | Rabbit | Functional | pIC50 | = | 9.1 | 9.1 | 3388 | 2 | ChEMBL | 520 | 5 | 1 | 6 | 6.3 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2C(=O)c2c(Cl)ccc(Cl)c2C(=O)O)c1 | 10.1021/jm00078a013 | |||
| CHEMBL337086 | 116734 | None | 0 | Rabbit | Functional | pIC50 | = | 9.1 | 9.1 | 3388 | 2 | ChEMBL | 520 | 5 | 1 | 6 | 6.3 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2C(=O)c2c(Cl)ccc(Cl)c2C(=O)O)c1 | 10.1021/jm00078a013 | |||
| 14956739 | 208760 | None | 0 | Rabbit | Functional | pIC50 | = | 9.1 | 9.1 | - | 1 | ChEMBL | 496 | 9 | 1 | 9 | 4.2 | CCCCc1nn(-c2ccccc2[N+](=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87074 | 208760 | None | 0 | Rabbit | Functional | pIC50 | = | 9.1 | 9.1 | - | 1 | ChEMBL | 496 | 9 | 1 | 9 | 4.2 | CCCCc1nn(-c2ccccc2[N+](=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 192567 | 116716 | None | 4 | Rabbit | Functional | pIC50 | = | 9.1 | 9.1 | 223 | 2 | ChEMBL | 581 | 10 | 1 | 7 | 5.7 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(CC)C(C(=O)NS(=O)(=O)c2ccccc2)c2ccccc2)cc1 | 10.1021/jm00078a014 | |||
| CHEMBL337007 | 116716 | None | 4 | Rabbit | Functional | pIC50 | = | 9.1 | 9.1 | 223 | 2 | ChEMBL | 581 | 10 | 1 | 7 | 5.7 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(CC)C(C(=O)NS(=O)(=O)c2ccccc2)c2ccccc2)cc1 | 10.1021/jm00078a014 | |||
| 10140613 | 106152 | None | 0 | Rabbit | Functional | pIC50 | = | 9.1 | 9.1 | 3 | 2 | ChEMBL | 479 | 10 | 1 | 7 | 4.5 | CCCCc1nn(CCc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL313371 | 106152 | None | 0 | Rabbit | Functional | pIC50 | = | 9.1 | 9.1 | 3 | 2 | ChEMBL | 479 | 10 | 1 | 7 | 4.5 | CCCCc1nn(CCc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956772 | 106003 | None | 0 | Rabbit | Functional | pIC50 | = | 9.0 | 9.0 | - | 1 | ChEMBL | 510 | 10 | 1 | 9 | 4.6 | CCCCCc1nn(-c2ccccc2[N+](=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL312913 | 106003 | None | 0 | Rabbit | Functional | pIC50 | = | 9.0 | 9.0 | - | 1 | ChEMBL | 510 | 10 | 1 | 9 | 4.6 | CCCCCc1nn(-c2ccccc2[N+](=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 192345 | 26244 | None | 3 | Rabbit | Functional | pIC50 | = | 9 | 9.0 | 12022 | 2 | ChEMBL | 496 | 6 | 1 | 7 | 5.5 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2Cc2c(Cl)cccc2-c2nn[nH]n2)c1 | 10.1021/jm00078a013 | |||
| CHEMBL135775 | 26244 | None | 3 | Rabbit | Functional | pIC50 | = | 9 | 9.0 | 12022 | 2 | ChEMBL | 496 | 6 | 1 | 7 | 5.5 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2Cc2c(Cl)cccc2-c2nn[nH]n2)c1 | 10.1021/jm00078a013 | |||
| 10326140 | 116715 | None | 0 | Rabbit | Functional | pIC50 | = | 9 | 9.0 | 2884 | 2 | ChEMBL | 593 | 11 | 1 | 7 | 5.9 | C=CCN(c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1)C(C(=O)NS(=O)(=O)c1ccccc1)c1ccccc1 | 10.1021/jm00078a014 | |||
| CHEMBL337006 | 116715 | None | 0 | Rabbit | Functional | pIC50 | = | 9 | 9.0 | 2884 | 2 | ChEMBL | 593 | 11 | 1 | 7 | 5.9 | C=CCN(c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1)C(C(=O)NS(=O)(=O)c1ccccc1)c1ccccc1 | 10.1021/jm00078a014 | |||
| 9807766 | 70908 | None | 0 | Rabbit | Functional | pIC50 | = | 9.0 | 9.0 | - | 1 | ChEMBL | 555 | 9 | 1 | 8 | 4.0 | CCCCc1nc(C)c(CC(=O)N2CC(C)OC(C)C2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951136 | 70908 | None | 0 | Rabbit | Functional | pIC50 | = | 9.0 | 9.0 | - | 1 | ChEMBL | 555 | 9 | 1 | 8 | 4.0 | CCCCc1nc(C)c(CC(=O)N2CC(C)OC(C)C2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 60770 | 169602 | None | 14 | Rabbit | Functional | pIC50 | = | 9.0 | 9.0 | - | 1 | ChEMBL | 506 | 8 | 2 | 6 | 5.1 | CCCc1nc(C(F)(F)C(F)(F)F)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL443269 | 169602 | None | 14 | Rabbit | Functional | pIC50 | = | 9.0 | 9.0 | - | 1 | ChEMBL | 506 | 8 | 2 | 6 | 5.1 | CCCc1nc(C(F)(F)C(F)(F)F)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 142534141 | 167273 | None | 0 | Human | Functional | pIC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 557 | 9 | 1 | 7 | 5.3 | CCCCc1nc(C)c(CC(=S)N2CCCC2C)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| CHEMBL4291216 | 167273 | None | 0 | Human | Functional | pIC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 557 | 9 | 1 | 7 | 5.3 | CCCCc1nc(C)c(CC(=S)N2CCCC2C)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| 14956757 | 67614 | None | 0 | Rabbit | Functional | pIC50 | = | 8.9 | 8.9 | 831 | 2 | ChEMBL | 519 | 8 | 1 | 7 | 5.3 | CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL19018 | 67614 | None | 0 | Rabbit | Functional | pIC50 | = | 8.9 | 8.9 | 831 | 2 | ChEMBL | 519 | 8 | 1 | 7 | 5.3 | CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14971700 | 209916 | None | 0 | Rabbit | Functional | pIC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 512 | 9 | 2 | 6 | 6.0 | CCCCc1nn(-c2ccc(Cl)cc2)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL94221 | 209916 | None | 0 | Rabbit | Functional | pIC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 512 | 9 | 2 | 6 | 6.0 | CCCCc1nn(-c2ccc(Cl)cc2)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 9871638 | 70917 | None | 0 | Rabbit | Functional | pIC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 529 | 11 | 1 | 7 | 5.0 | CCCCc1nc(C)c(CC(=S)N(CC)CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951144 | 70917 | None | 0 | Rabbit | Functional | pIC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 529 | 11 | 1 | 7 | 5.0 | CCCCc1nc(C)c(CC(=S)N(CC)CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 44320012 | 168026 | None | 0 | Rabbit | Functional | pIC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 493 | 9 | 1 | 7 | 5.4 | CCCCc1nn(-c2ccccc2C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL431411 | 168026 | None | 0 | Rabbit | Functional | pIC50 | = | 8.9 | 8.9 | - | 1 | ChEMBL | 493 | 9 | 1 | 7 | 5.4 | CCCCc1nn(-c2ccccc2C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 155542482 | 173230 | None | 0 | Human | Functional | pIC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 487 | 9 | 1 | 6 | 5.5 | CCCCC1=NC(C)=C(CC(=S)N(C)C)CN1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2018.12.043 | |||
| CHEMBL4520827 | 173230 | None | 0 | Human | Functional | pIC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 487 | 9 | 1 | 6 | 5.5 | CCCCC1=NC(C)=C(CC(=S)N(C)C)CN1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2018.12.043 | |||
| 44213341 | 70901 | None | 0 | Rabbit | Functional | pIC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 511 | 9 | 1 | 7 | 4.0 | CCCCc1nc(C)c(CC(=O)N2CCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951129 | 70901 | None | 0 | Rabbit | Functional | pIC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 511 | 9 | 1 | 7 | 4.0 | CCCCc1nc(C)c(CC(=O)N2CCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 137532858 | 167186 | None | 0 | Human | Functional | pIC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 517 | 9 | 1 | 7 | 4.4 | CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| CHEMBL4289788 | 167186 | None | 0 | Human | Functional | pIC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 517 | 9 | 1 | 7 | 4.4 | CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| 14971719 | 114856 | None | 0 | Rabbit | Functional | pIC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 470 | 8 | 2 | 6 | 4.5 | CCCc1nn(CC(F)(F)F)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL333978 | 114856 | None | 0 | Rabbit | Functional | pIC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 470 | 8 | 2 | 6 | 4.5 | CCCc1nn(CC(F)(F)F)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 14971711 | 16561 | None | 0 | Rabbit | Functional | pIC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 479 | 9 | 2 | 7 | 4.7 | CCCCc1nn(-c2ccccn2)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL123767 | 16561 | None | 0 | Rabbit | Functional | pIC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 479 | 9 | 2 | 7 | 4.7 | CCCCc1nn(-c2ccccn2)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 14971707 | 209795 | None | 0 | Rabbit | Functional | pIC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 523 | 10 | 2 | 8 | 5.3 | CCCCc1nn(-c2ccccc2[N+](=O)[O-])c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL93547 | 209795 | None | 0 | Rabbit | Functional | pIC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 523 | 10 | 2 | 8 | 5.3 | CCCCc1nn(-c2ccccc2[N+](=O)[O-])c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 44213349 | 70907 | None | 0 | Rabbit | Functional | pIC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 527 | 9 | 1 | 8 | 3.2 | CCCCc1nc(C)c(CC(=O)N2CCOCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951135 | 70907 | None | 0 | Rabbit | Functional | pIC50 | = | 8.8 | 8.8 | - | 1 | ChEMBL | 527 | 9 | 1 | 8 | 3.2 | CCCCc1nc(C)c(CC(=O)N2CCOCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 20081627 | 92204 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | 1 | 2 | ChEMBL | 502 | 6 | 2 | 7 | 4.7 | CC1CC(=O)NN=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL24224 | 92204 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | 1 | 2 | ChEMBL | 502 | 6 | 2 | 7 | 4.7 | CC1CC(=O)NN=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1 | 10.1016/j.bmc.2010.10.043 | |||
| 145981239 | 166704 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 571 | 9 | 1 | 7 | 5.7 | CCCCc1nc(C)c(CC(=S)N2[C@H](C)CC[C@H]2C)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| CHEMBL4280574 | 166704 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 571 | 9 | 1 | 7 | 5.7 | CCCCc1nc(C)c(CC(=S)N2[C@H](C)CC[C@H]2C)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| 131654 | 208861 | None | 10 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | 1 | 2 | ChEMBL | 431 | 10 | 1 | 7 | 4.1 | CCCCc1nn(CCCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87778 | 208861 | None | 10 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | 1 | 2 | ChEMBL | 431 | 10 | 1 | 7 | 4.1 | CCCCc1nn(CCCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956781 | 208631 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 443 | 8 | 1 | 7 | 4.4 | CCCCc1nn(C2CCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL86314 | 208631 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 443 | 8 | 1 | 7 | 4.4 | CCCCc1nn(C2CCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 9845644 | 208891 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | 5 | 2 | ChEMBL | 431 | 9 | 1 | 7 | 4.3 | CCCCc1nn(C(C)CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87964 | 208891 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | 5 | 2 | ChEMBL | 431 | 9 | 1 | 7 | 4.3 | CCCCc1nn(C(C)CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 1610 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 8 | 8.0 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm0603163 | |||
| 3941 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 8 | 8.0 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm0603163 | |||
| 3961 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 8 | 8.0 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm0603163 | |||
| 3961.0 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 8 | 8.0 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm0603163 | |||
| 590 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 8 | 8.0 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm0603163 | |||
| CHEMBL191 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 8 | 8.0 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm0603163 | |||
| DB00678 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 8 | 8.0 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm0603163 | |||
| 10095589 | 115583 | None | 0 | Rabbit | Functional | pIC50 | = | 8 | 8.0 | 851 | 2 | ChEMBL | 456 | 8 | 1 | 5 | 5.6 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(CC)C(C(=O)O)c2ccccc2)c(C)c1 | 10.1021/jm00078a014 | |||
| CHEMBL335289 | 115583 | None | 0 | Rabbit | Functional | pIC50 | = | 8 | 8.0 | 851 | 2 | ChEMBL | 456 | 8 | 1 | 5 | 5.6 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(CC)C(C(=O)O)c2ccccc2)c(C)c1 | 10.1021/jm00078a014 | |||
| 19939399 | 106220 | None | 0 | Rabbit | Functional | pIC50 | = | 8 | 8.0 | - | 1 | ChEMBL | 609 | 11 | 2 | 10 | 5.2 | CCCCc1nn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL313696 | 106220 | None | 0 | Rabbit | Functional | pIC50 | = | 8 | 8.0 | - | 1 | ChEMBL | 609 | 11 | 2 | 10 | 5.2 | CCCCc1nn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 10222835 | 208603 | None | 0 | Rabbit | Functional | pIC50 | = | 8 | 8.0 | 2 | 2 | ChEMBL | 403 | 8 | 1 | 7 | 3.3 | CCCCc1nn(CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL86084 | 208603 | None | 0 | Rabbit | Functional | pIC50 | = | 8 | 8.0 | 2 | 2 | ChEMBL | 403 | 8 | 1 | 7 | 3.3 | CCCCc1nn(CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 142533975 | 167144 | None | 0 | Human | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 571 | 10 | 1 | 7 | 5.7 | CCCCc1nc(C(C)C)c(CC(=S)N2CCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| CHEMBL4288964 | 167144 | None | 0 | Human | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 571 | 10 | 1 | 7 | 5.7 | CCCCc1nc(C(C)C)c(CC(=S)N2CCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| 44348352 | 16535 | None | 0 | Rabbit | Functional | pIC50 | = | 7 | 7.0 | 1 | 2 | ChEMBL | 459 | 8 | 1 | 6 | 4.5 | CCOC(=O)/C=C1\N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(=O)CC1(CC)CC | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL123713 | 16535 | None | 0 | Rabbit | Functional | pIC50 | = | 7 | 7.0 | 1 | 2 | ChEMBL | 459 | 8 | 1 | 6 | 4.5 | CCOC(=O)/C=C1\N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(=O)CC1(CC)CC | 10.1016/j.bmc.2010.10.043 | |||
| 14971675 | 209427 | None | 0 | Rabbit | Functional | pIC50 | = | 7 | 7.0 | - | 1 | ChEMBL | 540 | 10 | 1 | 7 | 6.5 | CCCCc1nn(-c2ccc(Cl)cc2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL91287 | 209427 | None | 0 | Rabbit | Functional | pIC50 | = | 7 | 7.0 | - | 1 | ChEMBL | 540 | 10 | 1 | 7 | 6.5 | CCCCc1nn(-c2ccc(Cl)cc2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 10048220 | 26197 | None | 0 | Rabbit | Functional | pIC50 | = | 7 | 7.0 | 109 | 2 | ChEMBL | 428 | 7 | 2 | 5 | 5.2 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(NC(C(=O)O)c2ccccc2)c(C)c1 | 10.1021/jm00078a014 | |||
| CHEMBL135704 | 26197 | None | 0 | Rabbit | Functional | pIC50 | = | 7 | 7.0 | 109 | 2 | ChEMBL | 428 | 7 | 2 | 5 | 5.2 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(NC(C(=O)O)c2ccccc2)c(C)c1 | 10.1021/jm00078a014 | |||
| 14956760 | 165595 | None | 0 | Rabbit | Functional | pIC50 | = | 7 | 7.0 | - | 1 | ChEMBL | 466 | 8 | 2 | 8 | 3.9 | CCCCc1nn(-c2ccccc2N)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL424053 | 165595 | None | 0 | Rabbit | Functional | pIC50 | = | 7 | 7.0 | - | 1 | ChEMBL | 466 | 8 | 2 | 8 | 3.9 | CCCCc1nn(-c2ccccc2N)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956777 | 208787 | None | 0 | Rabbit | Functional | pIC50 | = | 7 | 7.0 | - | 1 | ChEMBL | 415 | 8 | 1 | 7 | 3.6 | CCCCc1nn(C2CC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87276 | 208787 | None | 0 | Rabbit | Functional | pIC50 | = | 7 | 7.0 | - | 1 | ChEMBL | 415 | 8 | 1 | 7 | 3.6 | CCCCc1nn(C2CC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 164611301 | 185124 | None | 0 | Human | Functional | pIC50 | = | 5 | 5.0 | -1 | 2 | ChEMBL | 416 | 7 | 1 | 5 | 3.9 | CCCC[C@H]1N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C(=O)[C@H]2CCCN21 | 10.1021/acsmedchemlett.1c00240 | |||
| CHEMBL4854916 | 185124 | None | 0 | Human | Functional | pIC50 | = | 5 | 5.0 | -1 | 2 | ChEMBL | 416 | 7 | 1 | 5 | 3.9 | CCCC[C@H]1N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C(=O)[C@H]2CCCN21 | 10.1021/acsmedchemlett.1c00240 | |||
| 1240113 | 29478 | None | 5 | Human | Functional | pIC50 | = | 5 | 5.0 | -3 | 3 | ChEMBL | 265 | 3 | 0 | 2 | 4.8 | Cc1cccc(CSc2cccc3cccnc23)c1 | nan | |||
| CHEMBL1384550 | 29478 | None | 5 | Human | Functional | pIC50 | = | 5 | 5.0 | -3 | 3 | ChEMBL | 265 | 3 | 0 | 2 | 4.8 | Cc1cccc(CSc2cccc3cccnc23)c1 | nan | |||
| 164622816 | 185980 | None | 0 | Human | Functional | pIC50 | = | 6 | 6.0 | - | 1 | ChEMBL | 416 | 7 | 1 | 5 | 3.9 | CCCC[C@@H]1N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C(=O)[C@@H]2CCCN21 | 10.1021/acsmedchemlett.1c00240 | |||
| CHEMBL4868159 | 185980 | None | 0 | Human | Functional | pIC50 | = | 6 | 6.0 | - | 1 | ChEMBL | 416 | 7 | 1 | 5 | 3.9 | CCCC[C@@H]1N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C(=O)[C@@H]2CCCN21 | 10.1021/acsmedchemlett.1c00240 | |||
| 5411796 | 71951 | None | 6 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 335 | 4 | 1 | 3 | 3.9 | O=C(N/N=C(\c1ccccc1)c1ccccn1)c1ccccc1Cl | nan | |||
| CHEMBL1972216 | 71951 | None | 6 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 335 | 4 | 1 | 3 | 3.9 | O=C(N/N=C(\c1ccccc1)c1ccccn1)c1ccccc1Cl | nan | |||
| 5740287 | 40208 | None | 5 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 394 | 6 | 0 | 7 | 4.3 | COc1cc(/C=C/c2ccc3cccc(OC)c3n2)c(OC(C)=O)c([N+](=O)[O-])c1 | nan | |||
| CHEMBL1480264 | 40208 | None | 5 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 394 | 6 | 0 | 7 | 4.3 | COc1cc(/C=C/c2ccc3cccc(OC)c3n2)c(OC(C)=O)c([N+](=O)[O-])c1 | nan | |||
| 5738419 | 48468 | None | 10 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 253 | 2 | 1 | 3 | 4.2 | Oc1cccc2ccc(/C=C/c3cccs3)nc12 | nan | |||
| CHEMBL1555793 | 48468 | None | 10 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 253 | 2 | 1 | 3 | 4.2 | Oc1cccc2ccc(/C=C/c3cccs3)nc12 | nan | |||
| 659124 | 38448 | None | 6 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 406 | 7 | 1 | 7 | 4.4 | CCCCn1c(NC(=O)c2ccco2)c(C(=O)OCC)c2nc3ccccc3nc21 | nan | |||
| CHEMBL1463829 | 38448 | None | 6 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 406 | 7 | 1 | 7 | 4.4 | CCCCn1c(NC(=O)c2ccco2)c(C(=O)OCC)c2nc3ccccc3nc21 | nan | |||
| 1183382 | 23513 | None | 9 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 367 | 5 | 0 | 7 | 3.3 | COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1cc2ccccc2oc1=O | nan | |||
| CHEMBL1333737 | 23513 | None | 9 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 367 | 5 | 0 | 7 | 3.3 | COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1cc2ccccc2oc1=O | nan | |||
| 1334532 | 36937 | None | 5 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 365 | 2 | 3 | 4 | 3.0 | Cc1cc(O)ccc1NC(=S)NC(=O)c1cncc(Br)c1 | nan | |||
| CHEMBL1451169 | 36937 | None | 5 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 365 | 2 | 3 | 4 | 3.0 | Cc1cc(O)ccc1NC(=S)NC(=O)c1cncc(Br)c1 | nan | |||
| 10257526 | 112435 | None | 0 | Rabbit | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 574 | 10 | 1 | 7 | 7.1 | CCCCc1nn(-c2cc(Cl)ccc2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL329541 | 112435 | None | 0 | Rabbit | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 574 | 10 | 1 | 7 | 7.1 | CCCCc1nn(-c2cc(Cl)ccc2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 5952109 | 72070 | None | 5 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 389 | 4 | 1 | 5 | 5.6 | CC(=O)/C(=N\Nc1ccc(Cl)cc1Cl)Sc1cccc2cccnc12 | nan | |||
| CHEMBL1976317 | 72070 | None | 5 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 389 | 4 | 1 | 5 | 5.6 | CC(=O)/C(=N\Nc1ccc(Cl)cc1Cl)Sc1cccc2cccnc12 | nan | |||
| 2236648 | 28713 | None | 6 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 355 | 2 | 3 | 3 | 3.0 | CC(C)(C)C(=O)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 | nan | |||
| CHEMBL1377849 | 28713 | None | 6 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 355 | 2 | 3 | 3 | 3.0 | CC(C)(C)C(=O)NC(=S)NNC(=O)c1ccc(-c2ccccc2)cc1 | nan | |||
| 6154033 | 108537 | None | 3 | Human | Functional | pIC50 | = | 5.0 | 5.0 | 1 | 2 | ChEMBL | 319 | 4 | 1 | 3 | 3.4 | O=C(N/N=C(\c1ccccc1)c1cccnc1)c1cccc(F)c1 | nan | |||
| CHEMBL3199403 | 108537 | None | 3 | Human | Functional | pIC50 | = | 5.0 | 5.0 | 1 | 2 | ChEMBL | 319 | 4 | 1 | 3 | 3.4 | O=C(N/N=C(\c1ccccc1)c1cccnc1)c1cccc(F)c1 | nan | |||
| 4116022 | 51010 | None | 4 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 368 | 10 | 1 | 9 | 3.4 | CCCSc1cc(NCCOC(=O)CCC)c([N+](=O)[O-])c2nonc12 | nan | |||
| CHEMBL1578324 | 51010 | None | 4 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 368 | 10 | 1 | 9 | 3.4 | CCCSc1cc(NCCOC(=O)CCC)c([N+](=O)[O-])c2nonc12 | nan | |||
| 19939367 | 106006 | None | 0 | Rabbit | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 523 | 10 | 1 | 9 | 4.1 | CCCCc1nn(Cc2ccccc2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL312921 | 106006 | None | 0 | Rabbit | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 523 | 10 | 1 | 9 | 4.1 | CCCCc1nn(Cc2ccccc2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956804 | 106055 | None | 0 | Rabbit | Functional | pIC50 | = | 8.0 | 8.0 | 1 | 2 | ChEMBL | 493 | 11 | 1 | 7 | 4.9 | CCCCc1nn(CCCc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL313222 | 106055 | None | 0 | Rabbit | Functional | pIC50 | = | 8.0 | 8.0 | 1 | 2 | ChEMBL | 493 | 11 | 1 | 7 | 4.9 | CCCCc1nn(CCCc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956792 | 106822 | None | 0 | Rabbit | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 479 | 9 | 1 | 7 | 4.6 | CCCCc1nn(Cc2ccccc2C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL314447 | 106822 | None | 0 | Rabbit | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 479 | 9 | 1 | 7 | 4.6 | CCCCc1nn(Cc2ccccc2C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956754 | 157477 | None | 0 | Rabbit | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 541 | 10 | 1 | 7 | 5.9 | CCCCc1nn(-c2ccccc2Cc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL407827 | 157477 | None | 0 | Rabbit | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 541 | 10 | 1 | 7 | 5.9 | CCCCc1nn(-c2ccccc2Cc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956787 | 208805 | None | 0 | Rabbit | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 461 | 9 | 1 | 9 | 3.0 | CCCCc1nn(C(C)C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87363 | 208805 | None | 0 | Rabbit | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 461 | 9 | 1 | 9 | 3.0 | CCCCc1nn(C(C)C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 44373246 | 168370 | None | 0 | Bovine | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 435 | 5 | 1 | 6 | 4.5 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)C(Cc1nnn[nH]1)c1ccccc1-2 | 10.1021/jm9504722 | |||
| CHEMBL433895 | 168370 | None | 0 | Bovine | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 435 | 5 | 1 | 6 | 4.5 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)C(Cc1nnn[nH]1)c1ccccc1-2 | 10.1021/jm9504722 | |||
| 14956796 | 208257 | None | 0 | Rabbit | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 523 | 10 | 1 | 9 | 4.1 | CCCCc1nn(Cc2cccc(C(=O)OC)c2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL83182 | 208257 | None | 0 | Rabbit | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 523 | 10 | 1 | 9 | 4.1 | CCCCc1nn(Cc2cccc(C(=O)OC)c2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 10094520 | 24766 | None | 0 | Rabbit | Functional | pIC50 | = | 6.0 | 6.0 | 11 | 2 | ChEMBL | 435 | 5 | 0 | 5 | 5.6 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(C#N)c1ccccc1C | 10.1021/jm00078a013 | |||
| CHEMBL134433 | 24766 | None | 0 | Rabbit | Functional | pIC50 | = | 6.0 | 6.0 | 11 | 2 | ChEMBL | 435 | 5 | 0 | 5 | 5.6 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(C#N)c1ccccc1C | 10.1021/jm00078a013 | |||
| 3504072 | 33638 | None | 7 | Human | Functional | pIC50 | = | 5.0 | 5.0 | 1 | 2 | ChEMBL | 299 | 2 | 2 | 3 | 2.1 | O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccn1 | nan | |||
| CHEMBL1421427 | 33638 | None | 7 | Human | Functional | pIC50 | = | 5.0 | 5.0 | 1 | 2 | ChEMBL | 299 | 2 | 2 | 3 | 2.1 | O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccn1 | nan | |||
| 869765 | 38599 | None | 5 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 322 | 5 | 2 | 6 | 3.1 | COc1ccc(-c2cc(-c3ccccc3)nc(NN)n2)cc1OC | nan | |||
| CHEMBL1464917 | 38599 | None | 5 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 322 | 5 | 2 | 6 | 3.1 | COc1ccc(-c2cc(-c3ccccc3)nc(NN)n2)cc1OC | nan | |||
| 16446215 | 47621 | None | 8 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 467 | 7 | 1 | 6 | 4.3 | Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)Nc3ccc(OC(F)F)cc3)n2)cc1 | nan | |||
| CHEMBL1546607 | 47621 | None | 8 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 467 | 7 | 1 | 6 | 4.3 | Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)Nc3ccc(OC(F)F)cc3)n2)cc1 | nan | |||
| 5295671 | 35525 | None | 7 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 314 | 2 | 0 | 6 | 2.1 | CC(=O)C1=C(c2ccccc2)N(C(C)=O)n2c(C)nnc2S1 | nan | |||
| CHEMBL1438779 | 35525 | None | 7 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 314 | 2 | 0 | 6 | 2.1 | CC(=O)C1=C(c2ccccc2)N(C(C)=O)n2c(C)nnc2S1 | nan | |||
| 1653161 | 40338 | None | 7 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 319 | 3 | 3 | 5 | 1.2 | COc1ccccc1C(=O)NNC(=S)NC(=O)c1ccco1 | nan | |||
| CHEMBL1481281 | 40338 | None | 7 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 319 | 3 | 3 | 5 | 1.2 | COc1ccccc1C(=O)NNC(=S)NC(=O)c1ccco1 | nan | |||
| 14956759 | 208560 | None | 0 | Rabbit | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 495 | 9 | 2 | 8 | 4.0 | CCCCc1nn(-c2ccccc2C(=O)O)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL85704 | 208560 | None | 0 | Rabbit | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 495 | 9 | 2 | 8 | 4.0 | CCCCc1nn(-c2ccccc2C(=O)O)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 5335659 | 108519 | None | 4 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 257 | 3 | 1 | 3 | 2.4 | C/C(=N\NC(=O)c1ccccc1F)c1ccccn1 | nan | |||
| CHEMBL3199216 | 108519 | None | 4 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 257 | 3 | 1 | 3 | 2.4 | C/C(=N\NC(=O)c1ccccc1F)c1ccccn1 | nan | |||
| 16446684 | 43009 | None | 8 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 405 | 5 | 1 | 5 | 3.5 | O=C(Nc1ccc(F)cc1)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl | nan | |||
| CHEMBL1504077 | 43009 | None | 8 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 405 | 5 | 1 | 5 | 3.5 | O=C(Nc1ccc(F)cc1)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl | nan | |||
| 2426231 | 38134 | None | 3 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 394 | 3 | 3 | 3 | 5.3 | Cc1c(Cl)cccc1N=C(S)NNc1ncc(C(F)(F)F)cc1Cl | nan | |||
| CHEMBL1461119 | 38134 | None | 3 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 394 | 3 | 3 | 3 | 5.3 | Cc1c(Cl)cccc1N=C(S)NNc1ncc(C(F)(F)F)cc1Cl | nan | |||
| 53319274 | 57617 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 559 | 9 | 1 | 7 | 4.2 | CCCCN1CC2(CN1Cc1ccc(-c3ccccc3S(=O)(=O)NC(=O)c3ccccc3)cc1)C(=O)CCC2=O | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL1668000 | 57617 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 559 | 9 | 1 | 7 | 4.2 | CCCCN1CC2(CN1Cc1ccc(-c3ccccc3S(=O)(=O)NC(=O)c3ccccc3)cc1)C(=O)CCC2=O | 10.1016/j.bmc.2010.10.043 | |||
| 10027714 | 115501 | None | 0 | Rabbit | Functional | pIC50 | = | 7.9 | 7.9 | 398 | 2 | ChEMBL | 470 | 9 | 1 | 5 | 6.0 | CCCN(c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1C)C(C(=O)O)c1ccccc1 | 10.1021/jm00078a014 | |||
| CHEMBL335066 | 115501 | None | 0 | Rabbit | Functional | pIC50 | = | 7.9 | 7.9 | 398 | 2 | ChEMBL | 470 | 9 | 1 | 5 | 6.0 | CCCN(c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1C)C(C(=O)O)c1ccccc1 | 10.1021/jm00078a014 | |||
| 14956793 | 208766 | None | 0 | Rabbit | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 479 | 9 | 1 | 7 | 4.6 | CCCCc1nn(Cc2cccc(C)c2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87129 | 208766 | None | 0 | Rabbit | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 479 | 9 | 1 | 7 | 4.6 | CCCCc1nn(Cc2cccc(C)c2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956791 | 208799 | None | 0 | Rabbit | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 459 | 8 | 2 | 8 | 3.4 | CCCCc1nn(C2CCCC2O)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87341 | 208799 | None | 0 | Rabbit | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 459 | 8 | 2 | 8 | 3.4 | CCCCc1nn(C2CCCC2O)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956798 | 208867 | None | 0 | Rabbit | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 523 | 10 | 1 | 9 | 4.0 | CCCCc1nn(C(C(=O)OC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87798 | 208867 | None | 0 | Rabbit | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 523 | 10 | 1 | 9 | 4.0 | CCCCc1nn(C(C(=O)OC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14951059 | 208887 | None | 0 | Rabbit | Functional | pIC50 | = | 7.9 | 7.9 | -1 | 2 | ChEMBL | 493 | 10 | 1 | 8 | 4.2 | CCCCc1nn(CC(=O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87942 | 208887 | None | 0 | Rabbit | Functional | pIC50 | = | 7.9 | 7.9 | -1 | 2 | ChEMBL | 493 | 10 | 1 | 8 | 4.2 | CCCCc1nn(CC(=O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 11744670 | 115318 | None | 0 | Rabbit | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 453 | 5 | 0 | 5 | 6.2 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2Cc2c(Cl)cccc2C#N)c1 | 10.1021/jm00078a013 | |||
| CHEMBL334775 | 115318 | None | 0 | Rabbit | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 453 | 5 | 0 | 5 | 6.2 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2Cc2c(Cl)cccc2C#N)c1 | 10.1021/jm00078a013 | |||
| 14956742 | 208786 | None | 0 | Rabbit | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 485 | 8 | 1 | 7 | 4.9 | CCCCc1nn(-c2cccc(Cl)c2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87275 | 208786 | None | 0 | Rabbit | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 485 | 8 | 1 | 7 | 4.9 | CCCCc1nn(-c2cccc(Cl)c2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 5187118 | 51877 | None | 4 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -5 | 4 | ChEMBL | 338 | 3 | 1 | 3 | 4.8 | Oc1c(C(c2ccccc2Cl)N2CCCC2)ccc2cccnc12 | nan | |||
| CHEMBL1585527 | 51877 | None | 4 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -5 | 4 | ChEMBL | 338 | 3 | 1 | 3 | 4.8 | Oc1c(C(c2ccccc2Cl)N2CCCC2)ccc2cccnc12 | nan | |||
| 2313746 | 52135 | None | 0 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 333 | 4 | 4 | 7 | 0.6 | O=C1OCC(CO)(CO)N=C1NNc1cc(Cl)ccc1Cl | nan | |||
| CHEMBL1587672 | 52135 | None | 0 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 333 | 4 | 4 | 7 | 0.6 | O=C1OCC(CO)(CO)N=C1NNc1cc(Cl)ccc1Cl | nan | |||
| 6917582 | 45687 | None | 0 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 378 | 3 | 1 | 5 | 3.1 | COc1ccc2c(c1)C(=O)[C@H](O)[C@@H](c1ccc(OC)c(Br)c1)O2 | nan | |||
| CHEMBL1529805 | 45687 | None | 0 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 378 | 3 | 1 | 5 | 3.1 | COc1ccc2c(c1)C(=O)[C@H](O)[C@@H](c1ccc(OC)c(Br)c1)O2 | nan | |||
| 665535 | 45008 | None | 3 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -1 | 3 | ChEMBL | 425 | 7 | 1 | 9 | 1.8 | COC(=O)CS(=O)(=O)c1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 | nan | |||
| CHEMBL1523699 | 45008 | None | 3 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -1 | 3 | ChEMBL | 425 | 7 | 1 | 9 | 1.8 | COC(=O)CS(=O)(=O)c1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 | nan | |||
| 2812568 | 37218 | None | 2 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 286 | 3 | 2 | 3 | 3.8 | O=C(NNc1ccc(Cl)cc1)c1sccc1Cl | nan | |||
| CHEMBL1453309 | 37218 | None | 2 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 286 | 3 | 2 | 3 | 3.8 | O=C(NNc1ccc(Cl)cc1)c1sccc1Cl | nan | |||
| 921731 | 52192 | None | 5 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 321 | 5 | 0 | 7 | 2.1 | O=C(COC(=O)c1cnccn1)c1ccc(Cl)c([N+](=O)[O-])c1 | nan | |||
| CHEMBL1588194 | 52192 | None | 5 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 321 | 5 | 0 | 7 | 2.1 | O=C(COC(=O)c1cnccn1)c1ccc(Cl)c([N+](=O)[O-])c1 | nan | |||
| 6173110 | 108216 | None | 2 | Human | Functional | pIC50 | = | 4.9 | 4.9 | 1 | 3 | ChEMBL | 331 | 5 | 1 | 4 | 3.3 | COc1cccc(C(=O)N/N=C(/c2ccccc2)c2ccccn2)c1 | nan | |||
| CHEMBL3196139 | 108216 | None | 2 | Human | Functional | pIC50 | = | 4.9 | 4.9 | 1 | 3 | ChEMBL | 331 | 5 | 1 | 4 | 3.3 | COc1cccc(C(=O)N/N=C(/c2ccccc2)c2ccccn2)c1 | nan | |||
| 2351493 | 49799 | None | 1 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 301 | 4 | 1 | 3 | 3.3 | O=C(NN=C(c1ccccc1)c1ccccn1)c1ccccc1 | nan | |||
| CHEMBL1567294 | 49799 | None | 1 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 301 | 4 | 1 | 3 | 3.3 | O=C(NN=C(c1ccccc1)c1ccccn1)c1ccccc1 | nan | |||
| 11467216 | 122668 | None | 0 | Rabbit | Functional | pIC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 567 | 15 | 1 | 10 | 5.2 | CCCCc1nc(Cl)c(COC(=O)CCCCO[N+](=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm049681p | |||
| CHEMBL360220 | 122668 | None | 0 | Rabbit | Functional | pIC50 | = | 5.9 | 5.9 | - | 1 | ChEMBL | 567 | 15 | 1 | 10 | 5.2 | CCCCc1nc(Cl)c(COC(=O)CCCCO[N+](=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm049681p | |||
| 135457059 | 51030 | None | 20 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -2 | 2 | ChEMBL | 329 | 4 | 1 | 5 | 4.2 | Oc1cc(CSc2ccc(Cl)cc2)nc(-c2ccccn2)n1 | nan | |||
| CHEMBL1578482 | 51030 | None | 20 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -2 | 2 | ChEMBL | 329 | 4 | 1 | 5 | 4.2 | Oc1cc(CSc2ccc(Cl)cc2)nc(-c2ccccn2)n1 | nan | |||
| 2303647 | 28434 | None | 5 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 262 | 3 | 2 | 4 | 3.1 | NNc1nc(-c2ccccc2)cc(-c2ccccc2)n1 | nan | |||
| CHEMBL1375248 | 28434 | None | 5 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 262 | 3 | 2 | 4 | 3.1 | NNc1nc(-c2ccccc2)cc(-c2ccccc2)n1 | nan | |||
| 11328757 | 208425 | None | 0 | Rabbit | Functional | pIC50 | = | 7.9 | 7.9 | -1 | 2 | ChEMBL | 464 | 6 | 1 | 5 | 6.3 | CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(C(=O)O)c(C)nc3ccccc23)cc1 | 10.1021/jm0603163 | |||
| CHEMBL84573 | 208425 | None | 0 | Rabbit | Functional | pIC50 | = | 7.9 | 7.9 | -1 | 2 | ChEMBL | 464 | 6 | 1 | 5 | 6.3 | CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(C(=O)O)c(C)nc3ccccc23)cc1 | 10.1021/jm0603163 | |||
| 9896251 | 98827 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | 1 | 3 | ChEMBL | 682 | 12 | 1 | 9 | 7.1 | CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)ccc1OC(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2 | 10.1016/j.bmc.2012.06.011 | |||
| CHEMBL278176 | 98827 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | 1 | 3 | ChEMBL | 682 | 12 | 1 | 9 | 7.1 | CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)ccc1OC(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2 | 10.1016/j.bmc.2012.06.011 | |||
| 9958963 | 209690 | None | 0 | Rabbit | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 540 | 10 | 1 | 7 | 6.5 | CCCCc1nn(-c2ccccc2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL92821 | 209690 | None | 0 | Rabbit | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 540 | 10 | 1 | 7 | 6.5 | CCCCc1nn(-c2ccccc2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 14971680 | 209830 | None | 0 | Rabbit | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 520 | 10 | 1 | 7 | 6.1 | CCCCc1nn(-c2ccccc2C)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL93735 | 209830 | None | 0 | Rabbit | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 520 | 10 | 1 | 7 | 6.1 | CCCCc1nn(-c2ccccc2C)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 57391456 | 70915 | None | 0 | Rabbit | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 569 | 10 | 1 | 8 | 4.4 | CCCCc1nc(C)c(CCC(=O)N2CC(C)OC(C)C2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951142 | 70915 | None | 0 | Rabbit | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 569 | 10 | 1 | 8 | 4.4 | CCCCc1nc(C)c(CCC(=O)N2CC(C)OC(C)C2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 14971687 | 14819 | None | 0 | Rabbit | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 430 | 9 | 2 | 6 | 4.4 | CCCCc1n[nH]c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL120716 | 14819 | None | 0 | Rabbit | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 430 | 9 | 2 | 6 | 4.4 | CCCCc1n[nH]c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 14956812 | 106728 | None | 0 | Rabbit | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 463 | 8 | 1 | 7 | 4.1 | O=c1n(CCc2ccccc2)nc(C2CC2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL314333 | 106728 | None | 0 | Rabbit | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 463 | 8 | 1 | 7 | 4.1 | O=c1n(CCc2ccccc2)nc(C2CC2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 793621 | 26588 | None | 7 | Human | Functional | pIC50 | = | 4.9 | 4.9 | 1 | 2 | ChEMBL | 281 | 1 | 1 | 5 | 3.3 | CC1=NC(Nc2nc(C)c3ccccc3n2)=NC(C)(C)C1 | nan | |||
| CHEMBL1361034 | 26588 | None | 7 | Human | Functional | pIC50 | = | 4.9 | 4.9 | 1 | 2 | ChEMBL | 281 | 1 | 1 | 5 | 3.3 | CC1=NC(Nc2nc(C)c3ccccc3n2)=NC(C)(C)C1 | nan | |||
| 2420694 | 33058 | None | 3 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 360 | 3 | 3 | 3 | 4.8 | Cc1cccc(NC(S)=NNc2ncc(C(F)(F)F)cc2Cl)c1 | nan | |||
| CHEMBL1416497 | 33058 | None | 3 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 360 | 3 | 3 | 3 | 4.8 | Cc1cccc(NC(S)=NNc2ncc(C(F)(F)F)cc2Cl)c1 | nan | |||
| 1477595 | 44673 | None | 24 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 264 | 3 | 0 | 5 | 1.8 | O=[N+]([O-])c1ccc(S(=O)(=O)c2ccccc2)nc1 | nan | |||
| CHEMBL1520753 | 44673 | None | 24 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 264 | 3 | 0 | 5 | 1.8 | O=[N+]([O-])c1ccc(S(=O)(=O)c2ccccc2)nc1 | nan | |||
| 1336836 | 33017 | None | 6 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -1 | 2 | ChEMBL | 398 | 5 | 0 | 6 | 4.5 | Cc1ccc2nc(C)cc(C(=O)OCC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2c1 | nan | |||
| CHEMBL1416155 | 33017 | None | 6 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -1 | 2 | ChEMBL | 398 | 5 | 0 | 6 | 4.5 | Cc1ccc2nc(C)cc(C(=O)OCC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2c1 | nan | |||
| 135489943 | 107922 | None | 2 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 387 | 9 | 2 | 5 | 4.0 | CCCCN(CCCC)C(=S)N/N=C/c1c(C)nn(-c2ccccc2)c1O | nan | |||
| CHEMBL3192625 | 107922 | None | 2 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 387 | 9 | 2 | 5 | 4.0 | CCCCN(CCCC)C(=S)N/N=C/c1c(C)nn(-c2ccccc2)c1O | nan | |||
| 1139588 | 38372 | None | 8 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 363 | 5 | 0 | 6 | 3.2 | O=C(Cn1nnc2ccccc21)OCC(=O)c1ccc(Cl)c(Cl)c1 | nan | |||
| CHEMBL1463168 | 38372 | None | 8 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 363 | 5 | 0 | 6 | 3.2 | O=C(Cn1nnc2ccccc21)OCC(=O)c1ccc(Cl)c(Cl)c1 | nan | |||
| 6873170 | 108521 | None | 7 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 249 | 2 | 1 | 3 | 1.2 | S=C(N/N=C/c1ccccc1)N1CCOCC1 | nan | |||
| CHEMBL3199234 | 108521 | None | 7 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 249 | 2 | 1 | 3 | 1.2 | S=C(N/N=C/c1ccccc1)N1CCOCC1 | nan | |||
| 804442 | 53843 | None | 36 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 289 | 4 | 1 | 2 | 3.7 | O=C(CNc1ccc(Br)cc1)c1ccccc1 | nan | |||
| CHEMBL1604367 | 53843 | None | 36 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 289 | 4 | 1 | 2 | 3.7 | O=C(CNc1ccc(Br)cc1)c1ccccc1 | nan | |||
| 929469 | 46576 | None | 6 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 287 | 5 | 0 | 7 | 1.4 | O=C(COC(=O)c1cnccn1)c1cccc([N+](=O)[O-])c1 | nan | |||
| CHEMBL1537991 | 46576 | None | 6 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 287 | 5 | 0 | 7 | 1.4 | O=C(COC(=O)c1cnccn1)c1cccc([N+](=O)[O-])c1 | nan | |||
| 3244543 | 201952 | None | 23 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -3 | 2 | ChEMBL | 188 | 0 | 2 | 3 | 2.1 | Cc1cc(C)c2ccc(N)nc2c1O | nan | |||
| CHEMBL591834 | 201952 | None | 23 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -3 | 2 | ChEMBL | 188 | 0 | 2 | 3 | 2.1 | Cc1cc(C)c2ccc(N)nc2c1O | nan | |||
| 43001 | 52801 | None | 18 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 230 | 1 | 1 | 4 | 2.0 | Nc1c(N2CCCC2)c2ccccc2oc1=O | nan | |||
| CHEMBL1594894 | 52801 | None | 18 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 230 | 1 | 1 | 4 | 2.0 | Nc1c(N2CCCC2)c2ccccc2oc1=O | nan | |||
| 788616 | 53090 | None | 6 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 269 | 5 | 1 | 4 | 2.8 | COC(=O)c1ccc(NCC(=O)c2ccccc2)cc1 | nan | |||
| CHEMBL1597563 | 53090 | None | 6 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 269 | 5 | 1 | 4 | 2.8 | COC(=O)c1ccc(NCC(=O)c2ccccc2)cc1 | nan | |||
| 2998385 | 25162 | None | 0 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 381 | 8 | 1 | 6 | 2.7 | CC(NC(=O)COc1ccccc1)C(=O)OCC(=O)c1cc2ccccc2o1 | nan | |||
| CHEMBL1347643 | 25162 | None | 0 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 381 | 8 | 1 | 6 | 2.7 | CC(NC(=O)COc1ccccc1)C(=O)OCC(=O)c1cc2ccccc2o1 | nan | |||
| 9549748 | 23247 | None | 7 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 287 | 1 | 1 | 1 | 4.4 | SC1=NCCc2ccccc2C1c1ccccc1Cl | nan | |||
| CHEMBL1331656 | 23247 | None | 7 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 287 | 1 | 1 | 1 | 4.4 | SC1=NCCc2ccccc2C1c1ccccc1Cl | nan | |||
| 2939261 | 22122 | None | 4 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 329 | 4 | 3 | 4 | 3.4 | CCC(C)c1ccc(O)c(NC(=S)NC(=O)c2cccnc2)c1 | nan | |||
| CHEMBL1322052 | 22122 | None | 4 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 329 | 4 | 3 | 4 | 3.4 | CCC(C)c1ccc(O)c(NC(=S)NC(=O)c2cccnc2)c1 | nan | |||
| 14956799 | 106955 | None | 0 | Rabbit | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 509 | 10 | 2 | 8 | 4.0 | CCCCc1nn(Cc2ccccc2C(=O)O)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL314590 | 106955 | None | 0 | Rabbit | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 509 | 10 | 2 | 8 | 4.0 | CCCCc1nn(Cc2ccccc2C(=O)O)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956766 | 107035 | None | 0 | Rabbit | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 471 | 7 | 1 | 7 | 4.5 | CCCc1nn(-c2ccccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL315128 | 107035 | None | 0 | Rabbit | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 471 | 7 | 1 | 7 | 4.5 | CCCc1nn(-c2ccccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956813 | 208797 | None | 0 | Rabbit | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 477 | 9 | 1 | 7 | 4.1 | O=c1n(CCc2ccccc2)nc(CC2CC2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87330 | 208797 | None | 0 | Rabbit | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | ChEMBL | 477 | 9 | 1 | 7 | 4.1 | O=c1n(CCc2ccccc2)nc(CC2CC2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 44211606 | 101267 | None | 0 | Bovine | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 591 | 10 | 1 | 10 | 5.2 | CCCCc1nc2ccc(C3(C)CC(C(=O)OCC)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL295905 | 101267 | None | 0 | Bovine | Functional | pIC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 591 | 10 | 1 | 10 | 5.2 | CCCCc1nc2ccc(C3(C)CC(C(=O)OCC)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 44246747 | 55853 | None | 0 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 429 | 3 | 2 | 5 | 3.2 | O=C1/C(=C/c2ccccc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)C1O5 | nan | |||
| CHEMBL1521291 | 55853 | None | 0 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 429 | 3 | 2 | 5 | 3.2 | O=C1/C(=C/c2ccccc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)C1O5 | nan | |||
| CHEMBL1623128 | 55853 | None | 0 | Human | Functional | pIC50 | = | 4.9 | 4.9 | - | 1 | ChEMBL | 429 | 3 | 2 | 5 | 3.2 | O=C1/C(=C/c2ccccc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)C1O5 | nan | |||
| 135501733 | 37071 | None | 14 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -1 | 2 | ChEMBL | 336 | 3 | 2 | 5 | 2.4 | Cc1nc(-n2nc3c(c2O)CCCC3)[nH]c(=O)c1Cc1ccccc1 | nan | |||
| CHEMBL1452116 | 37071 | None | 14 | Human | Functional | pIC50 | = | 4.9 | 4.9 | -1 | 2 | ChEMBL | 336 | 3 | 2 | 5 | 2.4 | Cc1nc(-n2nc3c(c2O)CCCC3)[nH]c(=O)c1Cc1ccccc1 | nan | |||
| 2898747 | 36776 | None | 9 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 418 | 6 | 0 | 7 | 1.8 | O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 | nan | |||
| CHEMBL1449757 | 36776 | None | 9 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 418 | 6 | 0 | 7 | 1.8 | O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 | nan | |||
| 788619 | 45581 | None | 7 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 273 | 4 | 1 | 2 | 4.3 | Cc1ccc(C)c(NCC(=O)c2ccc(Cl)cc2)c1 | nan | |||
| CHEMBL1528883 | 45581 | None | 7 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 273 | 4 | 1 | 2 | 4.3 | Cc1ccc(C)c(NCC(=O)c2ccc(Cl)cc2)c1 | nan | |||
| 3648468 | 51522 | None | 5 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 373 | 4 | 1 | 3 | 4.6 | O=C(CNc1ccc(Br)cc1)c1ccc(Br)s1 | nan | |||
| CHEMBL1582697 | 51522 | None | 5 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 373 | 4 | 1 | 3 | 4.6 | O=C(CNc1ccc(Br)cc1)c1ccc(Br)s1 | nan | |||
| 135419079 | 30234 | None | 4 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 4 | ChEMBL | 340 | 2 | 2 | 5 | 4.0 | Cc1[nH]c2ccccc2c1/C=C1\SC(=N)N(c2nccs2)C1=O | nan | |||
| CHEMBL1390716 | 30234 | None | 4 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 4 | ChEMBL | 340 | 2 | 2 | 5 | 4.0 | Cc1[nH]c2ccccc2c1/C=C1\SC(=N)N(c2nccs2)C1=O | nan | |||
| 877472 | 36686 | None | 5 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 323 | 4 | 1 | 2 | 4.4 | O=C(CNc1cccc(Cl)c1)c1ccc(Br)cc1 | nan | |||
| CHEMBL1449035 | 36686 | None | 5 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 323 | 4 | 1 | 2 | 4.4 | O=C(CNc1cccc(Cl)c1)c1ccc(Br)cc1 | nan | |||
| 902793 | 43227 | None | 12 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 309 | 4 | 0 | 4 | 3.4 | O=C(COC(=O)c1ccncc1)c1ccc(Cl)c(Cl)c1 | nan | |||
| CHEMBL1505893 | 43227 | None | 12 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 309 | 4 | 0 | 4 | 3.4 | O=C(COC(=O)c1ccncc1)c1ccc(Cl)c(Cl)c1 | nan | |||
| 67903280 | 186308 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | 4 | 2 | ChEMBL | 430 | 8 | 1 | 5 | 4.9 | CCCCC1=NC(C)(C(C)C)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.1c00240 | |||
| CHEMBL4872989 | 186308 | None | 0 | Human | Functional | pIC50 | = | 7.8 | 7.8 | 4 | 2 | ChEMBL | 430 | 8 | 1 | 5 | 4.9 | CCCCC1=NC(C)(C(C)C)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.1c00240 | |||
| 44355662 | 26470 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | 125 | 2 | ChEMBL | 506 | 6 | 1 | 5 | 6.7 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2Cc2cc(Cl)c(Cl)cc2C(=O)O)c1 | 10.1021/jm00078a013 | |||
| CHEMBL135999 | 26470 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | 125 | 2 | ChEMBL | 506 | 6 | 1 | 5 | 6.7 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2Cc2cc(Cl)c(Cl)cc2C(=O)O)c1 | 10.1021/jm00078a013 | |||
| 10004013 | 116757 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 452 | 7 | 1 | 7 | 4.4 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(C)C(c2ccccc2)c2nnn[nH]2)cc1 | 10.1021/jm00078a014 | |||
| CHEMBL337217 | 116757 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 452 | 7 | 1 | 7 | 4.4 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(C)C(c2ccccc2)c2nnn[nH]2)cc1 | 10.1021/jm00078a014 | |||
| 14956744 | 208621 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 481 | 9 | 1 | 8 | 4.3 | CCCCc1nn(-c2cccc(OC)c2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL86255 | 208621 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 481 | 9 | 1 | 8 | 4.3 | CCCCc1nn(-c2cccc(OC)c2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 1726745 | 23938 | None | 8 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 390 | 8 | 1 | 6 | 3.4 | O=C(CCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1Cl | nan | |||
| CHEMBL1337184 | 23938 | None | 8 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 390 | 8 | 1 | 6 | 3.4 | O=C(CCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1Cl | nan | |||
| 5731702 | 186758 | None | 7 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 277 | 3 | 1 | 3 | 4.1 | COc1cccc(/C=C/c2ccc3cccc(O)c3n2)c1 | nan | |||
| CHEMBL488140 | 186758 | None | 7 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 277 | 3 | 1 | 3 | 4.1 | COc1cccc(/C=C/c2ccc3cccc(O)c3n2)c1 | nan | |||
| 2476054 | 47911 | None | 2 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 347 | 3 | 3 | 4 | 3.9 | FC(F)(F)c1cnc(NN=C(S)Nc2cccnc2)c(Cl)c1 | nan | |||
| CHEMBL1549272 | 47911 | None | 2 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 347 | 3 | 3 | 4 | 3.9 | FC(F)(F)c1cnc(NN=C(S)Nc2cccnc2)c(Cl)c1 | nan | |||
| 2458676 | 31418 | None | 2 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 373 | 6 | 1 | 6 | 2.4 | CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc3ccccc3o2)c1 | nan | |||
| CHEMBL1402558 | 31418 | None | 2 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 373 | 6 | 1 | 6 | 2.4 | CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc3ccccc3o2)c1 | nan | |||
| 2221657 | 34524 | None | 8 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -3 | 2 | ChEMBL | 353 | 2 | 0 | 5 | 3.6 | O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(Cl)cn1 | nan | |||
| CHEMBL1428950 | 34524 | None | 8 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -3 | 2 | ChEMBL | 353 | 2 | 0 | 5 | 3.6 | O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(Cl)cn1 | nan | |||
| 44342039 | 10295 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | -21 | 3 | ChEMBL | 418 | 7 | 1 | 3 | 5.7 | CCCCC1=NC2(CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1021/acsmedchemlett.1c00240 | |||
| CHEMBL116170 | 10295 | None | 0 | Human | Functional | pIC50 | = | 6.8 | 6.8 | -21 | 3 | ChEMBL | 418 | 7 | 1 | 3 | 5.7 | CCCCC1=NC2(CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1021/acsmedchemlett.1c00240 | |||
| 2426360 | 46901 | None | 3 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -8 | 2 | ChEMBL | 382 | 3 | 3 | 3 | 4.6 | Fc1ccc(N=C(S)NNc2ncc(C(F)(F)F)cc2Cl)c(F)c1 | nan | |||
| CHEMBL1540808 | 46901 | None | 3 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -8 | 2 | ChEMBL | 382 | 3 | 3 | 3 | 4.6 | Fc1ccc(N=C(S)NNc2ncc(C(F)(F)F)cc2Cl)c(F)c1 | nan | |||
| 9653239 | 107704 | None | 4 | Human | Functional | pIC50 | = | 5.8 | 5.8 | - | 1 | ChEMBL | 291 | 3 | 2 | 4 | 2.7 | O=C(N/N=C/c1cccc2cccnc12)c1ccccc1O | nan | |||
| CHEMBL3190198 | 107704 | None | 4 | Human | Functional | pIC50 | = | 5.8 | 5.8 | - | 1 | ChEMBL | 291 | 3 | 2 | 4 | 2.7 | O=C(N/N=C/c1cccc2cccnc12)c1ccccc1O | nan | |||
| 5730138 | 34803 | None | 9 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 307 | 4 | 1 | 4 | 4.1 | COc1cccc(/C=C/c2ccc3cccc(O)c3n2)c1OC | nan | |||
| CHEMBL1431014 | 34803 | None | 9 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 307 | 4 | 1 | 4 | 4.1 | COc1cccc(/C=C/c2ccc3cccc(O)c3n2)c1OC | nan | |||
| 12005285 | 53080 | None | 5 | Human | Functional | pIC50 | = | 5.8 | 5.8 | 3 | 2 | ChEMBL | 402 | 8 | 1 | 9 | 4.0 | CC(=O)OCCCNc1cc(Sc2ccc(C)cc2)c2nonc2c1[N+](=O)[O-] | nan | |||
| CHEMBL1597454 | 53080 | None | 5 | Human | Functional | pIC50 | = | 5.8 | 5.8 | 3 | 2 | ChEMBL | 402 | 8 | 1 | 9 | 4.0 | CC(=O)OCCCNc1cc(Sc2ccc(C)cc2)c2nonc2c1[N+](=O)[O-] | nan | |||
| 1767917 | 31244 | None | 8 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -3 | 2 | ChEMBL | 375 | 5 | 3 | 4 | 2.2 | Cc1nn(CCC(=O)NNC(S)=NCC(C)C)c(C)c1Br | nan | |||
| CHEMBL1401122 | 31244 | None | 8 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -3 | 2 | ChEMBL | 375 | 5 | 3 | 4 | 2.2 | Cc1nn(CCC(=O)NNC(S)=NCC(C)C)c(C)c1Br | nan | |||
| 14956806 | 106986 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 497 | 10 | 1 | 8 | 5.0 | CCCCc1nn(CSc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL314810 | 106986 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 497 | 10 | 1 | 8 | 5.0 | CCCCc1nn(CSc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956768 | 107027 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 499 | 8 | 1 | 7 | 5.2 | CC(C)CCc1nn(-c2ccccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL315077 | 107027 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 499 | 8 | 1 | 7 | 5.2 | CC(C)CCc1nn(-c2ccccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956745 | 208727 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 465 | 8 | 1 | 7 | 4.6 | CCCCc1nn(-c2ccc(C)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL86906 | 208727 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 465 | 8 | 1 | 7 | 4.6 | CCCCc1nn(-c2ccc(C)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14951062 | 208849 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | -1 | 2 | ChEMBL | 429 | 9 | 1 | 7 | 3.7 | CCCCc1nn(CC2CC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87669 | 208849 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | -1 | 2 | ChEMBL | 429 | 9 | 1 | 7 | 3.7 | CCCCc1nn(CC2CC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 131590 | 20710 | None | 37 | Human | Functional | pIC50 | = | 7.8 | 7.8 | 1 | 2 | ChEMBL | 524 | 9 | 3 | 4 | 7.2 | CCCCc1nc2ccc(NC(=O)NC3CCCCC3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.6019/CHEMBL5442687 | |||
| CHEMBL130896 | 20710 | None | 37 | Human | Functional | pIC50 | = | 7.8 | 7.8 | 1 | 2 | ChEMBL | 524 | 9 | 3 | 4 | 7.2 | CCCCc1nc2ccc(NC(=O)NC3CCCCC3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.6019/CHEMBL5442687 | |||
| 14971694 | 14698 | None | 0 | Rabbit | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 416 | 8 | 2 | 6 | 4.0 | CCCc1n[nH]c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL120605 | 14698 | None | 0 | Rabbit | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 416 | 8 | 2 | 6 | 4.0 | CCCc1n[nH]c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 44355660 | 21564 | None | 0 | Rabbit | Functional | pIC50 | = | 6.8 | 6.8 | 89 | 2 | ChEMBL | 483 | 7 | 1 | 7 | 5.3 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2Cc2cccc([N+](=O)[O-])c2C(=O)O)c1 | 10.1021/jm00078a013 | |||
| CHEMBL131676 | 21564 | None | 0 | Rabbit | Functional | pIC50 | = | 6.8 | 6.8 | 89 | 2 | ChEMBL | 483 | 7 | 1 | 7 | 5.3 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2Cc2cccc([N+](=O)[O-])c2C(=O)O)c1 | 10.1021/jm00078a013 | |||
| 10410730 | 24626 | None | 0 | Rabbit | Functional | pIC50 | = | 5.8 | 5.8 | 6 | 2 | ChEMBL | 435 | 5 | 0 | 5 | 5.6 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(C#N)c1cccc(C)c1 | 10.1021/jm00078a013 | |||
| CHEMBL134307 | 24626 | None | 0 | Rabbit | Functional | pIC50 | = | 5.8 | 5.8 | 6 | 2 | ChEMBL | 435 | 5 | 0 | 5 | 5.6 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(C#N)c1cccc(C)c1 | 10.1021/jm00078a013 | |||
| 2898434 | 53884 | None | 10 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 406 | 6 | 0 | 7 | 1.9 | O=C(CN1C(=O)C2CC=CCC2C1=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 | nan | |||
| CHEMBL1604741 | 53884 | None | 10 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 406 | 6 | 0 | 7 | 1.9 | O=C(CN1C(=O)C2CC=CCC2C1=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 | nan | |||
| 3532334 | 42366 | None | 8 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 303 | 2 | 1 | 4 | 3.2 | O=c1c2cc(Cl)ccc2[nH]c(=S)n1Cc1ccccn1 | nan | |||
| CHEMBL1498428 | 42366 | None | 8 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 303 | 2 | 1 | 4 | 3.2 | O=c1c2cc(Cl)ccc2[nH]c(=S)n1Cc1ccccn1 | nan | |||
| 2640418 | 22155 | None | 4 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 377 | 6 | 0 | 6 | 2.5 | O=C(COC(=O)c1ccco1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | nan | |||
| CHEMBL1322344 | 22155 | None | 4 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 377 | 6 | 0 | 6 | 2.5 | O=C(COC(=O)c1ccco1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | nan | |||
| 5687785 | 108460 | None | 1 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 346 | 5 | 1 | 5 | 3.2 | O=C(N/N=C(\c1ccccc1)c1ccccn1)c1cccc([N+](=O)[O-])c1 | nan | |||
| CHEMBL3198576 | 108460 | None | 1 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 346 | 5 | 1 | 5 | 3.2 | O=C(N/N=C(\c1ccccc1)c1ccccn1)c1cccc([N+](=O)[O-])c1 | nan | |||
| 5735740 | 41664 | None | 7 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 321 | 5 | 1 | 4 | 4.5 | CCOc1cccc(/C=C/c2ccc3cccc(O)c3n2)c1OC | nan | |||
| CHEMBL1491932 | 41664 | None | 7 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 321 | 5 | 1 | 4 | 4.5 | CCOc1cccc(/C=C/c2ccc3cccc(O)c3n2)c1OC | nan | |||
| 2320855 | 36562 | None | 4 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 333 | 4 | 4 | 7 | 0.6 | O=C1OCC(CO)(CO)N=C1NNc1ccc(Cl)c(Cl)c1 | nan | |||
| CHEMBL1448161 | 36562 | None | 4 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 333 | 4 | 4 | 7 | 0.6 | O=C1OCC(CO)(CO)N=C1NNc1ccc(Cl)c(Cl)c1 | nan | |||
| 5091521 | 25303 | None | 5 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 402 | 2 | 2 | 9 | 2.9 | CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(NN)ncnc4c23)CS1 | nan | |||
| CHEMBL1348954 | 25303 | None | 5 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 402 | 2 | 2 | 9 | 2.9 | CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(NN)ncnc4c23)CS1 | nan | |||
| 2121806 | 42079 | None | 3 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 266 | 4 | 1 | 6 | 2.3 | CCSc1nnc(NC(=O)c2ccccn2)s1 | nan | |||
| CHEMBL1495849 | 42079 | None | 3 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 266 | 4 | 1 | 6 | 2.3 | CCSc1nnc(NC(=O)c2ccccn2)s1 | nan | |||
| 2733001 | 29305 | None | 2 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 288 | 5 | 1 | 4 | 3.7 | Cc1ccc(C(C[N+](=O)[O-])Sc2ccc(N)cc2)cc1 | nan | |||
| CHEMBL1382939 | 29305 | None | 2 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 288 | 5 | 1 | 4 | 3.7 | Cc1ccc(C(C[N+](=O)[O-])Sc2ccc(N)cc2)cc1 | nan | |||
| 25162518 | 39865 | None | 3 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 417 | 8 | 0 | 6 | 2.7 | O=C(COc1ccccc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | nan | |||
| CHEMBL1477291 | 39865 | None | 3 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 417 | 8 | 0 | 6 | 2.7 | O=C(COc1ccccc1)OCC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | nan | |||
| 14956784 | 106613 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 447 | 9 | 1 | 9 | 2.5 | CCCCc1nn(CC(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL314179 | 106613 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 447 | 9 | 1 | 9 | 2.5 | CCCCc1nn(CC(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956764 | 208535 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 541 | 8 | 1 | 7 | 5.0 | CCCCc1nn(-c2c(F)c(F)c(F)c(F)c2F)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL85541 | 208535 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 541 | 8 | 1 | 7 | 5.0 | CCCCc1nn(-c2c(F)c(F)c(F)c(F)c2F)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 44355628 | 24914 | None | 0 | Rabbit | Functional | pIC50 | = | 6.8 | 6.8 | 5 | 2 | ChEMBL | 508 | 6 | 1 | 5 | 6.2 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2Cc1cc(Cl)c(Cl)cc1C(=O)O | 10.1021/jm00078a013 | |||
| CHEMBL134567 | 24914 | None | 0 | Rabbit | Functional | pIC50 | = | 6.8 | 6.8 | 5 | 2 | ChEMBL | 508 | 6 | 1 | 5 | 6.2 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2Cc1cc(Cl)c(Cl)cc1C(=O)O | 10.1021/jm00078a013 | |||
| 10095493 | 26056 | None | 0 | Rabbit | Functional | pIC50 | = | 6.8 | 6.8 | 93 | 2 | ChEMBL | 454 | 6 | 0 | 6 | 4.9 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(C(=O)OC)c1ccccc1 | 10.1021/jm00078a013 | |||
| CHEMBL135521 | 26056 | None | 0 | Rabbit | Functional | pIC50 | = | 6.8 | 6.8 | 93 | 2 | ChEMBL | 454 | 6 | 0 | 6 | 4.9 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(C(=O)OC)c1ccccc1 | 10.1021/jm00078a013 | |||
| 1336623 | 38298 | None | 15 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 350 | 5 | 0 | 6 | 3.5 | Cc1cc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2n1 | nan | |||
| CHEMBL1462517 | 38298 | None | 15 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 350 | 5 | 0 | 6 | 3.5 | Cc1cc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2n1 | nan | |||
| 2165745 | 34689 | None | 6 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 425 | 8 | 1 | 8 | 0.7 | O=C(CN1C(=O)c2ccccc2C1=O)NCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 | nan | |||
| CHEMBL1430172 | 34689 | None | 6 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 425 | 8 | 1 | 8 | 0.7 | O=C(CN1C(=O)c2ccccc2C1=O)NCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 | nan | |||
| 659805 | 21973 | None | 4 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -2 | 2 | ChEMBL | 302 | 1 | 2 | 4 | 3.7 | ON1C(c2ccc(Cl)cc2Cl)N(O)[C@@H]2CCCC[C@@H]21 | nan | |||
| CHEMBL1320678 | 21973 | None | 4 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -2 | 2 | ChEMBL | 302 | 1 | 2 | 4 | 3.7 | ON1C(c2ccc(Cl)cc2Cl)N(O)[C@@H]2CCCC[C@@H]21 | nan | |||
| 135415440 | 201506 | None | 12 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -10 | 5 | ChEMBL | 295 | 3 | 2 | 6 | 3.0 | Cc1ccc(Nc2cc(C)nn2-c2nc(C)cc(O)n2)cc1 | nan | |||
| CHEMBL586135 | 201506 | None | 12 | Human | Functional | pIC50 | = | 5.8 | 5.8 | -10 | 5 | ChEMBL | 295 | 3 | 2 | 6 | 3.0 | Cc1ccc(Nc2cc(C)nn2-c2nc(C)cc(O)n2)cc1 | nan | |||
| 579121 | 49146 | None | 7 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 377 | 4 | 1 | 4 | 4.7 | COc1ccc(NC2(c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)cc1 | nan | |||
| CHEMBL1561907 | 49146 | None | 7 | Human | Functional | pIC50 | = | 4.8 | 4.8 | -1 | 2 | ChEMBL | 377 | 4 | 1 | 4 | 4.7 | COc1ccc(NC2(c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)cc1 | nan | |||
| 24983202 | 27822 | None | 3 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 444 | 7 | 1 | 6 | 2.9 | CC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 | nan | |||
| CHEMBL1371002 | 27822 | None | 3 | Human | Functional | pIC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 444 | 7 | 1 | 6 | 2.9 | CC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 | nan | |||
| 14971686 | 15255 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 507 | 10 | 1 | 8 | 5.2 | CCCCc1nn(-c2ccccn2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL121125 | 15255 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 507 | 10 | 1 | 8 | 5.2 | CCCCc1nn(-c2ccccn2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 10414429 | 116061 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | 363 | 2 | ChEMBL | 522 | 5 | 1 | 5 | 5.9 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(=O)c1c(Cl)ccc(Cl)c1C(=O)O | 10.1021/jm00078a013 | |||
| CHEMBL335535 | 116061 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | 363 | 2 | ChEMBL | 522 | 5 | 1 | 5 | 5.9 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(=O)c1c(Cl)ccc(Cl)c1C(=O)O | 10.1021/jm00078a013 | |||
| 10322211 | 169575 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 464 | 6 | 1 | 7 | 4.3 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(c1ccccc1)c1nnn[nH]1 | 10.1021/jm00078a013 | |||
| CHEMBL442963 | 169575 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 464 | 6 | 1 | 7 | 4.3 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(c1ccccc1)c1nnn[nH]1 | 10.1021/jm00078a013 | |||
| 14956741 | 107110 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 465 | 8 | 1 | 7 | 4.6 | CCCCc1nn(-c2cccc(C)c2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL315615 | 107110 | None | 0 | Rabbit | Functional | pIC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | 465 | 8 | 1 | 7 | 4.6 | CCCCc1nn(-c2cccc(C)c2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 44292094 | 101499 | None | 0 | Bovine | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 585 | 9 | 1 | 9 | 6.4 | CCCCc1nc2ccc(C3CC(c4cc(C)co4)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL297583 | 101499 | None | 0 | Bovine | Functional | pIC50 | = | 6.8 | 6.8 | - | 1 | ChEMBL | 585 | 9 | 1 | 9 | 6.4 | CCCCc1nc2ccc(C3CC(c4cc(C)co4)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 23205 | 116984 | None | 33 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -7 | 2 | ChEMBL | 262 | 0 | 1 | 4 | 1.2 | C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@@H](O)[C@H]12 | nan | |||
| CHEMBL338474 | 116984 | None | 33 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -7 | 2 | ChEMBL | 262 | 0 | 1 | 4 | 1.2 | C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@@H](O)[C@H]12 | nan | |||
| 24981067 | 45217 | None | 3 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 480 | 8 | 1 | 7 | 1.8 | CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 | nan | |||
| CHEMBL1525764 | 45217 | None | 3 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 480 | 8 | 1 | 7 | 1.8 | CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 | nan | |||
| 768473 | 49985 | None | 4 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 267 | 6 | 0 | 2 | 3.9 | CCN(CC)CC(=O)c1ccc(-c2ccccc2)cc1 | nan | |||
| CHEMBL1568922 | 49985 | None | 4 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 267 | 6 | 0 | 2 | 3.9 | CCN(CC)CC(=O)c1ccc(-c2ccccc2)cc1 | nan | |||
| 4799115 | 24538 | None | 5 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 332 | 3 | 2 | 4 | 4.1 | O=C(Nc1nc(-c2ccccn2)cs1)Nc1ccc(F)cc1F | nan | |||
| CHEMBL1342423 | 24538 | None | 5 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 332 | 3 | 2 | 4 | 4.1 | O=C(Nc1nc(-c2ccccn2)cs1)Nc1ccc(F)cc1F | nan | |||
| 11957260 | 33021 | None | 5 | Human | Functional | pIC50 | = | 5.7 | 5.7 | 5 | 2 | ChEMBL | 389 | 6 | 2 | 10 | 3.3 | O=[N+]([O-])c1c(NCCO)cc(Sc2nc3ccccc3s2)c2nonc12 | nan | |||
| CHEMBL1416184 | 33021 | None | 5 | Human | Functional | pIC50 | = | 5.7 | 5.7 | 5 | 2 | ChEMBL | 389 | 6 | 2 | 10 | 3.3 | O=[N+]([O-])c1c(NCCO)cc(Sc2nc3ccccc3s2)c2nonc12 | nan | |||
| 1610 | 2347 | None | 64 | Rat | Functional | pIC50 | = | 7.7 | 7.7 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00057a009 | |||
| 3941 | 2347 | None | 64 | Rat | Functional | pIC50 | = | 7.7 | 7.7 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00057a009 | |||
| 3961 | 2347 | None | 64 | Rat | Functional | pIC50 | = | 7.7 | 7.7 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00057a009 | |||
| 3961.0 | 2347 | None | 64 | Rat | Functional | pIC50 | = | 7.7 | 7.7 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00057a009 | |||
| 590 | 2347 | None | 64 | Rat | Functional | pIC50 | = | 7.7 | 7.7 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00057a009 | |||
| CHEMBL191 | 2347 | None | 64 | Rat | Functional | pIC50 | = | 7.7 | 7.7 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00057a009 | |||
| DB00678 | 2347 | None | 64 | Rat | Functional | pIC50 | = | 7.7 | 7.7 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00057a009 | |||
| 1610 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00069a015 | |||
| 3941 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00069a015 | |||
| 3961 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00069a015 | |||
| 3961.0 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00069a015 | |||
| 590 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00069a015 | |||
| CHEMBL191 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00069a015 | |||
| DB00678 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00069a015 | |||
| 10069786 | 169204 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | -19 | 3 | ChEMBL | 404 | 7 | 1 | 3 | 5.3 | CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1021/acsmedchemlett.1c00240 | |||
| CHEMBL439968 | 169204 | None | 0 | Human | Functional | pIC50 | = | 6.7 | 6.7 | -19 | 3 | ChEMBL | 404 | 7 | 1 | 3 | 5.3 | CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1021/acsmedchemlett.1c00240 | |||
| 10393397 | 22807 | None | 0 | Rabbit | Functional | pIC50 | = | 5.7 | 5.7 | 6 | 2 | ChEMBL | 578 | 8 | 1 | 5 | 7.3 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(CC)C(C(=O)O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 | 10.1021/jm00078a014 | |||
| CHEMBL132807 | 22807 | None | 0 | Rabbit | Functional | pIC50 | = | 5.7 | 5.7 | 6 | 2 | ChEMBL | 578 | 8 | 1 | 5 | 7.3 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(CC)C(C(=O)O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 | 10.1021/jm00078a014 | |||
| 568849 | 31729 | None | 6 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 313 | 7 | 0 | 5 | 3.0 | O=C(CCc1ccccc1)OCC(=O)c1cccc([N+](=O)[O-])c1 | nan | |||
| CHEMBL1405657 | 31729 | None | 6 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 313 | 7 | 0 | 5 | 3.0 | O=C(CCc1ccccc1)OCC(=O)c1cccc([N+](=O)[O-])c1 | nan | |||
| 5720743 | 108306 | None | 9 | Human | Functional | pIC50 | = | 5.7 | 5.7 | - | 1 | ChEMBL | 257 | 3 | 1 | 3 | 2.4 | C/C(=N\NC(=O)c1ccc(F)cc1)c1ccccn1 | nan | |||
| CHEMBL3197070 | 108306 | None | 9 | Human | Functional | pIC50 | = | 5.7 | 5.7 | - | 1 | ChEMBL | 257 | 3 | 1 | 3 | 2.4 | C/C(=N\NC(=O)c1ccc(F)cc1)c1ccccn1 | nan | |||
| 761850 | 38805 | None | 7 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 300 | 5 | 0 | 6 | 2.3 | Cc1ccc(C(=O)COC(=O)c2ccncc2)cc1[N+](=O)[O-] | nan | |||
| CHEMBL1466556 | 38805 | None | 7 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 300 | 5 | 0 | 6 | 2.3 | Cc1ccc(C(=O)COC(=O)c2ccncc2)cc1[N+](=O)[O-] | nan | |||
| 142534050 | 167062 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 545 | 11 | 1 | 7 | 5.2 | CCCCc1nc(C)c(CC(=S)N(CC)CC)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| CHEMBL4287379 | 167062 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 545 | 11 | 1 | 7 | 5.2 | CCCCc1nc(C)c(CC(=S)N(CC)CC)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| 14971712 | 99657 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 402 | 8 | 3 | 5 | 3.9 | CCCCc1n[nH]c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL283975 | 99657 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 402 | 8 | 3 | 5 | 3.9 | CCCCc1n[nH]c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 14956756 | 208829 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 529 | 8 | 1 | 7 | 5.0 | CCCCc1nn(-c2ccccc2Br)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87513 | 208829 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 529 | 8 | 1 | 7 | 5.0 | CCCCc1nn(-c2ccccc2Br)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 20081627 | 92204 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | -1 | 2 | ChEMBL | 502 | 6 | 2 | 7 | 4.7 | CC1CC(=O)NN=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1 | 10.1016/S0960-894X(01)80348-6 | |||
| CHEMBL24224 | 92204 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | -1 | 2 | ChEMBL | 502 | 6 | 2 | 7 | 4.7 | CC1CC(=O)NN=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1 | 10.1016/S0960-894X(01)80348-6 | |||
| 44459871 | 92582 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 573 | 8 | 1 | 8 | 4.2 | CN(C)C(=O)CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nn[nH]n5)cc4)c3c2)CCC1=O | 10.1016/S0960-894X(01)80348-6 | |||
| CHEMBL2079791 | 92582 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 573 | 8 | 1 | 8 | 4.2 | CN(C)C(=O)CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nn[nH]n5)cc4)c3c2)CCC1=O | 10.1016/S0960-894X(01)80348-6 | |||
| CHEMBL24319 | 92582 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 573 | 8 | 1 | 8 | 4.2 | CN(C)C(=O)CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nn[nH]n5)cc4)c3c2)CCC1=O | 10.1016/S0960-894X(01)80348-6 | |||
| 44459655 | 93278 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 575 | 9 | 1 | 8 | 4.3 | CCCc1nc2ccc(C3=NN(CC(=O)N(C)C)C(=O)CC3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(01)80348-6 | |||
| CHEMBL2079788 | 93278 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 575 | 9 | 1 | 8 | 4.3 | CCCc1nc2ccc(C3=NN(CC(=O)N(C)C)C(=O)CC3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(01)80348-6 | |||
| CHEMBL24478 | 93278 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 575 | 9 | 1 | 8 | 4.3 | CCCc1nc2ccc(C3=NN(CC(=O)N(C)C)C(=O)CC3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(01)80348-6 | |||
| 44459835 | 168142 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 587 | 8 | 1 | 8 | 4.5 | CC1CC(=O)N(CC(=O)N(C)C)N=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1 | 10.1016/S0960-894X(01)80348-6 | |||
| CHEMBL2079790 | 168142 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 587 | 8 | 1 | 8 | 4.5 | CC1CC(=O)N(CC(=O)N(C)C)N=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1 | 10.1016/S0960-894X(01)80348-6 | |||
| CHEMBL432271 | 168142 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 587 | 8 | 1 | 8 | 4.5 | CC1CC(=O)N(CC(=O)N(C)C)N=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1 | 10.1016/S0960-894X(01)80348-6 | |||
| 44459654 | 168213 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 601 | 8 | 1 | 8 | 4.9 | CN(C)C(=O)CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nn[nH]n5)cc4)c3c2)C(C)(C)CC1=O | 10.1016/S0960-894X(01)80348-6 | |||
| CHEMBL2079787 | 168213 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 601 | 8 | 1 | 8 | 4.9 | CN(C)C(=O)CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nn[nH]n5)cc4)c3c2)C(C)(C)CC1=O | 10.1016/S0960-894X(01)80348-6 | |||
| CHEMBL432847 | 168213 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 601 | 8 | 1 | 8 | 4.9 | CN(C)C(=O)CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nn[nH]n5)cc4)c3c2)C(C)(C)CC1=O | 10.1016/S0960-894X(01)80348-6 | |||
| 22942227 | 70902 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 569 | 10 | 1 | 9 | 3.5 | CCCCc1nc(C)c(CC(=O)N2CCC[C@H]2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951130 | 70902 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 569 | 10 | 1 | 9 | 3.5 | CCCCc1nc(C)c(CC(=O)N2CCC[C@H]2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 22942226 | 70903 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 554 | 10 | 2 | 8 | 2.8 | CCCCc1nc(C)c(CC(=O)N2CCC[C@H]2C(N)=O)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951131 | 70903 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 554 | 10 | 2 | 8 | 2.8 | CCCCc1nc(C)c(CC(=O)N2CCC[C@H]2C(N)=O)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 142534121 | 166817 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 559 | 11 | 1 | 7 | 5.4 | CCCCc1nc(C)c(CC(=S)N(C)CC(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| CHEMBL4282931 | 166817 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 559 | 11 | 1 | 7 | 5.4 | CCCCc1nc(C)c(CC(=S)N(C)CC(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| 14971638 | 114939 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 478 | 9 | 2 | 6 | 5.5 | CCCCc1nc(-c2ccccc2)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL334192 | 114939 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 478 | 9 | 2 | 6 | 5.5 | CCCCc1nc(-c2ccccc2)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 9845644 | 208891 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | 5 | 2 | ChEMBL | 431 | 9 | 1 | 7 | 4.3 | CCCCc1nn(C(C)CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87964 | 208891 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | 5 | 2 | ChEMBL | 431 | 9 | 1 | 7 | 4.3 | CCCCc1nn(C(C)CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956779 | 68685 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 445 | 8 | 1 | 7 | 4.3 | CCCCc1nn(CC(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL19202 | 68685 | None | 0 | Rabbit | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 445 | 8 | 1 | 7 | 4.3 | CCCCc1nn(CC(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 142533975 | 167144 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 571 | 10 | 1 | 7 | 5.7 | CCCCc1nc(C(C)C)c(CC(=S)N2CCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| CHEMBL4288964 | 167144 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 571 | 10 | 1 | 7 | 5.7 | CCCCc1nc(C(C)C)c(CC(=S)N2CCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| 155517399 | 170284 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 557 | 10 | 1 | 6 | 6.8 | CCCCC1=NC(C(C)C)=C(CC(=S)N2CCCC2)CN1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.12.043 | |||
| CHEMBL4444760 | 170284 | None | 0 | Human | Functional | pIC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 557 | 10 | 1 | 6 | 6.8 | CCCCC1=NC(C(C)C)=C(CC(=S)N2CCCC2)CN1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.12.043 | |||
| 14971699 | 112846 | None | 0 | Rabbit | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 512 | 9 | 2 | 6 | 6.0 | CCCCc1nn(-c2cccc(Cl)c2)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL330571 | 112846 | None | 0 | Rabbit | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 512 | 9 | 2 | 6 | 6.0 | CCCCc1nn(-c2cccc(Cl)c2)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 44213343 | 70898 | None | 29 | Rabbit | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 485 | 9 | 1 | 7 | 3.4 | CCCCc1nc(C)c(CC(=O)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951126 | 70898 | None | 29 | Rabbit | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 485 | 9 | 1 | 7 | 3.4 | CCCCc1nc(C)c(CC(=O)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 9935106 | 65303 | None | 0 | Rabbit | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 485 | 8 | 1 | 7 | 4.9 | CCCCc1nn(-c2ccccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL18287 | 65303 | None | 0 | Rabbit | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 485 | 8 | 1 | 7 | 4.9 | CCCCc1nn(-c2ccccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 44213346 | 70904 | None | 0 | Rabbit | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 525 | 9 | 1 | 7 | 4.3 | CCCCc1nc(C)c(CC(=O)N2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951132 | 70904 | None | 0 | Rabbit | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 525 | 9 | 1 | 7 | 4.3 | CCCCc1nc(C)c(CC(=O)N2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 14971709 | 15353 | None | 0 | Rabbit | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 553 | 11 | 2 | 9 | 5.3 | CCCCc1nn(-c2ccc(OC)cc2[N+](=O)[O-])c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL121416 | 15353 | None | 0 | Rabbit | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 553 | 11 | 2 | 9 | 5.3 | CCCCc1nn(-c2ccc(OC)cc2[N+](=O)[O-])c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 57401930 | 70892 | None | 0 | Rabbit | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 500 | 11 | 1 | 8 | 4.3 | CCCCc1nc(C)c(CCC(=O)OCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951120 | 70892 | None | 0 | Rabbit | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 500 | 11 | 1 | 8 | 4.3 | CCCCc1nc(C)c(CCC(=O)OCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 44213342 | 70895 | None | 18 | Rabbit | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 458 | 9 | 2 | 7 | 3.4 | CCCCc1nc(C)c(CC(=O)O)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951123 | 70895 | None | 18 | Rabbit | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 458 | 9 | 2 | 7 | 3.4 | CCCCc1nc(C)c(CC(=O)O)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 14971713 | 168086 | None | 0 | Rabbit | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 430 | 9 | 2 | 6 | 4.4 | CCCCc1nn(CC)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL431887 | 168086 | None | 0 | Rabbit | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 430 | 9 | 2 | 6 | 4.4 | CCCCc1nn(CC)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 57393227 | 70906 | None | 0 | Rabbit | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 543 | 9 | 1 | 8 | 3.9 | CCCCc1nc(C)c(CC(=O)N2CCSCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951134 | 70906 | None | 0 | Rabbit | Functional | pIC50 | = | 8.6 | 8.6 | - | 1 | ChEMBL | 543 | 9 | 1 | 8 | 3.9 | CCCCc1nc(C)c(CC(=O)N2CCSCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 108185 | 1614 | None | 50 | Rabbit | Functional | pIC50 | = | 8.6 | 8.6 | -3 | 5 | ChEMBL | 436 | 8 | 2 | 6 | 4.5 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl | 10.1021/jm00075a014 | |||
| 586 | 1614 | None | 50 | Rabbit | Functional | pIC50 | = | 8.6 | 8.6 | -3 | 5 | ChEMBL | 436 | 8 | 2 | 6 | 4.5 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl | 10.1021/jm00075a014 | |||
| CHEMBL907 | 1614 | None | 50 | Rabbit | Functional | pIC50 | = | 8.6 | 8.6 | -3 | 5 | ChEMBL | 436 | 8 | 2 | 6 | 4.5 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl | 10.1021/jm00075a014 | |||
| 14971697 | 111604 | None | 0 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 478 | 9 | 2 | 6 | 5.4 | CCCCc1nn(-c2ccccc2)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL327982 | 111604 | None | 0 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 478 | 9 | 2 | 6 | 5.4 | CCCCc1nn(-c2ccccc2)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 10298977 | 208781 | None | 0 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 471 | 9 | 1 | 7 | 4.9 | CCCCc1nn(CC2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87239 | 208781 | None | 0 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 471 | 9 | 1 | 7 | 4.9 | CCCCc1nn(CC2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 131654 | 208861 | None | 10 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | 1 | 2 | ChEMBL | 431 | 10 | 1 | 7 | 4.1 | CCCCc1nn(CCCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87778 | 208861 | None | 10 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | 1 | 2 | ChEMBL | 431 | 10 | 1 | 7 | 4.1 | CCCCc1nn(CCCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 1481 | 2066 | None | 66 | Human | Functional | pIC50 | = | 8.5 | 8.5 | -2 | 6 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.6019/CHEMBL5442687 | |||
| 3749 | 2066 | None | 66 | Human | Functional | pIC50 | = | 8.5 | 8.5 | -2 | 6 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.6019/CHEMBL5442687 | |||
| 3749.0 | 2066 | None | 66 | Human | Functional | pIC50 | = | 8.5 | 8.5 | -2 | 6 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.6019/CHEMBL5442687 | |||
| 589 | 2066 | None | 66 | Human | Functional | pIC50 | = | 8.5 | 8.5 | -2 | 6 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.6019/CHEMBL5442687 | |||
| 6908 | 2066 | None | 66 | Human | Functional | pIC50 | = | 8.5 | 8.5 | -2 | 6 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.6019/CHEMBL5442687 | |||
| CHEMBL1513 | 2066 | None | 66 | Human | Functional | pIC50 | = | 8.5 | 8.5 | -2 | 6 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.6019/CHEMBL5442687 | |||
| DB01029 | 2066 | None | 66 | Human | Functional | pIC50 | = | 8.5 | 8.5 | -2 | 6 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.6019/CHEMBL5442687 | |||
| 14971683 | 14868 | None | 0 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 536 | 11 | 1 | 8 | 5.8 | CCCCc1nn(-c2ccc(OC)cc2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL120750 | 14868 | None | 0 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 536 | 11 | 1 | 8 | 5.8 | CCCCc1nn(-c2ccc(OC)cc2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 14971692 | 113016 | None | 0 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 560 | 9 | 1 | 7 | 6.7 | CCCc1nn(-c2c(Cl)cccc2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL331078 | 113016 | None | 0 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 560 | 9 | 1 | 7 | 6.7 | CCCc1nn(-c2c(Cl)cccc2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 10026868 | 23867 | None | 0 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | 331 | 2 | ChEMBL | 452 | 5 | 1 | 6 | 5.0 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2C(=O)c2ccccc2C(=O)O)c1 | 10.1021/jm00078a013 | |||
| CHEMBL133653 | 23867 | None | 0 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | 331 | 2 | ChEMBL | 452 | 5 | 1 | 6 | 5.0 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2C(=O)c2ccccc2C(=O)O)c1 | 10.1021/jm00078a013 | |||
| 14956766 | 107035 | None | 0 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 471 | 7 | 1 | 7 | 4.5 | CCCc1nn(-c2ccccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL315128 | 107035 | None | 0 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 471 | 7 | 1 | 7 | 4.5 | CCCc1nn(-c2ccccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 2540 | 4402 | None | 68 | Rabbit | Functional | pIC50 | = | 6.7 | 6.7 | -28 | 28 | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL1014 | 4402 | None | 68 | Rabbit | Functional | pIC50 | = | 6.7 | 6.7 | -28 | 28 | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| 10409549 | 116042 | None | 0 | Rabbit | Functional | pIC50 | = | 6.7 | 6.7 | 104 | 2 | ChEMBL | 414 | 7 | 2 | 5 | 4.9 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(NC(C(=O)O)c2ccccc2)cc1 | 10.1021/jm00078a014 | |||
| CHEMBL335514 | 116042 | None | 0 | Rabbit | Functional | pIC50 | = | 6.7 | 6.7 | 104 | 2 | ChEMBL | 414 | 7 | 2 | 5 | 4.9 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(NC(C(=O)O)c2ccccc2)cc1 | 10.1021/jm00078a014 | |||
| 10345459 | 116834 | None | 0 | Rabbit | Functional | pIC50 | = | 6.7 | 6.7 | 43 | 2 | ChEMBL | 490 | 9 | 1 | 5 | 5.8 | C=CCN(c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1)C(C(=O)O)c1cc(F)ccc1F | 10.1021/jm00078a014 | |||
| CHEMBL337663 | 116834 | None | 0 | Rabbit | Functional | pIC50 | = | 6.7 | 6.7 | 43 | 2 | ChEMBL | 490 | 9 | 1 | 5 | 5.8 | C=CCN(c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1)C(C(=O)O)c1cc(F)ccc1F | 10.1021/jm00078a014 | |||
| 25163176 | 44106 | None | 3 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 431 | 8 | 0 | 6 | 2.8 | COc1ccc(CC(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 | nan | |||
| CHEMBL1514866 | 44106 | None | 3 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 431 | 8 | 0 | 6 | 2.8 | COc1ccc(CC(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 | nan | |||
| 3116640 | 20414 | None | 9 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 542 | 6 | 0 | 7 | 2.1 | O=C(CN1C(=O)C2C3CC(C(Br)C3Br)C2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 | nan | |||
| CHEMBL1306605 | 20414 | None | 9 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 542 | 6 | 0 | 7 | 2.1 | O=C(CN1C(=O)C2C3CC(C(Br)C3Br)C2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 | nan | |||
| 1653162 | 50011 | None | 6 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 335 | 3 | 3 | 5 | 1.7 | COc1ccccc1C(=O)NNC(=S)NC(=O)c1cccs1 | nan | |||
| CHEMBL1569107 | 50011 | None | 6 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 335 | 3 | 3 | 5 | 1.7 | COc1ccccc1C(=O)NNC(=S)NC(=O)c1cccs1 | nan | |||
| 11957180 | 22752 | None | 5 | Human | Functional | pIC50 | = | 5.7 | 5.7 | 6 | 2 | ChEMBL | 403 | 7 | 2 | 10 | 3.7 | O=[N+]([O-])c1c(NCCCO)cc(Sc2nc3ccccc3s2)c2nonc12 | nan | |||
| CHEMBL1327721 | 22752 | None | 5 | Human | Functional | pIC50 | = | 5.7 | 5.7 | 6 | 2 | ChEMBL | 403 | 7 | 2 | 10 | 3.7 | O=[N+]([O-])c1c(NCCCO)cc(Sc2nc3ccccc3s2)c2nonc12 | nan | |||
| 11957209 | 43048 | None | 5 | Human | Functional | pIC50 | = | 5.7 | 5.7 | 6 | 2 | ChEMBL | 445 | 8 | 1 | 11 | 4.3 | CC(=O)OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+](=O)[O-] | nan | |||
| CHEMBL1504429 | 43048 | None | 5 | Human | Functional | pIC50 | = | 5.7 | 5.7 | 6 | 2 | ChEMBL | 445 | 8 | 1 | 11 | 4.3 | CC(=O)OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+](=O)[O-] | nan | |||
| 9550611 | 49778 | None | 5 | Human | Functional | pIC50 | = | 5.7 | 5.7 | - | 1 | ChEMBL | 403 | 6 | 1 | 10 | 3.3 | CN(CCO)c1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+](=O)[O-] | nan | |||
| CHEMBL1567159 | 49778 | None | 5 | Human | Functional | pIC50 | = | 5.7 | 5.7 | - | 1 | ChEMBL | 403 | 6 | 1 | 10 | 3.3 | CN(CCO)c1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+](=O)[O-] | nan | |||
| 780302 | 31891 | None | 4 | Human | Functional | pIC50 | = | 5.7 | 5.7 | - | 1 | ChEMBL | 340 | 3 | 2 | 4 | 3.9 | NNc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1 | nan | |||
| CHEMBL1407100 | 31891 | None | 4 | Human | Functional | pIC50 | = | 5.7 | 5.7 | - | 1 | ChEMBL | 340 | 3 | 2 | 4 | 3.9 | NNc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1 | nan | |||
| 14971681 | 111583 | None | 0 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 574 | 10 | 1 | 7 | 6.8 | CCCCc1nn(-c2ccccc2C(F)(F)F)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL327862 | 111583 | None | 0 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 574 | 10 | 1 | 7 | 6.8 | CCCCc1nn(-c2ccccc2C(F)(F)F)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 14956771 | 208811 | None | 0 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 482 | 8 | 1 | 9 | 3.8 | CCCc1nn(-c2ccccc2[N+](=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87392 | 208811 | None | 0 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 482 | 8 | 1 | 9 | 3.8 | CCCc1nn(-c2ccccc2[N+](=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956750 | 208543 | None | 0 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 469 | 8 | 1 | 7 | 4.4 | CCCCc1nn(-c2ccc(F)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL85596 | 208543 | None | 0 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 469 | 8 | 1 | 7 | 4.4 | CCCCc1nn(-c2ccc(F)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 2412928 | 21724 | None | 4 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 500 | 7 | 1 | 11 | 1.5 | Cn1c(N)c(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(=O)n(C)c1=O | nan | |||
| CHEMBL1318653 | 21724 | None | 4 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 500 | 7 | 1 | 11 | 1.5 | Cn1c(N)c(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(=O)n(C)c1=O | nan | |||
| 6418891 | 22824 | None | 10 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -1 | 2 | ChEMBL | 401 | 3 | 0 | 4 | 5.7 | FC(F)(F)c1cccc(Sc2nc(-c3ccccc3)nnc2C(F)(F)F)c1 | nan | |||
| CHEMBL1328168 | 22824 | None | 10 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -1 | 2 | ChEMBL | 401 | 3 | 0 | 4 | 5.7 | FC(F)(F)c1cccc(Sc2nc(-c3ccccc3)nnc2C(F)(F)F)c1 | nan | |||
| 2815589 | 41687 | None | 2 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 272 | 5 | 2 | 3 | 2.2 | NC(=O)c1ccccc1NCC(=O)c1ccc(F)cc1 | nan | |||
| CHEMBL1492089 | 41687 | None | 2 | Human | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 272 | 5 | 2 | 3 | 2.2 | NC(=O)c1ccccc1NCC(=O)c1ccc(F)cc1 | nan | |||
| 16436605 | 38471 | None | 8 | Human | Functional | pIC50 | = | 5.7 | 5.7 | - | 1 | ChEMBL | 486 | 6 | 1 | 7 | 2.6 | CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)n1 | nan | |||
| CHEMBL1464024 | 38471 | None | 8 | Human | Functional | pIC50 | = | 5.7 | 5.7 | - | 1 | ChEMBL | 486 | 6 | 1 | 7 | 2.6 | CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)n1 | nan | |||
| 11159916 | 123918 | None | 3 | Rabbit | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 197 | 4 | 1 | 4 | 1.1 | O=C(O)c1cccc(CO[N+](=O)[O-])c1 | 10.1021/jm049681p | |||
| CHEMBL362550 | 123918 | None | 3 | Rabbit | Functional | pIC50 | = | 4.7 | 4.7 | - | 1 | ChEMBL | 197 | 4 | 1 | 4 | 1.1 | O=C(O)c1cccc(CO[N+](=O)[O-])c1 | 10.1021/jm049681p | |||
| 442142 | 185576 | None | 17 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -4 | 2 | ChEMBL | 304 | 1 | 0 | 5 | 1.8 | C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H]12 | nan | |||
| CHEMBL486196 | 185576 | None | 17 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -4 | 2 | ChEMBL | 304 | 1 | 0 | 5 | 1.8 | C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H]12 | nan | |||
| 53317942 | 57615 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 444 | 7 | 1 | 7 | 3.3 | CCCCN1CC2(CN1Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)C(=O)CCC2=O | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL1667999 | 57615 | None | 0 | Human | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 444 | 7 | 1 | 7 | 3.3 | CCCCN1CC2(CN1Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)C(=O)CCC2=O | 10.1016/j.bmc.2010.10.043 | |||
| 14971695 | 14877 | None | 0 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 506 | 10 | 1 | 7 | 5.5 | CCCc1nn(Cc2ccccc2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL120762 | 14877 | None | 0 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 506 | 10 | 1 | 7 | 5.5 | CCCc1nn(Cc2ccccc2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 44292181 | 101218 | None | 0 | Bovine | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 575 | 8 | 1 | 8 | 6.0 | CCCCc1nc2ccc([C@@]3(C)C[C@H]4CCCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL295529 | 101218 | None | 0 | Bovine | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 575 | 8 | 1 | 8 | 6.0 | CCCCc1nc2ccc([C@@]3(C)C[C@H]4CCCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 9982177 | 26507 | None | 0 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 470 | 9 | 1 | 5 | 5.9 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(CC(C)C)C(C(=O)O)c2ccccc2)cc1 | 10.1021/jm00078a014 | |||
| CHEMBL136028 | 26507 | None | 0 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | 470 | 9 | 1 | 5 | 5.9 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(CC(C)C)C(C(=O)O)c2ccccc2)cc1 | 10.1021/jm00078a014 | |||
| 10275744 | 208576 | None | 0 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | 2 | 2 | ChEMBL | 451 | 8 | 1 | 7 | 4.3 | CCCCc1nn(-c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL85876 | 208576 | None | 0 | Rabbit | Functional | pIC50 | = | 7.7 | 7.7 | 2 | 2 | ChEMBL | 451 | 8 | 1 | 7 | 4.3 | CCCCc1nn(-c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 2939837 | 37283 | None | 4 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -4 | 2 | ChEMBL | 363 | 2 | 3 | 4 | 3.9 | CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2cccnc2)c1 | nan | |||
| CHEMBL1453857 | 37283 | None | 4 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -4 | 2 | ChEMBL | 363 | 2 | 3 | 4 | 3.9 | CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2cccnc2)c1 | nan | |||
| 800048 | 24493 | None | 22 | Human | Functional | pIC50 | = | 5.7 | 5.7 | 1 | 2 | ChEMBL | 252 | 2 | 0 | 4 | 2.6 | CCn1c(=O)c([N+](=O)[O-])c(Cl)c2ccccc21 | nan | |||
| CHEMBL1342053 | 24493 | None | 22 | Human | Functional | pIC50 | = | 5.7 | 5.7 | 1 | 2 | ChEMBL | 252 | 2 | 0 | 4 | 2.6 | CCn1c(=O)c([N+](=O)[O-])c(Cl)c2ccccc21 | nan | |||
| 972880 | 194472 | None | 5 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -6 | 3 | ChEMBL | 268 | 3 | 1 | 5 | 3.7 | Cc1cccnc1Nc1nc(-c2ccccn2)cs1 | nan | |||
| CHEMBL528694 | 194472 | None | 5 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -6 | 3 | ChEMBL | 268 | 3 | 1 | 5 | 3.7 | Cc1cccnc1Nc1nc(-c2ccccn2)cs1 | nan | |||
| 9660957 | 72781 | None | 8 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -1 | 5 | ChEMBL | 330 | 4 | 0 | 5 | 2.3 | CCn1c(Cl)c(C=O)s/c1=N\S(=O)(=O)c1ccccc1 | nan | |||
| CHEMBL1999049 | 72781 | None | 8 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -1 | 5 | ChEMBL | 330 | 4 | 0 | 5 | 2.3 | CCn1c(Cl)c(C=O)s/c1=N\S(=O)(=O)c1ccccc1 | nan | |||
| 1472225 | 24752 | None | 9 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -5 | 7 | ChEMBL | 398 | 6 | 1 | 4 | 3.9 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccc(C)cc2)cn1 | nan | |||
| CHEMBL1344225 | 24752 | None | 9 | Human | Functional | pIC50 | = | 5.7 | 5.7 | -5 | 7 | ChEMBL | 398 | 6 | 1 | 4 | 3.9 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccc(C)cc2)cn1 | nan | |||
| 3734285 | 46628 | None | 14 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -2 | 2 | ChEMBL | 399 | 7 | 1 | 4 | 4.8 | CN(C)CCCNC(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1 | nan | |||
| CHEMBL1538399 | 46628 | None | 14 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -2 | 2 | ChEMBL | 399 | 7 | 1 | 4 | 4.8 | CN(C)CCCNC(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1 | nan | |||
| 5335941 | 107965 | None | 5 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -1 | 2 | ChEMBL | 279 | 2 | 2 | 2 | 3.4 | CC1CC2=C(CC1/C=N/NC(N)=S)C(C)(C)CCC2 | nan | |||
| CHEMBL3193181 | 107965 | None | 5 | Human | Functional | pIC50 | = | 4.7 | 4.7 | -1 | 2 | ChEMBL | 279 | 2 | 2 | 2 | 3.4 | CC1CC2=C(CC1/C=N/NC(N)=S)C(C)(C)CCC2 | nan | |||
| 9590741 | 107904 | None | 3 | Human | Functional | pIC50 | = | 5.6 | 5.6 | -2 | 2 | ChEMBL | 273 | 3 | 1 | 3 | 2.9 | C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccccn1 | nan | |||
| CHEMBL3192432 | 107904 | None | 3 | Human | Functional | pIC50 | = | 5.6 | 5.6 | -2 | 2 | ChEMBL | 273 | 3 | 1 | 3 | 2.9 | C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccccn1 | nan | |||
| 2539399 | 39902 | None | 4 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 392 | 4 | 2 | 5 | 2.4 | Cc1cc(C)nc(NNS(=O)(=O)c2c(F)cc(F)cc2Br)n1 | nan | |||
| CHEMBL1477553 | 39902 | None | 4 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 392 | 4 | 2 | 5 | 2.4 | Cc1cc(C)nc(NNS(=O)(=O)c2c(F)cc(F)cc2Br)n1 | nan | |||
| 11159916 | 123918 | None | 3 | Rabbit | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 197 | 4 | 1 | 4 | 1.1 | O=C(O)c1cccc(CO[N+](=O)[O-])c1 | 10.1021/jm049681p | |||
| CHEMBL362550 | 123918 | None | 3 | Rabbit | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 197 | 4 | 1 | 4 | 1.1 | O=C(O)c1cccc(CO[N+](=O)[O-])c1 | 10.1021/jm049681p | |||
| 2283939 | 44428 | None | 7 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 404 | 8 | 1 | 6 | 3.7 | Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] | nan | |||
| CHEMBL1518619 | 44428 | None | 7 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 404 | 8 | 1 | 6 | 3.7 | Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] | nan | |||
| 14971685 | 156610 | None | 0 | Rabbit | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 582 | 11 | 1 | 7 | 7.5 | CCCCc1nn(-c2ccccc2-c2ccccc2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL406791 | 156610 | None | 0 | Rabbit | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 582 | 11 | 1 | 7 | 7.5 | CCCCc1nn(-c2ccccc2-c2ccccc2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 10113613 | 106815 | None | 0 | Rabbit | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 431 | 7 | 1 | 7 | 4.0 | CCCCc1nn(C(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL314436 | 106815 | None | 0 | Rabbit | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 431 | 7 | 1 | 7 | 4.0 | CCCCc1nn(C(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956797 | 208877 | None | 0 | Rabbit | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 523 | 10 | 1 | 9 | 4.1 | CCCCc1nn(Cc2ccc(C(=O)OC)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87885 | 208877 | None | 0 | Rabbit | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 523 | 10 | 1 | 9 | 4.1 | CCCCc1nn(Cc2ccc(C(=O)OC)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 10048776 | 115286 | None | 0 | Rabbit | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 438 | 6 | 1 | 5 | 5.4 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2Cc2ccccc2C(=O)O)c1 | 10.1021/jm00078a013 | |||
| CHEMBL334622 | 115286 | None | 0 | Rabbit | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 438 | 6 | 1 | 5 | 5.4 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2Cc2ccccc2C(=O)O)c1 | 10.1021/jm00078a013 | |||
| 1096078 | 49634 | None | 1 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 364 | 4 | 1 | 4 | 4.2 | COc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c2ncccc12 | nan | |||
| CHEMBL1566084 | 49634 | None | 1 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 364 | 4 | 1 | 4 | 4.2 | COc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c2ncccc12 | nan | |||
| 2645512 | 32468 | None | 3 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 455 | 6 | 0 | 6 | 3.3 | O=C(COC(=O)c1ccc(Br)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | nan | |||
| CHEMBL1411597 | 32468 | None | 3 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 455 | 6 | 0 | 6 | 3.3 | O=C(COC(=O)c1ccc(Br)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | nan | |||
| 2171031 | 39184 | None | 7 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 356 | 8 | 1 | 6 | 1.7 | O=C(Cc1ccccc1)NCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 | nan | |||
| CHEMBL1469682 | 39184 | None | 7 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 356 | 8 | 1 | 6 | 1.7 | O=C(Cc1ccccc1)NCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 | nan | |||
| 889369 | 54502 | None | 4 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 315 | 3 | 3 | 4 | 3.0 | CC(C)c1ccc(O)c(NC(=S)NC(=O)c2cccnc2)c1 | nan | |||
| CHEMBL1609718 | 54502 | None | 4 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 315 | 3 | 3 | 4 | 3.0 | CC(C)c1ccc(O)c(NC(=S)NC(=O)c2cccnc2)c1 | nan | |||
| 2905495 | 20027 | None | 10 | Human | Functional | pIC50 | = | 5.6 | 5.6 | 1 | 4 | ChEMBL | 400 | 4 | 1 | 9 | 3.3 | Cc1c(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C | nan | |||
| CHEMBL1303426 | 20027 | None | 10 | Human | Functional | pIC50 | = | 5.6 | 5.6 | 1 | 4 | ChEMBL | 400 | 4 | 1 | 9 | 3.3 | Cc1c(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C | nan | |||
| 3239204 | 54033 | None | 8 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 319 | 4 | 1 | 7 | 4.0 | COc1cccc2sc(Nc3nc(C)c(C(C)=O)s3)nc12 | nan | |||
| CHEMBL1605977 | 54033 | None | 8 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 319 | 4 | 1 | 7 | 4.0 | COc1cccc2sc(Nc3nc(C)c(C(C)=O)s3)nc12 | nan | |||
| 2848041 | 22089 | None | 3 | Human | Functional | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 298 | 3 | 1 | 3 | 3.3 | Cc1ccc2cccc(NS(=O)(=O)c3ccccc3)c2n1 | nan | |||
| CHEMBL1321754 | 22089 | None | 3 | Human | Functional | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 298 | 3 | 1 | 3 | 3.3 | Cc1ccc2cccc(NS(=O)(=O)c3ccccc3)c2n1 | nan | |||
| 1472220 | 41909 | None | 10 | Human | Functional | pIC50 | = | 5.6 | 5.6 | 3 | 3 | ChEMBL | 418 | 6 | 1 | 4 | 4.3 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccc(Cl)cc2)cn1 | nan | |||
| CHEMBL1494120 | 41909 | None | 10 | Human | Functional | pIC50 | = | 5.6 | 5.6 | 3 | 3 | ChEMBL | 418 | 6 | 1 | 4 | 4.3 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccc(Cl)cc2)cn1 | nan | |||
| 135636104 | 44089 | None | 7 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 217 | 3 | 1 | 5 | 2.7 | O=[N+]([O-])c1ccc(N=Nc2ncc[nH]2)cc1 | nan | |||
| CHEMBL1514691 | 44089 | None | 7 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 217 | 3 | 1 | 5 | 2.7 | O=[N+]([O-])c1ccc(N=Nc2ncc[nH]2)cc1 | nan | |||
| 936147 | 52686 | None | 5 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 306 | 6 | 0 | 4 | 4.3 | CCCN(CCC)c1nc(-c2ccccn2)nc2ccccc12 | nan | |||
| CHEMBL1593888 | 52686 | None | 5 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 306 | 6 | 0 | 4 | 4.3 | CCCN(CCC)c1nc(-c2ccccn2)nc2ccccc12 | nan | |||
| 8480343 | 43925 | None | 3 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 330 | 4 | 2 | 5 | 2.2 | Cc1cc(C)nc(NNS(=O)(=O)c2ccc(F)c(Cl)c2)n1 | nan | |||
| CHEMBL1512236 | 43925 | None | 3 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 330 | 4 | 2 | 5 | 2.2 | Cc1cc(C)nc(NNS(=O)(=O)c2ccc(F)c(Cl)c2)n1 | nan | |||
| 2632794 | 22769 | None | 2 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 312 | 5 | 0 | 4 | 3.5 | O=C(Cc1ccc(F)cc1)OCC(=O)c1cc2ccccc2o1 | nan | |||
| CHEMBL1327815 | 22769 | None | 2 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 312 | 5 | 0 | 4 | 3.5 | O=C(Cc1ccc(F)cc1)OCC(=O)c1cc2ccccc2o1 | nan | |||
| 14956786 | 107021 | None | 0 | Rabbit | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 433 | 9 | 2 | 8 | 2.8 | CCCCc1nn(C(C)CO)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL315012 | 107021 | None | 0 | Rabbit | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 433 | 9 | 2 | 8 | 2.8 | CCCCc1nn(C(C)CO)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 1610 | 2347 | None | 64 | Human | Functional | pIC50 | = | 7.6 | 7.6 | -10 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.6019/CHEMBL5442687 | |||
| 3941 | 2347 | None | 64 | Human | Functional | pIC50 | = | 7.6 | 7.6 | -10 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.6019/CHEMBL5442687 | |||
| 3961 | 2347 | None | 64 | Human | Functional | pIC50 | = | 7.6 | 7.6 | -10 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.6019/CHEMBL5442687 | |||
| 3961.0 | 2347 | None | 64 | Human | Functional | pIC50 | = | 7.6 | 7.6 | -10 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.6019/CHEMBL5442687 | |||
| 590 | 2347 | None | 64 | Human | Functional | pIC50 | = | 7.6 | 7.6 | -10 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.6019/CHEMBL5442687 | |||
| CHEMBL191 | 2347 | None | 64 | Human | Functional | pIC50 | = | 7.6 | 7.6 | -10 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.6019/CHEMBL5442687 | |||
| DB00678 | 2347 | None | 64 | Human | Functional | pIC50 | = | 7.6 | 7.6 | -10 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.6019/CHEMBL5442687 | |||
| 10250898 | 118552 | None | 0 | Rabbit | Functional | pIC50 | = | 6.6 | 6.6 | 37 | 2 | ChEMBL | 408 | 4 | 0 | 5 | 5.3 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2C(=O)c2ccccc2)c1 | 10.1021/jm00078a013 | |||
| CHEMBL341407 | 118552 | None | 0 | Rabbit | Functional | pIC50 | = | 6.6 | 6.6 | 37 | 2 | ChEMBL | 408 | 4 | 0 | 5 | 5.3 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2C(=O)c2ccccc2)c1 | 10.1021/jm00078a013 | |||
| 6908540 | 107804 | None | 16 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 305 | 5 | 1 | 5 | 1.9 | O=[N+]([O-])c1cccc(/C=N/NS(=O)(=O)c2ccccc2)c1 | nan | |||
| CHEMBL3191392 | 107804 | None | 16 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 305 | 5 | 1 | 5 | 1.9 | O=[N+]([O-])c1cccc(/C=N/NS(=O)(=O)c2ccccc2)c1 | nan | |||
| 2739277 | 29699 | None | 2 | Human | Functional | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 364 | 4 | 2 | 5 | 4.3 | O=C(NNc1ccc(-c2csnn2)cc1)c1cc(Cl)cc(Cl)c1 | nan | |||
| CHEMBL1386393 | 29699 | None | 2 | Human | Functional | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 364 | 4 | 2 | 5 | 4.3 | O=C(NNc1ccc(-c2csnn2)cc1)c1cc(Cl)cc(Cl)c1 | nan | |||
| 135478724 | 35140 | None | 25 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 240 | 1 | 1 | 2 | 2.9 | O=C1Nc2ccccc2C1=Nc1ccc(F)cc1 | nan | |||
| CHEMBL1434292 | 35140 | None | 25 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 240 | 1 | 1 | 2 | 2.9 | O=C1Nc2ccccc2C1=Nc1ccc(F)cc1 | nan | |||
| 3118020 | 47500 | None | 9 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 400 | 6 | 0 | 7 | 1.7 | CC(C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)C2C3CCC(C3)C2C1=O | nan | |||
| CHEMBL1545561 | 47500 | None | 9 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 400 | 6 | 0 | 7 | 1.7 | CC(C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)C2C3CCC(C3)C2C1=O | nan | |||
| 164613537 | 185232 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | 21 | 2 | ChEMBL | 464 | 8 | 1 | 5 | 5.4 | CCCCC1=NC(C)(c2ccccc2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.1c00240 | |||
| CHEMBL4856425 | 185232 | None | 0 | Human | Functional | pIC50 | = | 7.6 | 7.6 | 21 | 2 | ChEMBL | 464 | 8 | 1 | 5 | 5.4 | CCCCC1=NC(C)(c2ccccc2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.1c00240 | |||
| 10025873 | 115598 | None | 0 | Rabbit | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 433 | 4 | 0 | 6 | 5.2 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2C(=O)c2ccccc2C#N)c1 | 10.1021/jm00078a013 | |||
| CHEMBL335323 | 115598 | None | 0 | Rabbit | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 433 | 4 | 0 | 6 | 5.2 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2C(=O)c2ccccc2C#N)c1 | 10.1021/jm00078a013 | |||
| 14956765 | 208880 | None | 0 | Rabbit | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 469 | 6 | 1 | 7 | 4.5 | O=c1n(-c2ccccc2Cl)nc(C2CC2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87890 | 208880 | None | 0 | Rabbit | Functional | pIC50 | = | 6.6 | 6.6 | - | 1 | ChEMBL | 469 | 6 | 1 | 7 | 4.5 | O=c1n(-c2ccccc2Cl)nc(C2CC2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 773605 | 45192 | None | 20 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 253 | 2 | 2 | 3 | 3.3 | Fc1ccc(NC(S)=Nc2nccs2)cc1 | nan | |||
| CHEMBL1525546 | 45192 | None | 20 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 253 | 2 | 2 | 3 | 3.3 | Fc1ccc(NC(S)=Nc2nccs2)cc1 | nan | |||
| 3754656 | 47946 | None | 5 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 362 | 8 | 1 | 6 | 2.6 | O=C(CCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)NC1CCCCC1 | nan | |||
| CHEMBL1549587 | 47946 | None | 5 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 362 | 8 | 1 | 6 | 2.6 | O=C(CCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)NC1CCCCC1 | nan | |||
| 933895 | 22726 | None | 24 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 166 | 2 | 2 | 5 | 1.0 | CC(C)c1nc(C#N)c(NN)o1 | nan | |||
| CHEMBL1327546 | 22726 | None | 24 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 166 | 2 | 2 | 5 | 1.0 | CC(C)c1nc(C#N)c(NN)o1 | nan | |||
| 42600949 | 54402 | None | 0 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 385 | 4 | 1 | 5 | 3.9 | CCC1Nc2ncnc(N3CCCCC3)c2N(Cc2ccc(Cl)cc2)C1=O | nan | |||
| CHEMBL1608922 | 54402 | None | 0 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 385 | 4 | 1 | 5 | 3.9 | CCC1Nc2ncnc(N3CCCCC3)c2N(Cc2ccc(Cl)cc2)C1=O | nan | |||
| CHEMBL2131333 | 54402 | None | 0 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 385 | 4 | 1 | 5 | 3.9 | CCC1Nc2ncnc(N3CCCCC3)c2N(Cc2ccc(Cl)cc2)C1=O | nan | |||
| 2811327 | 34333 | None | 2 | Human | Functional | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 288 | 4 | 2 | 2 | 4.0 | CCc1ccc(C(=O)NNc2ccc(C)c(Cl)c2)cc1 | nan | |||
| CHEMBL1427235 | 34333 | None | 2 | Human | Functional | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 288 | 4 | 2 | 2 | 4.0 | CCc1ccc(C(=O)NNc2ccc(C)c(Cl)c2)cc1 | nan | |||
| 2896074 | 45674 | None | 7 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 491 | 3 | 2 | 7 | 5.2 | O=C1Nc2ccc(F)cc2C12Nc1ccccc1-c1nnc(SCc3ccccc3Cl)nc1O2 | nan | |||
| CHEMBL1529705 | 45674 | None | 7 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 491 | 3 | 2 | 7 | 5.2 | O=C1Nc2ccc(F)cc2C12Nc1ccccc1-c1nnc(SCc3ccccc3Cl)nc1O2 | nan | |||
| 2813088 | 48560 | None | 2 | Human | Functional | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 290 | 3 | 2 | 5 | 2.9 | Cc1nnsc1C(=O)NNc1ccc(C(C)(C)C)cc1 | nan | |||
| CHEMBL1556712 | 48560 | None | 2 | Human | Functional | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 290 | 3 | 2 | 5 | 2.9 | Cc1nnsc1C(=O)NNc1ccc(C(C)(C)C)cc1 | nan | |||
| 6887818 | 108193 | None | 3 | Human | Functional | pIC50 | = | 5.6 | 5.6 | 1 | 2 | ChEMBL | 430 | 4 | 1 | 4 | 4.8 | O=C(N/N=C/c1ccccn1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 | nan | |||
| CHEMBL3195898 | 108193 | None | 3 | Human | Functional | pIC50 | = | 5.6 | 5.6 | 1 | 2 | ChEMBL | 430 | 4 | 1 | 4 | 4.8 | O=C(N/N=C/c1ccccn1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 | nan | |||
| 2883150 | 50963 | None | 11 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 413 | 9 | 2 | 7 | 2.7 | CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 | nan | |||
| CHEMBL1577988 | 50963 | None | 11 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 413 | 9 | 2 | 7 | 2.7 | CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 | nan | |||
| 14956788 | 107086 | None | 0 | Rabbit | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 447 | 9 | 2 | 8 | 2.9 | CCCCc1nn(C(C)C(=O)O)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL315469 | 107086 | None | 0 | Rabbit | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 447 | 9 | 2 | 8 | 2.9 | CCCCc1nn(C(C)C(=O)O)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 2321121 | 55470 | None | 0 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 557 | 7 | 1 | 5 | 6.3 | O=C(C[n+]1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3n2)cc1)c1cccc([N+](=O)[O-])c1 | nan | |||
| CHEMBL1412385 | 55470 | None | 0 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 557 | 7 | 1 | 5 | 6.3 | O=C(C[n+]1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3n2)cc1)c1cccc([N+](=O)[O-])c1 | nan | |||
| CHEMBL1619819 | 55470 | None | 0 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 557 | 7 | 1 | 5 | 6.3 | O=C(C[n+]1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3n2)cc1)c1cccc([N+](=O)[O-])c1 | nan | |||
| 2378336 | 36133 | None | 1 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 271 | 6 | 2 | 4 | 2.5 | COc1ccc(C(=O)CNc2ccccc2CO)cc1 | nan | |||
| CHEMBL1444275 | 36133 | None | 1 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 271 | 6 | 2 | 4 | 2.5 | COc1ccc(C(=O)CNc2ccccc2CO)cc1 | nan | |||
| 3118009 | 44659 | None | 8 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 386 | 6 | 0 | 7 | 1.4 | O=C(CN1C(=O)C2C3CCC(C3)C2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 | nan | |||
| CHEMBL1520643 | 44659 | None | 8 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 386 | 6 | 0 | 7 | 1.4 | O=C(CN1C(=O)C2C3CCC(C3)C2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 | nan | |||
| 135492609 | 108312 | None | 2 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 521 | 2 | 1 | 7 | 3.6 | CN1/C(=c2/s/c(=C3/C(=O)N(c4ccccc4)N=C3Nc3ccccc3)n(C)c2=O)C(C)(C)c2ccccc21 | nan | |||
| CHEMBL3197135 | 108312 | None | 2 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 521 | 2 | 1 | 7 | 3.6 | CN1/C(=c2/s/c(=C3/C(=O)N(c4ccccc4)N=C3Nc3ccccc3)n(C)c2=O)C(C)(C)c2ccccc21 | nan | |||
| 183134 | 207302 | None | 16 | Bovine | Functional | pIC50 | = | 7.6 | 7.6 | -134 | 7 | ChEMBL | 409 | 5 | 1 | 6 | 4.5 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80366-2 | |||
| CHEMBL7550 | 207302 | None | 16 | Bovine | Functional | pIC50 | = | 7.6 | 7.6 | -134 | 7 | ChEMBL | 409 | 5 | 1 | 6 | 4.5 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80366-2 | |||
| 11527144 | 179211 | None | 0 | Bovine | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 561 | 8 | 1 | 8 | 5.6 | CCCCc1nc2ccc([C@]3(C)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL297425 | 179211 | None | 0 | Bovine | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 561 | 8 | 1 | 8 | 5.6 | CCCCc1nc2ccc([C@]3(C)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL47177 | 179211 | None | 0 | Bovine | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 561 | 8 | 1 | 8 | 5.6 | CCCCc1nc2ccc([C@]3(C)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 14956749 | 208676 | None | 0 | Rabbit | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 479 | 9 | 1 | 7 | 4.8 | CCCCc1nn(-c2ccc(CC)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL86613 | 208676 | None | 0 | Rabbit | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 479 | 9 | 1 | 7 | 4.8 | CCCCc1nn(-c2ccc(CC)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956803 | 208743 | None | 0 | Rabbit | Functional | pIC50 | = | 7.6 | 7.6 | 10 | 2 | ChEMBL | 515 | 9 | 1 | 7 | 5.5 | CCCCc1nn(Cc2ccc3ccccc3c2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL86986 | 208743 | None | 0 | Rabbit | Functional | pIC50 | = | 7.6 | 7.6 | 10 | 2 | ChEMBL | 515 | 9 | 1 | 7 | 5.5 | CCCCc1nn(Cc2ccc3ccccc3c2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956767 | 208845 | None | 0 | Rabbit | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 483 | 7 | 1 | 7 | 4.5 | O=c1n(-c2ccccc2Cl)nc(CC2CC2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87650 | 208845 | None | 0 | Rabbit | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 483 | 7 | 1 | 7 | 4.5 | O=c1n(-c2ccccc2Cl)nc(CC2CC2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 54500223 | 70896 | None | 0 | Rabbit | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 444 | 8 | 2 | 7 | 3.0 | CCCc1nc(C)c(CC(=O)O)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951124 | 70896 | None | 0 | Rabbit | Functional | pIC50 | = | 7.6 | 7.6 | - | 1 | ChEMBL | 444 | 8 | 2 | 7 | 3.0 | CCCc1nc(C)c(CC(=O)O)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 324450 | 40928 | None | 21 | Human | Functional | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 219 | 3 | 2 | 3 | 1.4 | O=C(CCl)NNc1cccc(Cl)n1 | nan | |||
| CHEMBL1486528 | 40928 | None | 21 | Human | Functional | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 219 | 3 | 2 | 3 | 1.4 | O=C(CCl)NNc1cccc(Cl)n1 | nan | |||
| 3103390 | 44853 | None | 7 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 410 | 7 | 1 | 7 | 2.1 | O=C(CNC(=O)c1ccc(Br)o1)OCC(=O)c1cccc([N+](=O)[O-])c1 | nan | |||
| CHEMBL1522230 | 44853 | None | 7 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 410 | 7 | 1 | 7 | 2.1 | O=C(CNC(=O)c1ccc(Br)o1)OCC(=O)c1cccc([N+](=O)[O-])c1 | nan | |||
| 1231596 | 35859 | None | 10 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 406 | 4 | 1 | 7 | 4.2 | COc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O | nan | |||
| CHEMBL1441794 | 35859 | None | 10 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 406 | 4 | 1 | 7 | 4.2 | COc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O | nan | |||
| 9653430 | 71771 | None | 2 | Human | Functional | pIC50 | = | 4.6 | 4.6 | -3 | 2 | ChEMBL | 331 | 3 | 2 | 3 | 4.2 | COc1cccc(NC(=S)N/N=C2\CC3CCC2(C)C3(C)C)c1 | nan | |||
| CHEMBL1966283 | 71771 | None | 2 | Human | Functional | pIC50 | = | 4.6 | 4.6 | -3 | 2 | ChEMBL | 331 | 3 | 2 | 3 | 4.2 | COc1cccc(NC(=S)N/N=C2\CC3CCC2(C)C3(C)C)c1 | nan | |||
| 161167 | 95544 | None | 32 | Human | Functional | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 284 | 3 | 1 | 3 | 3.0 | O=S(=O)(Nc1cccc2cccnc12)c1ccccc1 | nan | |||
| CHEMBL257286 | 95544 | None | 32 | Human | Functional | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 284 | 3 | 1 | 3 | 3.0 | O=S(=O)(Nc1cccc2cccnc12)c1ccccc1 | nan | |||
| 3235730 | 52156 | None | 8 | Human | Functional | pIC50 | = | 4.6 | 4.6 | -2 | 3 | ChEMBL | 432 | 8 | 1 | 9 | 3.4 | CCSC1(SCC)N=C(N)C2(C#N)C(c3ccc(OC)c(OC)c3OC)C12C#N | nan | |||
| CHEMBL1587831 | 52156 | None | 8 | Human | Functional | pIC50 | = | 4.6 | 4.6 | -2 | 3 | ChEMBL | 432 | 8 | 1 | 9 | 3.4 | CCSC1(SCC)N=C(N)C2(C#N)C(c3ccc(OC)c(OC)c3OC)C12C#N | nan | |||
| 793994 | 107758 | None | 4 | Human | Functional | pIC50 | = | 5.6 | 5.6 | -1 | 2 | ChEMBL | 304 | 2 | 1 | 4 | 4.9 | Oc1c(/C=N/c2cccc3cccnc23)sc2ccccc12 | nan | |||
| CHEMBL3190827 | 107758 | None | 4 | Human | Functional | pIC50 | = | 5.6 | 5.6 | -1 | 2 | ChEMBL | 304 | 2 | 1 | 4 | 4.9 | Oc1c(/C=N/c2cccc3cccnc23)sc2ccccc12 | nan | |||
| 135444079 | 39154 | None | 9 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 270 | 1 | 1 | 2 | 3.7 | Cc1cccc2c1NC(=O)C2=Nc1ccc(Cl)cc1 | nan | |||
| CHEMBL1469448 | 39154 | None | 9 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 270 | 1 | 1 | 2 | 3.7 | Cc1cccc2c1NC(=O)C2=Nc1ccc(Cl)cc1 | nan | |||
| 2412176 | 54921 | None | 4 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 259 | 5 | 1 | 3 | 3.1 | COc1ccc(C(=O)CNc2cccc(F)c2)cc1 | nan | |||
| CHEMBL1613520 | 54921 | None | 4 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 259 | 5 | 1 | 3 | 3.1 | COc1ccc(C(=O)CNc2cccc(F)c2)cc1 | nan | |||
| 10411101 | 165760 | None | 0 | Rabbit | Functional | pIC50 | = | 7.6 | 7.6 | 676 | 2 | ChEMBL | 442 | 7 | 2 | 5 | 5.5 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(NC(C(=O)O)c2ccccc2C)c(C)c1 | 10.1021/jm00078a014 | |||
| CHEMBL424465 | 165760 | None | 0 | Rabbit | Functional | pIC50 | = | 7.6 | 7.6 | 676 | 2 | ChEMBL | 442 | 7 | 2 | 5 | 5.5 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(NC(C(=O)O)c2ccccc2C)c(C)c1 | 10.1021/jm00078a014 | |||
| 10371403 | 66943 | None | 18 | Rabbit | Functional | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 601 | 13 | 1 | 10 | 5.8 | CCCCc1nc(Cl)c(COC(=O)c2cccc(CO[N+](=O)[O-])c2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm049681p | |||
| CHEMBL186572 | 66943 | None | 18 | Rabbit | Functional | pIC50 | = | 5.6 | 5.6 | - | 1 | ChEMBL | 601 | 13 | 1 | 10 | 5.8 | CCCCc1nc(Cl)c(COC(=O)c2cccc(CO[N+](=O)[O-])c2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm049681p | |||
| 3119388 | 47350 | None | 9 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 556 | 7 | 0 | 7 | 2.5 | O=C(CCN1C(=O)C2C3CC(C(Br)C3Br)C2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 | nan | |||
| CHEMBL1544373 | 47350 | None | 9 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 556 | 7 | 0 | 7 | 2.5 | O=C(CCN1C(=O)C2C3CC(C(Br)C3Br)C2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 | nan | |||
| 4691872 | 47272 | None | 1 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 372 | 5 | 1 | 6 | 2.8 | COC(=O)C1NN=C(C(=O)c2ccc(Cl)cc2)C1c1ccc(OC)cc1 | nan | |||
| CHEMBL1543866 | 47272 | None | 1 | Human | Functional | pIC50 | = | 4.6 | 4.6 | - | 1 | ChEMBL | 372 | 5 | 1 | 6 | 2.8 | COC(=O)C1NN=C(C(=O)c2ccc(Cl)cc2)C1c1ccc(OC)cc1 | nan | |||
| 135557876 | 108311 | None | 2 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 326 | 4 | 3 | 6 | 2.4 | Cc1ncc(CO)c(/C=N/Nc2ccc(C(F)(F)F)cn2)c1O | nan | |||
| CHEMBL3197126 | 108311 | None | 2 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 326 | 4 | 3 | 6 | 2.4 | Cc1ncc(CO)c(/C=N/Nc2ccc(C(F)(F)F)cn2)c1O | nan | |||
| 2767330 | 96427 | None | 21 | Human | Functional | pIC50 | = | 5.5 | 5.5 | 1 | 2 | ChEMBL | 272 | 1 | 0 | 3 | 3.7 | Cc1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1 | nan | |||
| CHEMBL261693 | 96427 | None | 21 | Human | Functional | pIC50 | = | 5.5 | 5.5 | 1 | 2 | ChEMBL | 272 | 1 | 0 | 3 | 3.7 | Cc1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1 | nan | |||
| 852940 | 49855 | None | 9 | Human | Functional | pIC50 | = | 5.5 | 5.5 | - | 1 | ChEMBL | 257 | 2 | 1 | 5 | 3.0 | CCc1cc2c(O)nc(-c3ccccn3)nc2s1 | nan | |||
| CHEMBL1567827 | 49855 | None | 9 | Human | Functional | pIC50 | = | 5.5 | 5.5 | - | 1 | ChEMBL | 257 | 2 | 1 | 5 | 3.0 | CCc1cc2c(O)nc(-c3ccccn3)nc2s1 | nan | |||
| 3138587 | 34528 | None | 1 | Human | Functional | pIC50 | = | 4.5 | 4.5 | 1 | 2 | ChEMBL | 391 | 6 | 5 | 10 | -2.3 | CN(C)c1ccc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2c1 | nan | |||
| CHEMBL1428985 | 34528 | None | 1 | Human | Functional | pIC50 | = | 4.5 | 4.5 | 1 | 2 | ChEMBL | 391 | 6 | 5 | 10 | -2.3 | CN(C)c1ccc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2c1 | nan | |||
| 1472222 | 28698 | None | 9 | Human | Functional | pIC50 | = | 5.5 | 5.5 | 1 | 3 | ChEMBL | 414 | 7 | 1 | 5 | 3.6 | COc1ccc(C[S+]([O-])/C(Cl)=C(/Cl)C(=O)Nc2ccc(OC)nc2)cc1 | nan | |||
| CHEMBL1377737 | 28698 | None | 9 | Human | Functional | pIC50 | = | 5.5 | 5.5 | 1 | 3 | ChEMBL | 414 | 7 | 1 | 5 | 3.6 | COc1ccc(C[S+]([O-])/C(Cl)=C(/Cl)C(=O)Nc2ccc(OC)nc2)cc1 | nan | |||
| 135443160 | 31725 | None | 4 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 435 | 2 | 1 | 5 | 4.5 | O=C1Nc2ccc(Br)cc2C1=Nc1ccc(-c2nnc3n2CCCCC3)cc1 | nan | |||
| CHEMBL1405610 | 31725 | None | 4 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 435 | 2 | 1 | 5 | 4.5 | O=C1Nc2ccc(Br)cc2C1=Nc1ccc(-c2nnc3n2CCCCC3)cc1 | nan | |||
| 2920316 | 37685 | None | 6 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 446 | 9 | 1 | 6 | 3.6 | Cc1ccc(C(=O)COC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] | nan | |||
| CHEMBL1457414 | 37685 | None | 6 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 446 | 9 | 1 | 6 | 3.6 | Cc1ccc(C(=O)COC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] | nan | |||
| 4146306 | 25227 | None | 1 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 347 | 2 | 1 | 4 | 3.3 | O=c1c2cc(Br)ccc2[nH]c(=S)n1Cc1ccccn1 | nan | |||
| CHEMBL1348215 | 25227 | None | 1 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 347 | 2 | 1 | 4 | 3.3 | O=c1c2cc(Br)ccc2[nH]c(=S)n1Cc1ccccn1 | nan | |||
| 1610 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/S0960-894X(01)80348-6 | |||
| 3941 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/S0960-894X(01)80348-6 | |||
| 3961 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/S0960-894X(01)80348-6 | |||
| 3961.0 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/S0960-894X(01)80348-6 | |||
| 590 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/S0960-894X(01)80348-6 | |||
| CHEMBL191 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/S0960-894X(01)80348-6 | |||
| DB00678 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/S0960-894X(01)80348-6 | |||
| 20081616 | 92292 | None | 0 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 500 | 6 | 2 | 8 | 5.3 | Cc1cc(O)nnc1-c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1 | 10.1016/S0960-894X(01)80348-6 | |||
| CHEMBL24266 | 92292 | None | 0 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 500 | 6 | 2 | 8 | 5.3 | Cc1cc(O)nnc1-c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1 | 10.1016/S0960-894X(01)80348-6 | |||
| 44459656 | 99680 | None | 0 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 561 | 8 | 1 | 8 | 3.9 | CCc1nc2ccc(C3=NN(CC(=O)N(C)C)C(=O)CC3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(01)80348-6 | |||
| CHEMBL2079789 | 99680 | None | 0 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 561 | 8 | 1 | 8 | 3.9 | CCc1nc2ccc(C3=NN(CC(=O)N(C)C)C(=O)CC3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(01)80348-6 | |||
| CHEMBL284140 | 99680 | None | 0 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 561 | 8 | 1 | 8 | 3.9 | CCc1nc2ccc(C3=NN(CC(=O)N(C)C)C(=O)CC3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(01)80348-6 | |||
| 14956814 | 208258 | None | 0 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 493 | 10 | 1 | 7 | 4.8 | CC(C)CCc1nn(CCc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL83194 | 208258 | None | 0 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 493 | 10 | 1 | 7 | 4.8 | CC(C)CCc1nn(CCc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14971703 | 107144 | None | 0 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 546 | 9 | 2 | 6 | 6.7 | CCCCc1nn(-c2cc(Cl)ccc2Cl)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL315878 | 107144 | None | 0 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 546 | 9 | 2 | 6 | 6.7 | CCCCc1nn(-c2cc(Cl)ccc2Cl)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 14956761 | 106027 | None | 0 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 494 | 9 | 1 | 8 | 4.3 | CCCCc1nn(-c2ccccc2N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL313025 | 106027 | None | 0 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 494 | 9 | 1 | 8 | 4.3 | CCCCc1nn(-c2ccccc2N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956778 | 208751 | None | 0 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 431 | 9 | 1 | 7 | 3.9 | CCCCc1nn(CC(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87057 | 208751 | None | 0 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 431 | 9 | 1 | 7 | 3.9 | CCCCc1nn(CC(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 44320509 | 208796 | None | 0 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | 1 | 2 | ChEMBL | 465 | 6 | 2 | 6 | 5.5 | CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(C(=O)O)c(N)nc3ccccc23)cc1 | 10.1021/jm0603163 | |||
| CHEMBL87327 | 208796 | None | 0 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | 1 | 2 | ChEMBL | 465 | 6 | 2 | 6 | 5.5 | CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(C(=O)O)c(N)nc3ccccc23)cc1 | 10.1021/jm0603163 | |||
| 22942224 | 70909 | None | 0 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 583 | 11 | 1 | 9 | 3.9 | CCCCc1nc(C)c(CCC(=O)N2CCC[C@H]2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951137 | 70909 | None | 0 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 583 | 11 | 1 | 9 | 3.9 | CCCCc1nc(C)c(CCC(=O)N2CCC[C@H]2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 44292471 | 157644 | None | 0 | Bovine | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 563 | 10 | 3 | 8 | 5.0 | CCCCc1nc2ccc(C(C)(O)C[C@H]3CCCN3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80366-2 | |||
| CHEMBL408033 | 157644 | None | 0 | Bovine | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 563 | 10 | 3 | 8 | 5.0 | CCCCc1nc2ccc(C(C)(O)C[C@H]3CCCN3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80366-2 | |||
| 54277224 | 70905 | None | 0 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 540 | 9 | 1 | 8 | 3.1 | CCCCc1nc(C)c(CC(=O)N2CCN(C)CC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951133 | 70905 | None | 0 | Rabbit | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | ChEMBL | 540 | 9 | 1 | 8 | 3.1 | CCCCc1nc(C)c(CC(=O)N2CCN(C)CC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 14971718 | 15539 | None | 0 | Rabbit | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 388 | 7 | 3 | 5 | 3.5 | CCCc1n[nH]c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL121847 | 15539 | None | 0 | Rabbit | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 388 | 7 | 3 | 5 | 3.5 | CCCc1n[nH]c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 14956753 | 107126 | None | 0 | Rabbit | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 527 | 9 | 1 | 7 | 5.9 | CCCCc1nn(-c2ccccc2-c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL315776 | 107126 | None | 0 | Rabbit | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 527 | 9 | 1 | 7 | 5.9 | CCCCc1nn(-c2ccccc2-c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14971721 | 113246 | None | 0 | Rabbit | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 544 | 8 | 2 | 6 | 6.3 | O=C(O)c1c(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(CC2CC2)nn1-c1c(Cl)cccc1Cl | 10.1021/jm00075a014 | |||
| CHEMBL331475 | 113246 | None | 0 | Rabbit | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 544 | 8 | 2 | 6 | 6.3 | O=C(O)c1c(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(CC2CC2)nn1-c1c(Cl)cccc1Cl | 10.1021/jm00075a014 | |||
| 4673492 | 4138 | None | 6 | Guinea pig | Functional | pIC50 | = | 8.4 | 8.4 | -6 | 3 | ChEMBL | 438 | 6 | 1 | 5 | 4.5 | CCc1nc(CC)c2c(c1)N(Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)CC2 | 10.1021/jm9504722 | |||
| 8324 | 4138 | None | 6 | Guinea pig | Functional | pIC50 | = | 8.4 | 8.4 | -6 | 3 | ChEMBL | 438 | 6 | 1 | 5 | 4.5 | CCc1nc(CC)c2c(c1)N(Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)CC2 | 10.1021/jm9504722 | |||
| CHEMBL159096 | 4138 | None | 6 | Guinea pig | Functional | pIC50 | = | 8.4 | 8.4 | -6 | 3 | ChEMBL | 438 | 6 | 1 | 5 | 4.5 | CCc1nc(CC)c2c(c1)N(Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)CC2 | 10.1021/jm9504722 | |||
| 14971689 | 12212 | None | 0 | Rabbit | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 512 | 10 | 1 | 7 | 5.4 | CCCCc1nn(CC(F)(F)F)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL118431 | 12212 | None | 0 | Rabbit | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 512 | 10 | 1 | 7 | 5.4 | CCCCc1nn(CC(F)(F)F)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 44211605 | 170863 | None | 0 | Bovine | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 577 | 10 | 1 | 10 | 5.0 | CCCCc1nc2ccc(C3CC(C(=O)OCC)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL44526 | 170863 | None | 0 | Bovine | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 577 | 10 | 1 | 10 | 5.0 | CCCCc1nc2ccc(C3CC(C(=O)OCC)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 14956809 | 106248 | None | 0 | Rabbit | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 656 | 15 | 1 | 9 | 6.5 | CCCCc1nn(CCCN(Cc2ccccc2)C(=O)OCc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL313837 | 106248 | None | 0 | Rabbit | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 656 | 15 | 1 | 9 | 6.5 | CCCCc1nn(CCCN(Cc2ccccc2)C(=O)OCc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 132562 | 99737 | None | 5 | Guinea pig | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 407 | 6 | 1 | 5 | 5.2 | CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccccc2n1 | 10.1021/jm9504722 | |||
| CHEMBL284536 | 99737 | None | 5 | Guinea pig | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 407 | 6 | 1 | 5 | 5.2 | CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccccc2n1 | 10.1021/jm9504722 | |||
| 57403666 | 70894 | None | 0 | Rabbit | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 472 | 9 | 1 | 8 | 3.5 | CCOC(=O)CCc1c(C)nc(CC)n(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c1=O | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951122 | 70894 | None | 0 | Rabbit | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 472 | 9 | 1 | 8 | 3.5 | CCOC(=O)CCc1c(C)nc(CC)n(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c1=O | 10.1016/j.bmcl.2011.12.116 | |||
| 57396698 | 70899 | None | 0 | Rabbit | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 513 | 11 | 1 | 7 | 4.2 | CCCCc1nc(C)c(CC(=O)N(CC)CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951127 | 70899 | None | 0 | Rabbit | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 513 | 11 | 1 | 7 | 4.2 | CCCCc1nc(C)c(CC(=O)N(CC)CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 6918269 | 98523 | None | 10 | Bovine | Functional | pIC50 | = | 7.5 | 7.5 | -5 | 2 | ChEMBL | 508 | 9 | 1 | 7 | 5.5 | CCCCc1nc2ccc(C(C)(C)OC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL275875 | 98523 | None | 10 | Bovine | Functional | pIC50 | = | 7.5 | 7.5 | -5 | 2 | ChEMBL | 508 | 9 | 1 | 7 | 5.5 | CCCCc1nc2ccc(C(C)(C)OC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL295959 | 98523 | None | 10 | Bovine | Functional | pIC50 | = | 7.5 | 7.5 | -5 | 2 | ChEMBL | 508 | 9 | 1 | 7 | 5.5 | CCCCc1nc2ccc(C(C)(C)OC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 10027636 | 24602 | None | 0 | Rabbit | Functional | pIC50 | = | 7.5 | 7.5 | 70 | 2 | ChEMBL | 468 | 9 | 1 | 5 | 5.7 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(CC2CC2)C(C(=O)O)c2ccccc2)cc1 | 10.1021/jm00078a014 | |||
| CHEMBL134286 | 24602 | None | 0 | Rabbit | Functional | pIC50 | = | 7.5 | 7.5 | 70 | 2 | ChEMBL | 468 | 9 | 1 | 5 | 5.7 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(CC2CC2)C(C(=O)O)c2ccccc2)cc1 | 10.1021/jm00078a014 | |||
| 135406019 | 24041 | None | 8 | Human | Functional | pIC50 | = | 5.5 | 5.5 | - | 1 | ChEMBL | 264 | 2 | 1 | 3 | 3.0 | CC(=O)c1ccc(N=C2C(=O)Nc3ccccc32)cc1 | nan | |||
| CHEMBL1338100 | 24041 | None | 8 | Human | Functional | pIC50 | = | 5.5 | 5.5 | - | 1 | ChEMBL | 264 | 2 | 1 | 3 | 3.0 | CC(=O)c1ccc(N=C2C(=O)Nc3ccccc32)cc1 | nan | |||
| 3395163 | 29845 | None | 3 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 441 | 11 | 1 | 7 | 3.5 | CSCCC(NC(=O)COc1ccccc1)C(=O)OCC(=O)c1cc2ccccc2o1 | nan | |||
| CHEMBL1387520 | 29845 | None | 3 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 441 | 11 | 1 | 7 | 3.5 | CSCCC(NC(=O)COc1ccccc1)C(=O)OCC(=O)c1cc2ccccc2o1 | nan | |||
| 6603703 | 208 | None | 8 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -1047 | 18 | ChEMBL | 329 | 2 | 3 | 4 | 3.3 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)C12CC3CC(C2)CC(C1)C3 | 10.6019/CHEMBL5442687 | |||
| 9637 | 208 | None | 8 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -1047 | 18 | ChEMBL | 329 | 2 | 3 | 4 | 3.3 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)C12CC3CC(C2)CC(C1)C3 | 10.6019/CHEMBL5442687 | |||
| CHEMBL291143 | 208 | None | 8 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -1047 | 18 | ChEMBL | 329 | 2 | 3 | 4 | 3.3 | NC[C@@H]1O[C@@H](Cc2c1ccc(c2O)O)C12CC3CC(C2)CC(C1)C3 | 10.6019/CHEMBL5442687 | |||
| 16012865 | 23349 | None | 7 | Human | Functional | pIC50 | = | 5.5 | 5.5 | - | 1 | ChEMBL | 480 | 6 | 1 | 7 | 2.6 | CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)cc1 | nan | |||
| CHEMBL1332454 | 23349 | None | 7 | Human | Functional | pIC50 | = | 5.5 | 5.5 | - | 1 | ChEMBL | 480 | 6 | 1 | 7 | 2.6 | CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)cc1 | nan | |||
| 67903275 | 186629 | None | 4 | Human | Functional | pIC50 | = | 7.5 | 7.5 | 257 | 2 | ChEMBL | 402 | 7 | 1 | 5 | 4.2 | CCCCC1=NC(C)(C)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.1c00240 | |||
| CHEMBL4877651 | 186629 | None | 4 | Human | Functional | pIC50 | = | 7.5 | 7.5 | 257 | 2 | ChEMBL | 402 | 7 | 1 | 5 | 4.2 | CCCCC1=NC(C)(C)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.1c00240 | |||
| 142534170 | 166900 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 591 | 9 | 1 | 7 | 5.8 | CCCCc1nc(C)c(CC(=S)N2Cc3ccccc3C2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| CHEMBL4284403 | 166900 | None | 0 | Human | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 591 | 9 | 1 | 7 | 5.8 | CCCCc1nc(C)c(CC(=S)N2Cc3ccccc3C2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| 44292039 | 182199 | None | 1 | Bovine | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 547 | 8 | 1 | 8 | 5.5 | CCCCc1nc2ccc([C@@H]3C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL47817 | 182199 | None | 1 | Bovine | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 547 | 8 | 1 | 8 | 5.5 | CCCCc1nc2ccc([C@@H]3C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 14956801 | 208568 | None | 0 | Rabbit | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 555 | 9 | 1 | 7 | 5.0 | CCCCc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL85765 | 208568 | None | 0 | Rabbit | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 555 | 9 | 1 | 7 | 5.0 | CCCCc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 10251520 | 98875 | None | 0 | Rabbit | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 419 | 5 | 0 | 5 | 5.5 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2Cc2ccccc2C#N)c1 | 10.1021/jm00078a013 | |||
| CHEMBL278656 | 98875 | None | 0 | Rabbit | Functional | pIC50 | = | 6.5 | 6.5 | - | 1 | ChEMBL | 419 | 5 | 0 | 5 | 5.5 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2Cc2ccccc2C#N)c1 | 10.1021/jm00078a013 | |||
| 5731496 | 53199 | None | 6 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 281 | 2 | 1 | 2 | 4.8 | Oc1cccc2ccc(/C=C/c3ccccc3Cl)nc12 | nan | |||
| CHEMBL1598569 | 53199 | None | 6 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 281 | 2 | 1 | 2 | 4.8 | Oc1cccc2ccc(/C=C/c3ccccc3Cl)nc12 | nan | |||
| 1613606 | 48037 | None | 10 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 392 | 8 | 1 | 7 | 1.6 | Cc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] | nan | |||
| CHEMBL1550301 | 48037 | None | 10 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 392 | 8 | 1 | 7 | 1.6 | Cc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] | nan | |||
| 44417426 | 141663 | None | 0 | Rabbit | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 469 | 6 | 2 | 5 | 5.1 | CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(C2c3ccccc3C(C)(O)C2C(=O)O)cc1 | 10.1021/jm0603163 | |||
| CHEMBL384936 | 141663 | None | 0 | Rabbit | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 469 | 6 | 2 | 5 | 5.1 | CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(C2c3ccccc3C(C)(O)C2C(=O)O)cc1 | 10.1021/jm0603163 | |||
| 14956751 | 208759 | None | 0 | Rabbit | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 509 | 9 | 1 | 9 | 4.1 | CCCCc1nn(-c2ccc(C(=O)OC)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87073 | 208759 | None | 0 | Rabbit | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 509 | 9 | 1 | 9 | 4.1 | CCCCc1nn(-c2ccc(C(=O)OC)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956802 | 208773 | None | 0 | Rabbit | Functional | pIC50 | = | 7.5 | 7.5 | 1 | 2 | ChEMBL | 515 | 9 | 1 | 7 | 5.5 | CCCCc1nn(Cc2cccc3ccccc23)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87184 | 208773 | None | 0 | Rabbit | Functional | pIC50 | = | 7.5 | 7.5 | 1 | 2 | ChEMBL | 515 | 9 | 1 | 7 | 5.5 | CCCCc1nn(Cc2cccc3ccccc23)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 1610 | 2347 | None | 64 | Bovine | Functional | pIC50 | = | 6.5 | 6.5 | -134 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/S0960-894X(00)80365-0 | |||
| 3941 | 2347 | None | 64 | Bovine | Functional | pIC50 | = | 6.5 | 6.5 | -134 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/S0960-894X(00)80365-0 | |||
| 3961 | 2347 | None | 64 | Bovine | Functional | pIC50 | = | 6.5 | 6.5 | -134 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/S0960-894X(00)80365-0 | |||
| 3961.0 | 2347 | None | 64 | Bovine | Functional | pIC50 | = | 6.5 | 6.5 | -134 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/S0960-894X(00)80365-0 | |||
| 590 | 2347 | None | 64 | Bovine | Functional | pIC50 | = | 6.5 | 6.5 | -134 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL191 | 2347 | None | 64 | Bovine | Functional | pIC50 | = | 6.5 | 6.5 | -134 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/S0960-894X(00)80365-0 | |||
| DB00678 | 2347 | None | 64 | Bovine | Functional | pIC50 | = | 6.5 | 6.5 | -134 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/S0960-894X(00)80365-0 | |||
| 44355656 | 116148 | None | 0 | Rabbit | Functional | pIC50 | = | 5.5 | 5.5 | - | 1 | ChEMBL | 467 | 6 | 1 | 6 | 5.8 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2Cc2ccccc2NC(=O)OC)c1 | 10.1021/jm00078a013 | |||
| CHEMBL335680 | 116148 | None | 0 | Rabbit | Functional | pIC50 | = | 5.5 | 5.5 | - | 1 | ChEMBL | 467 | 6 | 1 | 6 | 5.8 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2Cc2ccccc2NC(=O)OC)c1 | 10.1021/jm00078a013 | |||
| 44202070 | 39629 | None | 0 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 271 | 1 | 0 | 2 | 3.5 | Cc1ccc2c(c1)C(=O)C(=O)N2c1ccc(Cl)cc1 | nan | |||
| CHEMBL1474191 | 39629 | None | 0 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 271 | 1 | 0 | 2 | 3.5 | Cc1ccc2c(c1)C(=O)C(=O)N2c1ccc(Cl)cc1 | nan | |||
| 1730709 | 24048 | None | 9 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 370 | 8 | 1 | 6 | 3.0 | Cc1ccccc1NC(=O)CCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 | nan | |||
| CHEMBL1338165 | 24048 | None | 9 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 370 | 8 | 1 | 6 | 3.0 | Cc1ccccc1NC(=O)CCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 | nan | |||
| 2899190 | 52567 | None | 7 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 386 | 6 | 0 | 7 | 1.6 | Cc1ccc(C(=O)COC(=O)CN2C(=O)C3CC=CCC3C2=O)cc1[N+](=O)[O-] | nan | |||
| CHEMBL1592181 | 52567 | None | 7 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 386 | 6 | 0 | 7 | 1.6 | Cc1ccc(C(=O)COC(=O)CN2C(=O)C3CC=CCC3C2=O)cc1[N+](=O)[O-] | nan | |||
| 2285607 | 38572 | None | 7 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 400 | 9 | 1 | 7 | 3.1 | COc1ccccc1NC(=O)CCC(=O)OCC(=O)c1ccc(C)c([N+](=O)[O-])c1 | nan | |||
| CHEMBL1464749 | 38572 | None | 7 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 400 | 9 | 1 | 7 | 3.1 | COc1ccccc1NC(=O)CCC(=O)OCC(=O)c1ccc(C)c([N+](=O)[O-])c1 | nan | |||
| 44201736 | 27470 | None | 0 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 586 | 9 | 2 | 5 | 5.2 | O=C1NC[C@H](c2ccccc2)OC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C/C[C@@H]1CC(=O)N(CCO)Cc1ccccc1 | nan | |||
| CHEMBL1368499 | 27470 | None | 0 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 586 | 9 | 2 | 5 | 5.2 | O=C1NC[C@H](c2ccccc2)OC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C/C[C@@H]1CC(=O)N(CCO)Cc1ccccc1 | nan | |||
| 16195321 | 51057 | None | 2 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 413 | 6 | 0 | 5 | 4.9 | CN(C)CCN(Cc1ccco1)C(=O)c1cc2c(Cl)nc3ccccc3c2s1 | nan | |||
| CHEMBL1578651 | 51057 | None | 2 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 413 | 6 | 0 | 5 | 4.9 | CN(C)CCN(Cc1ccco1)C(=O)c1cc2c(Cl)nc3ccccc3c2s1 | nan | |||
| 10344571 | 116678 | None | 0 | Rabbit | Functional | pIC50 | = | 7.5 | 7.5 | 125 | 2 | ChEMBL | 468 | 9 | 1 | 5 | 5.8 | C=CCN(c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1C)C(C(=O)O)c1ccccc1 | 10.1021/jm00078a014 | |||
| CHEMBL336773 | 116678 | None | 0 | Rabbit | Functional | pIC50 | = | 7.5 | 7.5 | 125 | 2 | ChEMBL | 468 | 9 | 1 | 5 | 5.8 | C=CCN(c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1C)C(C(=O)O)c1ccccc1 | 10.1021/jm00078a014 | |||
| 4210369 | 42444 | None | 10 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 424 | 8 | 1 | 6 | 4.0 | O=C(CCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1Cl | nan | |||
| CHEMBL1499072 | 42444 | None | 10 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 424 | 8 | 1 | 6 | 4.0 | O=C(CCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1Cl | nan | |||
| 1726742 | 33403 | None | 10 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 398 | 9 | 1 | 7 | 2.9 | CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 | nan | |||
| CHEMBL1419495 | 33403 | None | 10 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 398 | 9 | 1 | 7 | 2.9 | CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 | nan | |||
| 9548123 | 47778 | None | 0 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 378 | 3 | 1 | 5 | 3.1 | COc1ccc2c(c1)C(=O)[C@@H](O)[C@H](c1ccc(OC)c(Br)c1)O2 | nan | |||
| CHEMBL1548173 | 47778 | None | 0 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 378 | 3 | 1 | 5 | 3.1 | COc1ccc2c(c1)C(=O)[C@@H](O)[C@H](c1ccc(OC)c(Br)c1)O2 | nan | |||
| 5416363 | 108239 | None | 2 | Human | Functional | pIC50 | = | 5.5 | 5.5 | - | 1 | ChEMBL | 295 | 3 | 1 | 3 | 3.5 | C/C(=N/NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccn1 | nan | |||
| CHEMBL3196324 | 108239 | None | 2 | Human | Functional | pIC50 | = | 5.5 | 5.5 | - | 1 | ChEMBL | 295 | 3 | 1 | 3 | 3.5 | C/C(=N/NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccn1 | nan | |||
| 44292214 | 175994 | None | 0 | Bovine | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 577 | 9 | 2 | 9 | 4.6 | CCCCc1nc2ccc([C@]3(CO)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL45864 | 175994 | None | 0 | Bovine | Functional | pIC50 | = | 7.5 | 7.5 | - | 1 | ChEMBL | 577 | 9 | 2 | 9 | 4.6 | CCCCc1nc2ccc([C@]3(CO)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 10364891 | 26253 | None | 0 | Rabbit | Functional | pIC50 | = | 6.5 | 6.5 | 33 | 2 | ChEMBL | 421 | 5 | 0 | 5 | 5.3 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(C#N)c1ccccc1 | 10.1021/jm00078a013 | |||
| CHEMBL135792 | 26253 | None | 0 | Rabbit | Functional | pIC50 | = | 6.5 | 6.5 | 33 | 2 | ChEMBL | 421 | 5 | 0 | 5 | 5.3 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(C#N)c1ccccc1 | 10.1021/jm00078a013 | |||
| 9550553 | 54537 | None | 5 | Human | Functional | pIC50 | = | 5.5 | 5.5 | 2 | 3 | ChEMBL | 445 | 8 | 1 | 11 | 4.3 | CCC(=O)OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+](=O)[O-] | nan | |||
| CHEMBL1610025 | 54537 | None | 5 | Human | Functional | pIC50 | = | 5.5 | 5.5 | 2 | 3 | ChEMBL | 445 | 8 | 1 | 11 | 4.3 | CCC(=O)OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+](=O)[O-] | nan | |||
| 1266032 | 40891 | None | 3 | Human | Functional | pIC50 | = | 5.5 | 5.5 | 3 | 2 | ChEMBL | 343 | 2 | 0 | 3 | 4.9 | O=C(Sc1cccc2cccnc12)c1ccccc1Br | nan | |||
| CHEMBL1486214 | 40891 | None | 3 | Human | Functional | pIC50 | = | 5.5 | 5.5 | 3 | 2 | ChEMBL | 343 | 2 | 0 | 3 | 4.9 | O=C(Sc1cccc2cccnc12)c1ccccc1Br | nan | |||
| 9608279 | 107846 | None | 4 | Human | Functional | pIC50 | = | 5.5 | 5.5 | - | 1 | ChEMBL | 366 | 6 | 1 | 8 | 3.1 | COc1ccc(/C=N/Nc2cc(C)nc(-n3nc(C)cc3C)n2)c(OC)c1 | nan | |||
| CHEMBL3191846 | 107846 | None | 4 | Human | Functional | pIC50 | = | 5.5 | 5.5 | - | 1 | ChEMBL | 366 | 6 | 1 | 8 | 3.1 | COc1ccc(/C=N/Nc2cc(C)nc(-n3nc(C)cc3C)n2)c(OC)c1 | nan | |||
| 5341487 | 72375 | None | 14 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -1 | 2 | ChEMBL | 317 | 3 | 1 | 3 | 3.0 | C/C(=N\NC(=O)c1cccc(Br)c1)c1ccccn1 | nan | |||
| CHEMBL1984876 | 72375 | None | 14 | Human | Functional | pIC50 | = | 5.5 | 5.5 | -1 | 2 | ChEMBL | 317 | 3 | 1 | 3 | 3.0 | C/C(=N\NC(=O)c1cccc(Br)c1)c1ccccn1 | nan | |||
| 11100 | 126023 | None | 54 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 192 | 3 | 1 | 4 | 1.8 | O=C(c1ccco1)C(O)c1ccco1 | nan | |||
| CHEMBL364893 | 126023 | None | 54 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 192 | 3 | 1 | 4 | 1.8 | O=C(c1ccco1)C(O)c1ccco1 | nan | |||
| 135472780 | 28454 | None | 5 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 277 | 2 | 1 | 4 | 5.0 | Cc1ccc(N=Nc2ccc(O)c3ncccc23)cc1C | nan | |||
| CHEMBL1375373 | 28454 | None | 5 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 277 | 2 | 1 | 4 | 5.0 | Cc1ccc(N=Nc2ccc(O)c3ncccc23)cc1C | nan | |||
| 2360979 | 38961 | None | 4 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 275 | 5 | 1 | 3 | 3.6 | COc1ccccc1NCC(=O)c1ccc(Cl)cc1 | nan | |||
| CHEMBL1467838 | 38961 | None | 4 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 275 | 5 | 1 | 3 | 3.6 | COc1ccccc1NCC(=O)c1ccc(Cl)cc1 | nan | |||
| 3106500 | 24797 | None | 7 | Human | Functional | pIC50 | = | 4.5 | 4.5 | -1 | 2 | ChEMBL | 306 | 3 | 1 | 7 | 1.5 | CC1=NN(C(N)=S)C(=O)C1N=Nc1ccc([N+](=O)[O-])cc1 | nan | |||
| CHEMBL1344603 | 24797 | None | 7 | Human | Functional | pIC50 | = | 4.5 | 4.5 | -1 | 2 | ChEMBL | 306 | 3 | 1 | 7 | 1.5 | CC1=NN(C(N)=S)C(=O)C1N=Nc1ccc([N+](=O)[O-])cc1 | nan | |||
| 2431535 | 38934 | None | 3 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 343 | 4 | 0 | 4 | 4.1 | O=C(COC(=O)c1cccnc1Cl)c1ccc(Cl)cc1Cl | nan | |||
| CHEMBL1467556 | 38934 | None | 3 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 343 | 4 | 0 | 4 | 4.1 | O=C(COC(=O)c1cccnc1Cl)c1ccc(Cl)cc1Cl | nan | |||
| 2324620 | 24907 | None | 10 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 455 | 4 | 4 | 4 | 4.3 | CC(C)(C)c1cc(CCC(=O)NNC(=S)NC(=O)c2ccccc2)cc(C(C)(C)C)c1O | nan | |||
| CHEMBL1345564 | 24907 | None | 10 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 455 | 4 | 4 | 4 | 4.3 | CC(C)(C)c1cc(CCC(=O)NNC(=S)NC(=O)c2ccccc2)cc(C(C)(C)C)c1O | nan | |||
| 1875884 | 24512 | None | 4 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 436 | 5 | 3 | 6 | 3.0 | COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2c(-c3ccccc3)noc2C)cc1 | nan | |||
| CHEMBL1342221 | 24512 | None | 4 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 436 | 5 | 3 | 6 | 3.0 | COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2c(-c3ccccc3)noc2C)cc1 | nan | |||
| 16012896 | 33007 | None | 8 | Human | Functional | pIC50 | = | 5.5 | 5.5 | 1 | 3 | ChEMBL | 494 | 7 | 1 | 7 | 3.0 | CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)n1 | nan | |||
| CHEMBL1416089 | 33007 | None | 8 | Human | Functional | pIC50 | = | 5.5 | 5.5 | 1 | 3 | ChEMBL | 494 | 7 | 1 | 7 | 3.0 | CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)n1 | nan | |||
| 2352555 | 52388 | None | 3 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 309 | 4 | 0 | 4 | 3.4 | O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1ccccn1 | nan | |||
| CHEMBL1589900 | 52388 | None | 3 | Human | Functional | pIC50 | = | 4.5 | 4.5 | - | 1 | ChEMBL | 309 | 4 | 0 | 4 | 3.4 | O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1ccccn1 | nan | |||
| 3146836 | 107714 | None | 6 | Human | Functional | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | 399 | 4 | 1 | 6 | 5.6 | CCOC(=O)C1=C(C)N=C2CC(c3cccs3)CC(O)=C2C1c1cccs1 | nan | |||
| CHEMBL3190347 | 107714 | None | 6 | Human | Functional | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | 399 | 4 | 1 | 6 | 5.6 | CCOC(=O)C1=C(C)N=C2CC(c3cccs3)CC(O)=C2C1c1cccs1 | nan | |||
| 52936725 | 61270 | None | 22 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -758 | 10 | ChEMBL | 432 | 6 | 2 | 4 | 6.3 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccc(O)c4)cc3c2OCCCN)c1 | 10.6019/CHEMBL5442687 | |||
| CHEMBL1766103 | 61270 | None | 22 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -758 | 10 | ChEMBL | 432 | 6 | 2 | 4 | 6.3 | Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cccc(O)c4)cc3c2OCCCN)c1 | 10.6019/CHEMBL5442687 | |||
| 135400342 | 39778 | None | 4 | Human | Functional | pIC50 | = | 5.4 | 5.4 | - | 1 | ChEMBL | 293 | 4 | 2 | 7 | 2.2 | O=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccc(Cl)nn2)c1 | nan | |||
| CHEMBL1476264 | 39778 | None | 4 | Human | Functional | pIC50 | = | 5.4 | 5.4 | - | 1 | ChEMBL | 293 | 4 | 2 | 7 | 2.2 | O=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccc(Cl)nn2)c1 | nan | |||
| 1612942 | 40849 | None | 7 | Human | Functional | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | 370 | 7 | 1 | 6 | 2.4 | Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 | nan | |||
| CHEMBL1485784 | 40849 | None | 7 | Human | Functional | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | 370 | 7 | 1 | 6 | 2.4 | Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 | nan | |||
| 24818379 | 41111 | None | 3 | Human | Functional | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | 353 | 6 | 2 | 8 | 1.3 | COc1ccc(S(=O)(=O)NNc2nc(C)cc(C)n2)cc1[N+](=O)[O-] | nan | |||
| CHEMBL1487991 | 41111 | None | 3 | Human | Functional | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | 353 | 6 | 2 | 8 | 1.3 | COc1ccc(S(=O)(=O)NNc2nc(C)cc(C)n2)cc1[N+](=O)[O-] | nan | |||
| 82533 | 41057 | None | 48 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -6 | 5 | ChEMBL | 298 | 3 | 1 | 3 | 3.3 | Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1 | nan | |||
| CHEMBL1487635 | 41057 | None | 48 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -6 | 5 | ChEMBL | 298 | 3 | 1 | 3 | 3.3 | Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1 | nan | |||
| 5286934 | 49315 | None | 4 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -2 | 5 | ChEMBL | 294 | 9 | 0 | 4 | 2.4 | CCCCS(=O)(=O)/C=C\C=C/S(=O)(=O)CCCC | nan | |||
| CHEMBL1563483 | 49315 | None | 4 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -2 | 5 | ChEMBL | 294 | 9 | 0 | 4 | 2.4 | CCCCS(=O)(=O)/C=C\C=C/S(=O)(=O)CCCC | nan | |||
| 930382 | 34018 | None | 7 | Human | Functional | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | 309 | 4 | 0 | 4 | 3.4 | O=C(COC(=O)c1cccnc1)c1ccc(Cl)c(Cl)c1 | nan | |||
| CHEMBL1424582 | 34018 | None | 7 | Human | Functional | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | 309 | 4 | 0 | 4 | 3.4 | O=C(COC(=O)c1cccnc1)c1ccc(Cl)c(Cl)c1 | nan | |||
| 2811457 | 34430 | None | 2 | Human | Functional | pIC50 | = | 5.4 | 5.4 | - | 1 | ChEMBL | 273 | 4 | 2 | 4 | 3.2 | Cc1noc(C)c1C(=O)NNc1ccc(C(C)C)cc1 | nan | |||
| CHEMBL1428121 | 34430 | None | 2 | Human | Functional | pIC50 | = | 5.4 | 5.4 | - | 1 | ChEMBL | 273 | 4 | 2 | 4 | 3.2 | Cc1noc(C)c1C(=O)NNc1ccc(C(C)C)cc1 | nan | |||
| 621 | 3035 | None | 27 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -10471 | 6 | ChEMBL | 554 | 9 | 4 | 5 | 5.6 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-] | 10.6019/CHEMBL5442687 | |||
| 9937534 | 3035 | None | 27 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -10471 | 6 | ChEMBL | 554 | 9 | 4 | 5 | 5.6 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-] | 10.6019/CHEMBL5442687 | |||
| CHEMBL329650 | 3035 | None | 27 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -10471 | 6 | ChEMBL | 554 | 9 | 4 | 5 | 5.6 | O=C(N[C@](C(=O)NCC1(CCCCC1)c1ccccn1)(Cc1c[nH]c2c1cccc2)C)Nc1ccc(cc1)[N+](=O)[O-] | 10.6019/CHEMBL5442687 | |||
| 14971679 | 111714 | None | 0 | Rabbit | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 608 | 10 | 1 | 7 | 7.8 | CCCCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL328598 | 111714 | None | 0 | Rabbit | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 608 | 10 | 1 | 7 | 7.8 | CCCCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 108185 | 1614 | None | 50 | Rat | Functional | pIC50 | = | 7.4 | 7.4 | -3 | 5 | ChEMBL | 436 | 8 | 2 | 6 | 4.5 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl | 10.1021/jm00057a009 | |||
| 586 | 1614 | None | 50 | Rat | Functional | pIC50 | = | 7.4 | 7.4 | -3 | 5 | ChEMBL | 436 | 8 | 2 | 6 | 4.5 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl | 10.1021/jm00057a009 | |||
| CHEMBL907 | 1614 | None | 50 | Rat | Functional | pIC50 | = | 7.4 | 7.4 | -3 | 5 | ChEMBL | 436 | 8 | 2 | 6 | 4.5 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl | 10.1021/jm00057a009 | |||
| 108185 | 1614 | None | 50 | Rabbit | Functional | pIC50 | = | 7.4 | 7.4 | -3 | 5 | ChEMBL | 436 | 8 | 2 | 6 | 4.5 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl | 10.1021/jm00069a015 | |||
| 586 | 1614 | None | 50 | Rabbit | Functional | pIC50 | = | 7.4 | 7.4 | -3 | 5 | ChEMBL | 436 | 8 | 2 | 6 | 4.5 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl | 10.1021/jm00069a015 | |||
| CHEMBL907 | 1614 | None | 50 | Rabbit | Functional | pIC50 | = | 7.4 | 7.4 | -3 | 5 | ChEMBL | 436 | 8 | 2 | 6 | 4.5 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl | 10.1021/jm00069a015 | |||
| 14956783 | 208234 | None | 0 | Rabbit | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 414 | 8 | 1 | 8 | 2.8 | CCCCc1nn(CC#N)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL82920 | 208234 | None | 0 | Rabbit | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 414 | 8 | 1 | 8 | 2.8 | CCCCc1nn(CC#N)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 9612783 | 107980 | None | 2 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 2 | 2 | ChEMBL | 345 | 6 | 1 | 4 | 3.7 | C/C(=N\NC(=O)COc1ccccc1-c1ccccc1)c1ccccn1 | nan | |||
| CHEMBL3193378 | 107980 | None | 2 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 2 | 2 | ChEMBL | 345 | 6 | 1 | 4 | 3.7 | C/C(=N\NC(=O)COc1ccccc1-c1ccccc1)c1ccccn1 | nan | |||
| 142534004 | 167454 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 557 | 9 | 1 | 7 | 5.3 | CCCCc1nc(C)c(CC(=S)N2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| CHEMBL4294618 | 167454 | None | 0 | Human | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 557 | 9 | 1 | 7 | 5.3 | CCCCc1nc(C)c(CC(=S)N2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| 15229102 | 101246 | None | 0 | Bovine | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 561 | 8 | 1 | 8 | 5.9 | CCCCc1nc2ccc([C@@H]3C[C@H]4CCCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL295695 | 101246 | None | 0 | Bovine | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 561 | 8 | 1 | 8 | 5.9 | CCCCc1nc2ccc([C@@H]3C[C@H]4CCCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 9982458 | 26517 | None | 0 | Rabbit | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 476 | 8 | 1 | 5 | 6.0 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(CC)C(C(=O)O)c2ccccc2Cl)cc1 | 10.1021/jm00078a014 | |||
| CHEMBL136034 | 26517 | None | 0 | Rabbit | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 476 | 8 | 1 | 5 | 6.0 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(CC)C(C(=O)O)c2ccccc2Cl)cc1 | 10.1021/jm00078a014 | |||
| 1720698 | 19546 | None | 8 | Human | Functional | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | 378 | 8 | 1 | 7 | 1.3 | O=C(CNS(=O)(=O)c1ccccc1)OCC(=O)c1cccc([N+](=O)[O-])c1 | nan | |||
| CHEMBL1299557 | 19546 | None | 8 | Human | Functional | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | 378 | 8 | 1 | 7 | 1.3 | O=C(CNS(=O)(=O)c1ccccc1)OCC(=O)c1cccc([N+](=O)[O-])c1 | nan | |||
| 2812498 | 43657 | None | 2 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 2 | 2 | ChEMBL | 362 | 5 | 2 | 4 | 4.3 | Cc1ccc(NNC(=O)c2cc(C(C)(C)C)nn2Cc2ccccc2)cc1 | nan | |||
| CHEMBL1509694 | 43657 | None | 2 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 2 | 2 | ChEMBL | 362 | 5 | 2 | 4 | 4.3 | Cc1ccc(NNC(=O)c2cc(C(C)(C)C)nn2Cc2ccccc2)cc1 | nan | |||
| 888488 | 50713 | None | 7 | Human | Functional | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | 301 | 5 | 0 | 7 | 1.7 | Cc1ccc(C(=O)COC(=O)c2cnccn2)cc1[N+](=O)[O-] | nan | |||
| CHEMBL1575784 | 50713 | None | 7 | Human | Functional | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | 301 | 5 | 0 | 7 | 1.7 | Cc1ccc(C(=O)COC(=O)c2cnccn2)cc1[N+](=O)[O-] | nan | |||
| 2766929 | 50324 | None | 21 | Human | Functional | pIC50 | = | 4.4 | 4.4 | -20 | 4 | ChEMBL | 287 | 1 | 0 | 4 | 3.1 | CC(C)(C)c1ccc(-n2nc(C#N)c(Cl)cc2=O)cc1 | nan | |||
| CHEMBL1572001 | 50324 | None | 21 | Human | Functional | pIC50 | = | 4.4 | 4.4 | -20 | 4 | ChEMBL | 287 | 1 | 0 | 4 | 3.1 | CC(C)(C)c1ccc(-n2nc(C#N)c(Cl)cc2=O)cc1 | nan | |||
| 130606 | 36280 | None | 44 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -9 | 4 | ChEMBL | 328 | 4 | 1 | 4 | 3.4 | COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2ncccc2c1 | nan | |||
| CHEMBL1445650 | 36280 | None | 44 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -9 | 4 | ChEMBL | 328 | 4 | 1 | 4 | 3.4 | COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2ncccc2c1 | nan | |||
| 44292173 | 172555 | None | 0 | Bovine | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 575 | 8 | 1 | 8 | 6.3 | CCCCc1nc2ccc([C@@H]3C[C@H]4CCC(C)(C)N4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL44798 | 172555 | None | 0 | Bovine | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 575 | 8 | 1 | 8 | 6.3 | CCCCc1nc2ccc([C@@H]3C[C@H]4CCC(C)(C)N4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 164616479 | 185422 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | 16 | 2 | ChEMBL | 404 | 7 | 2 | 5 | 3.8 | CCCCC1NC(C)(C)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.1c00240 | |||
| CHEMBL4859498 | 185422 | None | 0 | Human | Functional | pIC50 | = | 6.4 | 6.4 | 16 | 2 | ChEMBL | 404 | 7 | 2 | 5 | 3.8 | CCCCC1NC(C)(C)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1021/acsmedchemlett.1c00240 | |||
| 2426323 | 37582 | None | 3 | Human | Functional | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | 360 | 3 | 3 | 3 | 4.6 | Cc1ccccc1N=C(S)NNc1ncc(C(F)(F)F)cc1Cl | nan | |||
| CHEMBL1456428 | 37582 | None | 3 | Human | Functional | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | 360 | 3 | 3 | 3 | 4.6 | Cc1ccccc1N=C(S)NNc1ncc(C(F)(F)F)cc1Cl | nan | |||
| 1472216 | 50628 | None | 10 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -3 | 4 | ChEMBL | 384 | 6 | 1 | 4 | 3.6 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccccc2)cn1 | nan | |||
| CHEMBL1574879 | 50628 | None | 10 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -3 | 4 | ChEMBL | 384 | 6 | 1 | 4 | 3.6 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccccc2)cn1 | nan | |||
| 135421501 | 49844 | None | 9 | Human | Functional | pIC50 | = | 5.4 | 5.4 | - | 1 | ChEMBL | 344 | 2 | 1 | 3 | 3.8 | COc1ccc(N=C2C(=O)Nc3ccc(C)c(Br)c32)cc1 | nan | |||
| CHEMBL1567702 | 49844 | None | 9 | Human | Functional | pIC50 | = | 5.4 | 5.4 | - | 1 | ChEMBL | 344 | 2 | 1 | 3 | 3.8 | COc1ccc(N=C2C(=O)Nc3ccc(C)c(Br)c32)cc1 | nan | |||
| 16193016 | 56145 | None | 4 | Human | Functional | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | 354 | 4 | 0 | 2 | 3.4 | O=C(C[N+]1(CC#Cc2ccccc2)CCOCC1)c1ccc(Cl)cc1 | nan | |||
| CHEMBL1602056 | 56145 | None | 4 | Human | Functional | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | 354 | 4 | 0 | 2 | 3.4 | O=C(C[N+]1(CC#Cc2ccccc2)CCOCC1)c1ccc(Cl)cc1 | nan | |||
| CHEMBL1625597 | 56145 | None | 4 | Human | Functional | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | 354 | 4 | 0 | 2 | 3.4 | O=C(C[N+]1(CC#Cc2ccccc2)CCOCC1)c1ccc(Cl)cc1 | nan | |||
| 3368605 | 19828 | None | 7 | Human | Functional | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | 504 | 5 | 0 | 6 | 5.4 | O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)C(=O)N(c1cccc3ncccc13)C2=O | nan | |||
| CHEMBL1301939 | 19828 | None | 7 | Human | Functional | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | 504 | 5 | 0 | 6 | 5.4 | O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)C(=O)N(c1cccc3ncccc13)C2=O | nan | |||
| 2114872 | 20790 | None | 3 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 1 | 2 | ChEMBL | 273 | 2 | 1 | 4 | 3.1 | O=C(Nc1nc2ccc(F)cc2s1)c1ccccn1 | nan | |||
| CHEMBL1309573 | 20790 | None | 3 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 1 | 2 | ChEMBL | 273 | 2 | 1 | 4 | 3.1 | O=C(Nc1nc2ccc(F)cc2s1)c1ccccn1 | nan | |||
| 2928370 | 45481 | None | 5 | Human | Functional | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | 356 | 5 | 1 | 5 | 3.2 | CCOC(=O)C1=NNC(C(=O)c2ccc(Cl)cc2)C1c1ccccc1 | nan | |||
| CHEMBL1528033 | 45481 | None | 5 | Human | Functional | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | 356 | 5 | 1 | 5 | 3.2 | CCOC(=O)C1=NNC(C(=O)c2ccc(Cl)cc2)C1c1ccccc1 | nan | |||
| 135426090 | 34355 | None | 9 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 3 | 2 | ChEMBL | 318 | 3 | 2 | 6 | 4.0 | Cc1ccc2oc(Nc3nc(O)cc(-c4ccccc4)n3)nc2c1 | nan | |||
| CHEMBL1427431 | 34355 | None | 9 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 3 | 2 | ChEMBL | 318 | 3 | 2 | 6 | 4.0 | Cc1ccc2oc(Nc3nc(O)cc(-c4ccccc4)n3)nc2c1 | nan | |||
| 135632169 | 51684 | None | 5 | Human | Functional | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | 419 | 5 | 2 | 7 | 2.4 | O=C1N=C(NS(=O)(=O)Cc2ccccc2)S/C1=C/c1cc([N+](=O)[O-])ccc1O | nan | |||
| 136087362 | 51684 | None | 5 | Human | Functional | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | 419 | 5 | 2 | 7 | 2.4 | O=C1N=C(NS(=O)(=O)Cc2ccccc2)S/C1=C/c1cc([N+](=O)[O-])ccc1O | nan | |||
| CHEMBL1583998 | 51684 | None | 5 | Human | Functional | pIC50 | = | 4.4 | 4.4 | - | 1 | ChEMBL | 419 | 5 | 2 | 7 | 2.4 | O=C1N=C(NS(=O)(=O)Cc2ccccc2)S/C1=C/c1cc([N+](=O)[O-])ccc1O | nan | |||
| 10456041 | 25863 | None | 0 | Rabbit | Functional | pIC50 | = | 8.4 | 8.4 | 186 | 2 | ChEMBL | 442 | 8 | 1 | 5 | 5.3 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(CC)C(C(=O)O)c2ccccc2)cc1 | 10.1021/jm00078a014 | |||
| CHEMBL135346 | 25863 | None | 0 | Rabbit | Functional | pIC50 | = | 8.4 | 8.4 | 186 | 2 | ChEMBL | 442 | 8 | 1 | 5 | 5.3 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(CC)C(C(=O)O)c2ccccc2)cc1 | 10.1021/jm00078a014 | |||
| 44459595 | 99511 | None | 0 | Rabbit | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 516 | 6 | 2 | 7 | 5.1 | CC1(C)CC(=O)NN=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1 | 10.1016/S0960-894X(01)80348-6 | |||
| CHEMBL2079785 | 99511 | None | 0 | Rabbit | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 516 | 6 | 2 | 7 | 5.1 | CC1(C)CC(=O)NN=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1 | 10.1016/S0960-894X(01)80348-6 | |||
| CHEMBL283055 | 99511 | None | 0 | Rabbit | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 516 | 6 | 2 | 7 | 5.1 | CC1(C)CC(=O)NN=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1 | 10.1016/S0960-894X(01)80348-6 | |||
| 44459878 | 99761 | None | 0 | Rabbit | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 574 | 8 | 1 | 9 | 4.6 | COC(=O)CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nn[nH]n5)cc4)c3c2)C(C)CC1=O | 10.1016/S0960-894X(01)80348-6 | |||
| CHEMBL284704 | 99761 | None | 0 | Rabbit | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 574 | 8 | 1 | 9 | 4.6 | COC(=O)CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nn[nH]n5)cc4)c3c2)C(C)CC1=O | 10.1016/S0960-894X(01)80348-6 | |||
| 53657506 | 70910 | None | 0 | Rabbit | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 557 | 10 | 1 | 8 | 4.3 | CCCCc1nc(C)c(CCC(=O)N2CCSCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951138 | 70910 | None | 0 | Rabbit | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 557 | 10 | 1 | 8 | 4.3 | CCCCc1nc(C)c(CCC(=O)N2CCSCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 14956738 | 208256 | None | 0 | Rabbit | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 465 | 8 | 1 | 7 | 4.6 | CCCCc1nn(-c2ccccc2C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL83180 | 208256 | None | 0 | Rabbit | Functional | pIC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 465 | 8 | 1 | 7 | 4.6 | CCCCc1nn(-c2ccccc2C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 9870652 | 70916 | None | 54 | Human | Functional | pIC50 | = | 8.4 | 8.4 | -15 | 2 | ChEMBL | 501 | 9 | 1 | 7 | 4.2 | CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| 9870652.0 | 70916 | None | 54 | Human | Functional | pIC50 | = | 8.4 | 8.4 | -15 | 2 | ChEMBL | 501 | 9 | 1 | 7 | 4.2 | CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| CHEMBL1951143 | 70916 | None | 54 | Human | Functional | pIC50 | = | 8.4 | 8.4 | -15 | 2 | ChEMBL | 501 | 9 | 1 | 7 | 4.2 | CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| DB09279 | 70916 | None | 54 | Human | Functional | pIC50 | = | 8.4 | 8.4 | -15 | 2 | ChEMBL | 501 | 9 | 1 | 7 | 4.2 | CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| 11974939 | 82170 | None | 0 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 466 | 5 | 1 | 6 | 4.9 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(C(=O)O)n(C)c(=O)c3ccccc23)cc1 | 10.1021/jm0603163 | |||
| CHEMBL216747 | 82170 | None | 0 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 466 | 5 | 1 | 6 | 4.9 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(C(=O)O)n(C)c(=O)c3ccccc23)cc1 | 10.1021/jm0603163 | |||
| 10183373 | 165105 | None | 0 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | 3 | 2 | ChEMBL | 465 | 9 | 1 | 7 | 4.3 | CCCCc1nn(Cc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL422593 | 165105 | None | 0 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | 3 | 2 | ChEMBL | 465 | 9 | 1 | 7 | 4.3 | CCCCc1nn(Cc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 10183373 | 165105 | None | 0 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | 3 | 2 | ChEMBL | 465 | 9 | 1 | 7 | 4.3 | CCCCc1nn(Cc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL422593 | 165105 | None | 0 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | 3 | 2 | ChEMBL | 465 | 9 | 1 | 7 | 4.3 | CCCCc1nn(Cc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 54199501 | 70891 | None | 0 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 486 | 10 | 1 | 8 | 3.9 | CCCCc1nc(C)c(CC(=O)OCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951119 | 70891 | None | 0 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 486 | 10 | 1 | 8 | 3.9 | CCCCc1nc(C)c(CC(=O)OCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 54558598 | 70900 | None | 0 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 499 | 10 | 1 | 7 | 3.8 | CCCc1nc(C)c(CC(=O)N(CC)CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951128 | 70900 | None | 0 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 499 | 10 | 1 | 7 | 3.8 | CCCc1nc(C)c(CC(=O)N(CC)CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 142534183 | 167365 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 503 | 8 | 1 | 7 | 4.0 | CCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| CHEMBL4293170 | 167365 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 503 | 8 | 1 | 7 | 4.0 | CCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| 14956794 | 208536 | None | 0 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 479 | 9 | 1 | 7 | 4.9 | CCCCc1nn(C(C)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL85545 | 208536 | None | 0 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 479 | 9 | 1 | 7 | 4.9 | CCCCc1nn(C(C)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 1610 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.4 | 7.4 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00075a014 | |||
| 3941 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.4 | 7.4 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00075a014 | |||
| 3961 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.4 | 7.4 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00075a014 | |||
| 3961.0 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.4 | 7.4 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00075a014 | |||
| 590 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.4 | 7.4 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00075a014 | |||
| CHEMBL191 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.4 | 7.4 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00075a014 | |||
| DB00678 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.4 | 7.4 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00075a014 | |||
| 5335625 | 108749 | None | 7 | Human | Functional | pIC50 | = | 5.4 | 5.4 | - | 1 | ChEMBL | 293 | 3 | 1 | 3 | 3.2 | O=C(N/N=C/c1ccccn1)c1ccc(Cl)c(Cl)c1 | nan | |||
| CHEMBL3208035 | 108749 | None | 7 | Human | Functional | pIC50 | = | 5.4 | 5.4 | - | 1 | ChEMBL | 293 | 3 | 1 | 3 | 3.2 | O=C(N/N=C/c1ccccn1)c1ccc(Cl)c(Cl)c1 | nan | |||
| 46495021 | 107884 | None | 4 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 1 | 2 | ChEMBL | 315 | 5 | 1 | 7 | 1.7 | O=C(N/N=C/c1ccccn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 | nan | |||
| CHEMBL3192235 | 107884 | None | 4 | Human | Functional | pIC50 | = | 5.4 | 5.4 | 1 | 2 | ChEMBL | 315 | 5 | 1 | 7 | 1.7 | O=C(N/N=C/c1ccccn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 | nan | |||
| 14971636 | 114877 | None | 0 | Rabbit | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 506 | 10 | 1 | 7 | 6.0 | CCCCc1nc(-c2ccccc2)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL334083 | 114877 | None | 0 | Rabbit | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 506 | 10 | 1 | 7 | 6.0 | CCCCc1nc(-c2ccccc2)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 44292040 | 101189 | None | 0 | Bovine | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 601 | 9 | 1 | 9 | 6.9 | CCCCc1nc2ccc(C3CC(c4cc(C)cs4)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL295279 | 101189 | None | 0 | Bovine | Functional | pIC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 601 | 9 | 1 | 9 | 6.9 | CCCCc1nc2ccc(C3CC(c4cc(C)cs4)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 5759185 | 38688 | None | 3 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -5 | 5 | ChEMBL | 300 | 4 | 0 | 6 | 2.8 | CC(C)(C)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)n1cncn1 | nan | |||
| CHEMBL1465592 | 38688 | None | 3 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -5 | 5 | ChEMBL | 300 | 4 | 0 | 6 | 2.8 | CC(C)(C)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)n1cncn1 | nan | |||
| 44634573 | 2748 | None | 1 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -489 | 15 | ChEMBL | 465 | 6 | 0 | 2 | 5.0 | Cc1n(C/C=C/c2ccccc2)c2[n+](c1P(=S)(c1ccccc1)c1ccccc1)cccc2 | 10.6019/CHEMBL5442687 | |||
| 9168 | 2748 | None | 1 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -489 | 15 | ChEMBL | 465 | 6 | 0 | 2 | 5.0 | Cc1n(C/C=C/c2ccccc2)c2[n+](c1P(=S)(c1ccccc1)c1ccccc1)cccc2 | 10.6019/CHEMBL5442687 | |||
| CHEMBL1474387 | 2748 | None | 1 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -489 | 15 | ChEMBL | 465 | 6 | 0 | 2 | 5.0 | Cc1n(C/C=C/c2ccccc2)c2[n+](c1P(=S)(c1ccccc1)c1ccccc1)cccc2 | 10.6019/CHEMBL5442687 | |||
| CHEMBL1622930 | 2748 | None | 1 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -489 | 15 | ChEMBL | 465 | 6 | 0 | 2 | 5.0 | Cc1n(C/C=C/c2ccccc2)c2[n+](c1P(=S)(c1ccccc1)c1ccccc1)cccc2 | 10.6019/CHEMBL5442687 | |||
| 5217512 | 42414 | None | 2 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -1 | 2 | ChEMBL | 278 | 3 | 3 | 5 | 2.8 | NNc1nc(-c2ccccc2)cc(-c2ccccc2O)n1 | nan | |||
| CHEMBL1498886 | 42414 | None | 2 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -1 | 2 | ChEMBL | 278 | 3 | 3 | 5 | 2.8 | NNc1nc(-c2ccccc2)cc(-c2ccccc2O)n1 | nan | |||
| 10371403 | 66943 | None | 18 | Rabbit | Functional | pIC50 | = | 5.4 | 5.4 | - | 1 | ChEMBL | 601 | 13 | 1 | 10 | 5.8 | CCCCc1nc(Cl)c(COC(=O)c2cccc(CO[N+](=O)[O-])c2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm049681p | |||
| CHEMBL186572 | 66943 | None | 18 | Rabbit | Functional | pIC50 | = | 5.4 | 5.4 | - | 1 | ChEMBL | 601 | 13 | 1 | 10 | 5.8 | CCCCc1nc(Cl)c(COC(=O)c2cccc(CO[N+](=O)[O-])c2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm049681p | |||
| 14956743 | 164200 | None | 0 | Rabbit | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 496 | 9 | 1 | 9 | 4.2 | CCCCc1nn(-c2cccc([N+](=O)[O-])c2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL420970 | 164200 | None | 0 | Rabbit | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 496 | 9 | 1 | 9 | 4.2 | CCCCc1nn(-c2cccc([N+](=O)[O-])c2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 56991879 | 70893 | None | 0 | Rabbit | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 528 | 13 | 1 | 8 | 4.9 | CCCCc1nc(CCC)c(CCC(=O)OCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951121 | 70893 | None | 0 | Rabbit | Functional | pIC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | 528 | 13 | 1 | 8 | 4.9 | CCCCc1nc(CCC)c(CCC(=O)OCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 1692 | 2154 | None | 25 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -144 | 18 | ChEMBL | 411 | 6 | 2 | 4 | 5.5 | CCc1ccc(cc1)OCc1ccccc1C(=O)Nc1ccc2c(c1)c(N)cc(n2)C | 10.6019/CHEMBL5442687 | |||
| 5311340 | 2154 | None | 25 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -144 | 18 | ChEMBL | 411 | 6 | 2 | 4 | 5.5 | CCc1ccc(cc1)OCc1ccccc1C(=O)Nc1ccc2c(c1)c(N)cc(n2)C | 10.6019/CHEMBL5442687 | |||
| CHEMBL140979 | 2154 | None | 25 | Human | Functional | pIC50 | = | 5.4 | 5.4 | -144 | 18 | ChEMBL | 411 | 6 | 2 | 4 | 5.5 | CCc1ccc(cc1)OCc1ccccc1C(=O)Nc1ccc2c(c1)c(N)cc(n2)C | 10.6019/CHEMBL5442687 | |||
| 9618012 | 77947 | None | 4 | Human | Functional | pIC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 289 | 3 | 1 | 3 | 3.4 | C/C(=N\NC(=O)c1cccc2ccccc12)c1ccccn1 | nan | |||
| CHEMBL2094484 | 77947 | None | 4 | Human | Functional | pIC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 289 | 3 | 1 | 3 | 3.4 | C/C(=N\NC(=O)c1cccc2ccccc12)c1ccccn1 | nan | |||
| 1475345 | 29244 | None | 9 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 3 | ChEMBL | 418 | 6 | 1 | 4 | 4.3 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccccc2Cl)cn1 | nan | |||
| CHEMBL1382438 | 29244 | None | 9 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -1 | 3 | ChEMBL | 418 | 6 | 1 | 4 | 4.3 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccccc2Cl)cn1 | nan | |||
| 18666499 | 175723 | None | 0 | Bovine | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 591 | 9 | 2 | 9 | 4.7 | CCCCc1nc2ccc([C@]3(C(=O)O)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL45805 | 175723 | None | 0 | Bovine | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 591 | 9 | 2 | 9 | 4.7 | CCCCc1nc2ccc([C@]3(C(=O)O)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 11743704 | 115562 | None | 0 | Rabbit | Functional | pIC50 | = | 5.3 | 5.3 | 3 | 2 | ChEMBL | 435 | 5 | 0 | 5 | 5.6 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(C#N)c1ccc(C)cc1 | 10.1021/jm00078a013 | |||
| CHEMBL335179 | 115562 | None | 0 | Rabbit | Functional | pIC50 | = | 5.3 | 5.3 | 3 | 2 | ChEMBL | 435 | 5 | 0 | 5 | 5.6 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(C#N)c1ccc(C)cc1 | 10.1021/jm00078a013 | |||
| 44292038 | 182641 | None | 0 | Bovine | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 575 | 8 | 1 | 8 | 6.0 | CCCCc1nc2ccc([C@]3(C)C[C@H]4CCCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL47873 | 182641 | None | 0 | Bovine | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 575 | 8 | 1 | 8 | 6.0 | CCCCc1nc2ccc([C@]3(C)C[C@H]4CCCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 5218417 | 24822 | None | 4 | Human | Functional | pIC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 285 | 3 | 0 | 2 | 3.9 | CC1CCCN(CC(=O)c2ccc(Cl)c(Cl)c2)C1 | nan | |||
| CHEMBL1344824 | 24822 | None | 4 | Human | Functional | pIC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 285 | 3 | 0 | 2 | 3.9 | CC1CCCN(CC(=O)c2ccc(Cl)c(Cl)c2)C1 | nan | |||
| 10411653 | 24432 | None | 0 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | 208 | 2 | ChEMBL | 454 | 5 | 1 | 5 | 4.6 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(=O)c1ccccc1C(=O)O | 10.1021/jm00078a013 | |||
| CHEMBL134151 | 24432 | None | 0 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | 208 | 2 | ChEMBL | 454 | 5 | 1 | 5 | 4.6 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(=O)c1ccccc1C(=O)O | 10.1021/jm00078a013 | |||
| 9893924 | 4750 | None | 24 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -169 | 9 | ChEMBL | 554 | 11 | 3 | 4 | 5.4 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.6019/CHEMBL5442687 | |||
| CHEMBL103769 | 4750 | None | 24 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -169 | 9 | ChEMBL | 554 | 11 | 3 | 4 | 5.4 | S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 | 10.6019/CHEMBL5442687 | |||
| 14956799 | 106955 | None | 0 | Rabbit | Functional | pIC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 509 | 10 | 2 | 8 | 4.0 | CCCCc1nn(Cc2ccccc2C(=O)O)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL314590 | 106955 | None | 0 | Rabbit | Functional | pIC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 509 | 10 | 2 | 8 | 4.0 | CCCCc1nn(Cc2ccccc2C(=O)O)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 6873617 | 72441 | None | 5 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -3 | 2 | ChEMBL | 386 | 4 | 1 | 4 | 4.7 | O=C(N/N=C/c1ccccn1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 | nan | |||
| CHEMBL1987579 | 72441 | None | 5 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -3 | 2 | ChEMBL | 386 | 4 | 1 | 4 | 4.7 | O=C(N/N=C/c1ccccn1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 | nan | |||
| 10367704 | 22350 | None | 0 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | 25 | 2 | ChEMBL | 476 | 5 | 1 | 8 | 4.5 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2C(=O)c2ccccc2-c2nn[nH]n2)c1 | 10.1021/jm00078a013 | |||
| CHEMBL132408 | 22350 | None | 0 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | 25 | 2 | ChEMBL | 476 | 5 | 1 | 8 | 4.5 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2C(=O)c2ccccc2-c2nn[nH]n2)c1 | 10.1021/jm00078a013 | |||
| 131654 | 208861 | None | 10 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | 1 | 2 | ChEMBL | 431 | 10 | 1 | 7 | 4.1 | CCCCc1nn(CCCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87778 | 208861 | None | 10 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | 1 | 2 | ChEMBL | 431 | 10 | 1 | 7 | 4.1 | CCCCc1nn(CCCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956748 | 208431 | None | 0 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 481 | 9 | 1 | 8 | 4.3 | CCCCc1nn(-c2ccc(OC)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL84627 | 208431 | None | 0 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 481 | 9 | 1 | 8 | 4.3 | CCCCc1nn(-c2ccc(OC)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 9887844 | 163295 | None | 4 | Guinea pig | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 411 | 6 | 1 | 5 | 4.9 | CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2c(n1)CCCC2 | 10.1021/jm9504722 | |||
| CHEMBL418226 | 163295 | None | 4 | Guinea pig | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 411 | 6 | 1 | 5 | 4.9 | CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2c(n1)CCCC2 | 10.1021/jm9504722 | |||
| 54393565 | 70911 | None | 0 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 541 | 10 | 1 | 8 | 3.6 | CCCCc1nc(C)c(CCC(=O)N2CCOCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951139 | 70911 | None | 0 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 541 | 10 | 1 | 8 | 3.6 | CCCCc1nc(C)c(CCC(=O)N2CCOCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 10004112 | 25538 | None | 0 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | 93 | 2 | ChEMBL | 454 | 9 | 1 | 5 | 5.5 | C=CCN(c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1)C(C(=O)O)c1ccccc1 | 10.1021/jm00078a014 | |||
| CHEMBL135089 | 25538 | None | 0 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | 93 | 2 | ChEMBL | 454 | 9 | 1 | 5 | 5.5 | C=CCN(c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1)C(C(=O)O)c1ccccc1 | 10.1021/jm00078a014 | |||
| 10344052 | 116671 | None | 0 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | 107 | 2 | ChEMBL | 456 | 9 | 1 | 5 | 5.7 | CCCN(c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1)C(C(=O)O)c1ccccc1 | 10.1021/jm00078a014 | |||
| CHEMBL336738 | 116671 | None | 0 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | 107 | 2 | ChEMBL | 456 | 9 | 1 | 5 | 5.7 | CCCN(c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1)C(C(=O)O)c1ccccc1 | 10.1021/jm00078a014 | |||
| 2583 | 3776 | None | 69 | Human | Functional | pIC50 | = | 8.3 | 8.3 | -1 | 16 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.6019/CHEMBL5442687 | |||
| 592 | 3776 | None | 69 | Human | Functional | pIC50 | = | 8.3 | 8.3 | -1 | 16 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.6019/CHEMBL5442687 | |||
| 65999 | 3776 | None | 69 | Human | Functional | pIC50 | = | 8.3 | 8.3 | -1 | 16 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.6019/CHEMBL5442687 | |||
| 65999.0 | 3776 | None | 69 | Human | Functional | pIC50 | = | 8.3 | 8.3 | -1 | 16 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.6019/CHEMBL5442687 | |||
| CHEMBL1017 | 3776 | None | 69 | Human | Functional | pIC50 | = | 8.3 | 8.3 | -1 | 16 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.6019/CHEMBL5442687 | |||
| DB00966 | 3776 | None | 69 | Human | Functional | pIC50 | = | 8.3 | 8.3 | -1 | 16 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.6019/CHEMBL5442687 | |||
| 142534191 | 166879 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 559 | 9 | 1 | 8 | 4.2 | CCCCc1nc(C)c(CC(=S)N2CCOCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| CHEMBL4284022 | 166879 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 559 | 9 | 1 | 8 | 4.2 | CCCCc1nc(C)c(CC(=S)N2CCOCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| 14956758 | 106587 | None | 0 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 509 | 9 | 1 | 9 | 4.1 | CCCCc1nn(-c2ccccc2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL314042 | 106587 | None | 0 | Rabbit | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 509 | 9 | 1 | 9 | 4.1 | CCCCc1nn(-c2ccccc2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956769 | 107172 | None | 0 | Rabbit | Functional | pIC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 499 | 9 | 1 | 7 | 5.3 | CCCCCc1nn(-c2ccccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL316052 | 107172 | None | 0 | Rabbit | Functional | pIC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 499 | 9 | 1 | 7 | 5.3 | CCCCCc1nn(-c2ccccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956762 | 98884 | None | 0 | Rabbit | Functional | pIC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 519 | 8 | 1 | 7 | 5.6 | CCCCc1nn(-c2c(Cl)cccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL278741 | 98884 | None | 0 | Rabbit | Functional | pIC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 519 | 8 | 1 | 7 | 5.6 | CCCCc1nn(-c2c(Cl)cccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 54479908 | 70913 | None | 0 | Rabbit | Functional | pIC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 525 | 10 | 1 | 7 | 4.3 | CCCCc1nc(C)c(CCC(=O)N2CCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951140 | 70913 | None | 0 | Rabbit | Functional | pIC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 525 | 10 | 1 | 7 | 4.3 | CCCCc1nc(C)c(CCC(=O)N2CCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 14956759 | 208560 | None | 0 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 495 | 9 | 2 | 8 | 4.0 | CCCCc1nn(-c2ccccc2C(=O)O)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL85704 | 208560 | None | 0 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 495 | 9 | 2 | 8 | 4.0 | CCCCc1nn(-c2ccccc2C(=O)O)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956800 | 208608 | None | 0 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 509 | 10 | 2 | 8 | 4.0 | CCCCc1nn(C(C(=O)O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL86143 | 208608 | None | 0 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 509 | 10 | 2 | 8 | 4.0 | CCCCc1nn(C(C(=O)O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 1610 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00069a015 | |||
| 3941 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00069a015 | |||
| 3961 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00069a015 | |||
| 3961.0 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00069a015 | |||
| 590 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00069a015 | |||
| CHEMBL191 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00069a015 | |||
| DB00678 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00069a015 | |||
| 14956805 | 208802 | None | 0 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 515 | 10 | 1 | 8 | 5.0 | CCCCc1nn(COc2ccc(Cl)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87354 | 208802 | None | 0 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 515 | 10 | 1 | 8 | 5.0 | CCCCc1nn(COc2ccc(Cl)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 9893748 | 182630 | None | 0 | Bovine | Functional | pIC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 549 | 9 | 2 | 9 | 4.5 | CCCCc1nc2ccc(C3CC(C(=O)O)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL47872 | 182630 | None | 0 | Bovine | Functional | pIC50 | = | 6.3 | 6.3 | - | 1 | ChEMBL | 549 | 9 | 2 | 9 | 4.5 | CCCCc1nc2ccc(C3CC(C(=O)O)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 742856 | 53785 | None | 12 | Human | Functional | pIC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 279 | 4 | 1 | 2 | 4.3 | O=C(CNc1cccc(Cl)c1)c1ccc(Cl)cc1 | nan | |||
| CHEMBL1603871 | 53785 | None | 12 | Human | Functional | pIC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 279 | 4 | 1 | 2 | 4.3 | O=C(CNc1cccc(Cl)c1)c1ccc(Cl)cc1 | nan | |||
| 14956789 | 208897 | None | 0 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 489 | 10 | 1 | 9 | 3.7 | CCCCc1nn(C(C(=O)OC)C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL88002 | 208897 | None | 0 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 489 | 10 | 1 | 9 | 3.7 | CCCCc1nn(C(C(=O)OC)C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 2811329 | 28660 | None | 2 | Human | Functional | pIC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 279 | 3 | 2 | 4 | 3.0 | Cc1ccc(NNC(=O)c2c(C)noc2C)cc1Cl | nan | |||
| CHEMBL1377329 | 28660 | None | 2 | Human | Functional | pIC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 279 | 3 | 2 | 4 | 3.0 | Cc1ccc(NNC(=O)c2c(C)noc2C)cc1Cl | nan | |||
| 4328866 | 19500 | None | 2 | Human | Functional | pIC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 247 | 3 | 0 | 4 | 1.2 | CC(C)OC(=O)CN1C(=O)C(=O)c2ccccc21 | nan | |||
| CHEMBL1299266 | 19500 | None | 2 | Human | Functional | pIC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 247 | 3 | 0 | 4 | 1.2 | CC(C)OC(=O)CN1C(=O)C(=O)c2ccccc21 | nan | |||
| 5770964 | 26463 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 1 | 2 | ChEMBL | 444 | 9 | 2 | 6 | 2.6 | COc1ccc(C(=O)/C=C/C(=O)N(CC(=O)NC2CCCCC2)CC2CCCO2)c(O)c1 | nan | |||
| CHEMBL1359902 | 26463 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | 1 | 2 | ChEMBL | 444 | 9 | 2 | 6 | 2.6 | COc1ccc(C(=O)/C=C/C(=O)N(CC(=O)NC2CCCCC2)CC2CCCO2)c(O)c1 | nan | |||
| 2744279 | 26667 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 351 | 5 | 0 | 10 | 2.5 | CCn1nc(C)cc1-c1nnc(Sc2ncc([N+](=O)[O-])s2)n1C | nan | |||
| CHEMBL1361740 | 26667 | None | 0 | Human | Functional | pIC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 351 | 5 | 0 | 10 | 2.5 | CCn1nc(C)cc1-c1nnc(Sc2ncc([N+](=O)[O-])s2)n1C | nan | |||
| 4068403 | 20729 | None | 9 | Human | Functional | pIC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 360 | 4 | 1 | 6 | 4.0 | O=C(Nc1nc(-c2ccccn2)cs1)c1cc(Cl)ccc1[N+](=O)[O-] | nan | |||
| CHEMBL1309127 | 20729 | None | 9 | Human | Functional | pIC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 360 | 4 | 1 | 6 | 4.0 | O=C(Nc1nc(-c2ccccn2)cs1)c1cc(Cl)ccc1[N+](=O)[O-] | nan | |||
| 1610 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00078a013 | |||
| 1610 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00078a014 | |||
| 3941 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00078a013 | |||
| 3941 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00078a014 | |||
| 3961 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00078a013 | |||
| 3961 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00078a014 | |||
| 3961.0 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00078a013 | |||
| 3961.0 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00078a014 | |||
| 590 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00078a013 | |||
| 590 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00078a014 | |||
| CHEMBL191 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00078a013 | |||
| CHEMBL191 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00078a014 | |||
| DB00678 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00078a013 | |||
| DB00678 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00078a014 | |||
| 788411 | 27378 | None | 8 | Human | Functional | pIC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 273 | 4 | 1 | 2 | 4.3 | Cc1ccc(C(=O)CNc2ccc(C)c(Cl)c2)cc1 | nan | |||
| CHEMBL1367827 | 27378 | None | 8 | Human | Functional | pIC50 | = | 5.3 | 5.3 | - | 1 | ChEMBL | 273 | 4 | 1 | 2 | 4.3 | Cc1ccc(C(=O)CNc2ccc(C)c(Cl)c2)cc1 | nan | |||
| 14971674 | 209758 | None | 0 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 540 | 10 | 1 | 7 | 6.5 | CCCCc1nn(-c2cccc(Cl)c2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL93289 | 209758 | None | 0 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 540 | 10 | 1 | 7 | 6.5 | CCCCc1nn(-c2cccc(Cl)c2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 15233933 | 101219 | None | 0 | Bovine | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 561 | 8 | 1 | 8 | 5.6 | CCCCc1nc2ccc([C@@]3(C)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL295532 | 101219 | None | 0 | Bovine | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 561 | 8 | 1 | 8 | 5.6 | CCCCc1nc2ccc([C@@]3(C)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 14971693 | 112974 | None | 0 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 560 | 9 | 1 | 7 | 6.5 | CCCc1nn(-c2ccccc2C(F)(F)F)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL331063 | 112974 | None | 0 | Rabbit | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 560 | 9 | 1 | 7 | 6.5 | CCCc1nn(-c2ccccc2C(F)(F)F)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 18655851 | 101355 | None | 0 | Bovine | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 623 | 9 | 1 | 8 | 6.7 | CCCCc1nc2ccc([C@]3(c4ccccc4)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL296519 | 101355 | None | 0 | Bovine | Functional | pIC50 | = | 7.3 | 7.3 | - | 1 | ChEMBL | 623 | 9 | 1 | 8 | 6.7 | CCCCc1nc2ccc([C@]3(c4ccccc4)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 100520 | 32733 | None | 2 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -4 | 4 | ChEMBL | 240 | 3 | 0 | 7 | 2.0 | O=[N+]([O-])c1cnc(Sc2ccncn2)s1 | nan | |||
| CHEMBL1413680 | 32733 | None | 2 | Human | Functional | pIC50 | = | 5.3 | 5.3 | -4 | 4 | ChEMBL | 240 | 3 | 0 | 7 | 2.0 | O=[N+]([O-])c1cnc(Sc2ccncn2)s1 | nan | |||
| 788410 | 21174 | None | 10 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 259 | 4 | 1 | 2 | 3.9 | Cc1ccc(NCC(=O)c2ccccc2)cc1Cl | nan | |||
| CHEMBL1312651 | 21174 | None | 10 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 259 | 4 | 1 | 2 | 3.9 | Cc1ccc(NCC(=O)c2ccccc2)cc1Cl | nan | |||
| 44292072 | 101354 | None | 0 | Bovine | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 618 | 9 | 1 | 9 | 4.7 | CCCCc1nc2ccc([C@]3(C(=O)N(C)C)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL296518 | 101354 | None | 0 | Bovine | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 618 | 9 | 1 | 9 | 4.7 | CCCCc1nc2ccc([C@]3(C(=O)N(C)C)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 14956773 | 208553 | None | 0 | Rabbit | Functional | pIC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 504 | 9 | 2 | 6 | 5.0 | CCCCc1nn(-c2ccccc2Cl)c(=O)n1Cc1ccc(NC(=O)c2ccccc2C(=O)O)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL85659 | 208553 | None | 0 | Rabbit | Functional | pIC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 504 | 9 | 2 | 6 | 5.0 | CCCCc1nn(-c2ccccc2Cl)c(=O)n1Cc1ccc(NC(=O)c2ccccc2C(=O)O)cc1 | 10.1021/jm00069a015 | |||
| 44292162 | 172394 | None | 0 | Bovine | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 575 | 9 | 1 | 8 | 6.0 | CCCCc1nc2ccc([C@@]3(CC)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL44749 | 172394 | None | 0 | Bovine | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 575 | 9 | 1 | 8 | 6.0 | CCCCc1nc2ccc([C@@]3(CC)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 16446380 | 31630 | None | 8 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 447 | 7 | 1 | 7 | 3.4 | COc1ccc(OC)c(NC(=O)c2nc(S(=O)(=O)Cc3ccccc3)ncc2Cl)c1 | nan | |||
| CHEMBL1404578 | 31630 | None | 8 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 447 | 7 | 1 | 7 | 3.4 | COc1ccc(OC)c(NC(=O)c2nc(S(=O)(=O)Cc3ccccc3)ncc2Cl)c1 | nan | |||
| 718402 | 33896 | None | 9 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 300 | 5 | 0 | 6 | 2.6 | COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1cccnc1 | nan | |||
| CHEMBL1423567 | 33896 | None | 9 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 300 | 5 | 0 | 6 | 2.6 | COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1cccnc1 | nan | |||
| 16437205 | 32011 | None | 8 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -5 | 3 | ChEMBL | 486 | 6 | 1 | 7 | 2.7 | CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)cc1 | nan | |||
| CHEMBL1407961 | 32011 | None | 8 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -5 | 3 | ChEMBL | 486 | 6 | 1 | 7 | 2.7 | CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)cc1 | nan | |||
| 6873485 | 107634 | None | 7 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 2 | ChEMBL | 410 | 7 | 1 | 5 | 4.9 | CCCOc1cccc(-c2cc(C(=O)N/N=C/c3ccccn3)c3ccccc3n2)c1 | nan | |||
| CHEMBL3189289 | 107634 | None | 7 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 2 | ChEMBL | 410 | 7 | 1 | 5 | 4.9 | CCCOc1cccc(-c2cc(C(=O)N/N=C/c3ccccn3)c3ccccc3n2)c1 | nan | |||
| 9569064 | 72274 | None | 1 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 363 | 6 | 1 | 4 | 4.0 | C/C(=N\NC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccn1 | nan | |||
| CHEMBL1981898 | 72274 | None | 1 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 363 | 6 | 1 | 4 | 4.0 | C/C(=N\NC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccn1 | nan | |||
| 1481 | 2066 | None | 66 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -2 | 6 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1021/acsmedchemlett.1c00240 | |||
| 3749 | 2066 | None | 66 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -2 | 6 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1021/acsmedchemlett.1c00240 | |||
| 3749.0 | 2066 | None | 66 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -2 | 6 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1021/acsmedchemlett.1c00240 | |||
| 589 | 2066 | None | 66 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -2 | 6 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1021/acsmedchemlett.1c00240 | |||
| 6908 | 2066 | None | 66 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -2 | 6 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1021/acsmedchemlett.1c00240 | |||
| CHEMBL1513 | 2066 | None | 66 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -2 | 6 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1021/acsmedchemlett.1c00240 | |||
| DB01029 | 2066 | None | 66 | Human | Functional | pIC50 | = | 8.2 | 8.2 | -2 | 6 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1021/acsmedchemlett.1c00240 | |||
| 108185 | 1614 | None | 50 | Rabbit | Functional | pIC50 | = | 8.2 | 8.2 | -3 | 5 | ChEMBL | 436 | 8 | 2 | 6 | 4.5 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl | 10.1021/jm00069a015 | |||
| 586 | 1614 | None | 50 | Rabbit | Functional | pIC50 | = | 8.2 | 8.2 | -3 | 5 | ChEMBL | 436 | 8 | 2 | 6 | 4.5 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl | 10.1021/jm00069a015 | |||
| CHEMBL907 | 1614 | None | 50 | Rabbit | Functional | pIC50 | = | 8.2 | 8.2 | -3 | 5 | ChEMBL | 436 | 8 | 2 | 6 | 4.5 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl | 10.1021/jm00069a015 | |||
| 57393229 | 70918 | None | 0 | Rabbit | Functional | pIC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 555 | 9 | 1 | 7 | 5.5 | CCCCc1nc(C)c(CC(=S)N2CCCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951145 | 70918 | None | 0 | Rabbit | Functional | pIC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 555 | 9 | 1 | 7 | 5.5 | CCCCc1nc(C)c(CC(=S)N2CCCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 14956740 | 208266 | None | 0 | Rabbit | Functional | pIC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 481 | 9 | 1 | 8 | 4.3 | CCCCc1nn(-c2ccccc2OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL83248 | 208266 | None | 0 | Rabbit | Functional | pIC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 481 | 9 | 1 | 8 | 4.3 | CCCCc1nn(-c2ccccc2OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14971677 | 111574 | None | 0 | Rabbit | Functional | pIC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 574 | 10 | 1 | 7 | 7.1 | CCCCc1nn(-c2ccc(Cl)cc2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL327837 | 111574 | None | 0 | Rabbit | Functional | pIC50 | = | 8.2 | 8.2 | - | 1 | ChEMBL | 574 | 10 | 1 | 7 | 7.1 | CCCCc1nn(-c2ccc(Cl)cc2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 14956775 | 206439 | None | 0 | Rabbit | Functional | pIC50 | = | 7.2 | 7.2 | -1 | 2 | ChEMBL | 375 | 7 | 2 | 7 | 3.2 | CCCCc1nnc(O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL69508 | 206439 | None | 0 | Rabbit | Functional | pIC50 | = | 7.2 | 7.2 | -1 | 2 | ChEMBL | 375 | 7 | 2 | 7 | 3.2 | CCCCc1nnc(O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956808 | 208889 | None | 0 | Rabbit | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 580 | 13 | 1 | 9 | 4.9 | CCCCc1nn(CCCN(C)C(=O)OCc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87957 | 208889 | None | 0 | Rabbit | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 580 | 13 | 1 | 9 | 4.9 | CCCCc1nn(CCCN(C)C(=O)OCc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 330973 | 49703 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -16 | 4 | ChEMBL | 592 | 4 | 0 | 10 | 3.0 | C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@@H](OC(=O)CC(=O)O[C@H]3[C@@H]4C(=C)C(=O)O[C@@H]4C[C@@H](C)[C@@H]4C=CC(=O)[C@@]34C)[C@H]12 | nan | |||
| CHEMBL1566610 | 49703 | None | 0 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -16 | 4 | ChEMBL | 592 | 4 | 0 | 10 | 3.0 | C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@@H](OC(=O)CC(=O)O[C@H]3[C@@H]4C(=C)C(=O)O[C@@H]4C[C@@H](C)[C@@H]4C=CC(=O)[C@@]34C)[C@H]12 | nan | |||
| 2812572 | 25032 | None | 2 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 274 | 4 | 2 | 2 | 3.7 | CCc1ccc(C(=O)NNc2ccc(Cl)cc2)cc1 | nan | |||
| CHEMBL1346661 | 25032 | None | 2 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 274 | 4 | 2 | 2 | 3.7 | CCc1ccc(C(=O)NNc2ccc(Cl)cc2)cc1 | nan | |||
| 890649 | 53646 | None | 12 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 2 | ChEMBL | 342 | 3 | 0 | 6 | 3.6 | O=S1(=O)C=C(Sc2nnc(-c3ccccc3)o2)c2ccccc21 | nan | |||
| CHEMBL1602759 | 53646 | None | 12 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 2 | ChEMBL | 342 | 3 | 0 | 6 | 3.6 | O=S1(=O)C=C(Sc2nnc(-c3ccccc3)o2)c2ccccc21 | nan | |||
| 44292456 | 101216 | None | 0 | Bovine | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 658 | 9 | 1 | 9 | 5.6 | CCCCc1nc2ccc(C3(C(=O)N4CCCCC4)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL295514 | 101216 | None | 0 | Bovine | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 658 | 9 | 1 | 9 | 5.6 | CCCCc1nc2ccc(C3(C(=O)N4CCCCC4)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 1610 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.2 | 7.2 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmcl.2011.12.116 | |||
| 3941 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.2 | 7.2 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmcl.2011.12.116 | |||
| 3961 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.2 | 7.2 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmcl.2011.12.116 | |||
| 3961.0 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.2 | 7.2 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmcl.2011.12.116 | |||
| 590 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.2 | 7.2 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL191 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.2 | 7.2 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmcl.2011.12.116 | |||
| DB00678 | 2347 | None | 64 | Rabbit | Functional | pIC50 | = | 7.2 | 7.2 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmcl.2011.12.116 | |||
| 16436607 | 24073 | None | 9 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 486 | 6 | 1 | 7 | 2.6 | CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)n1 | nan | |||
| CHEMBL1338304 | 24073 | None | 9 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 486 | 6 | 1 | 7 | 2.6 | CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)n1 | nan | |||
| 9619214 | 108133 | None | 4 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -2 | 3 | ChEMBL | 351 | 5 | 1 | 8 | 2.9 | Cc1cc(N/N=C/c2ccccc2[N+](=O)[O-])nc(-n2nc(C)cc2C)n1 | nan | |||
| CHEMBL3195226 | 108133 | None | 4 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -2 | 3 | ChEMBL | 351 | 5 | 1 | 8 | 2.9 | Cc1cc(N/N=C/c2ccccc2[N+](=O)[O-])nc(-n2nc(C)cc2C)n1 | nan | |||
| 11744592 | 115567 | None | 0 | Rabbit | Functional | pIC50 | = | 6.2 | 6.2 | 33 | 2 | ChEMBL | 452 | 6 | 0 | 6 | 5.4 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2Cc2ccccc2C(=O)OC)c1 | 10.1021/jm00078a013 | |||
| CHEMBL335228 | 115567 | None | 0 | Rabbit | Functional | pIC50 | = | 6.2 | 6.2 | 33 | 2 | ChEMBL | 452 | 6 | 0 | 6 | 5.4 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2Cc2ccccc2C(=O)OC)c1 | 10.1021/jm00078a013 | |||
| 6091989 | 49866 | None | 5 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 337 | 5 | 1 | 5 | 4.1 | COc1cc(/C=C/c2ccc3cccc(O)c3n2)cc(OC)c1OC | nan | |||
| CHEMBL1567899 | 49866 | None | 5 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 337 | 5 | 1 | 5 | 4.1 | COc1cc(/C=C/c2ccc3cccc(O)c3n2)cc(OC)c1OC | nan | |||
| 42611190 | 3156 | None | 14 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -1621 | 21 | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.6019/CHEMBL5442687 | |||
| 5802 | 3156 | None | 14 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -1621 | 21 | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.6019/CHEMBL5442687 | |||
| CHEMBL1800685 | 3156 | None | 14 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -1621 | 21 | ChEMBL | 475 | 4 | 2 | 2 | 7.4 | OC(=O)c1cc2cc(ccc2c(c1)c1ccc(cc1)C1CCNCC1)c1ccc(cc1)C(F)(F)F | 10.6019/CHEMBL5442687 | |||
| 44292070 | 171957 | None | 0 | Bovine | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 589 | 8 | 1 | 8 | 6.4 | CCCCc1nc2ccc([C@]3(C)C[C@H]4CCC(C)(C)N4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL44690 | 171957 | None | 0 | Bovine | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 589 | 8 | 1 | 8 | 6.4 | CCCCc1nc2ccc([C@]3(C)C[C@H]4CCC(C)(C)N4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 44292342 | 177364 | None | 0 | Bovine | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 575 | 8 | 1 | 8 | 6.3 | CCCCc1nc2ccc([C@@H]3C[C@@]4(C)CCCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL46361 | 177364 | None | 0 | Bovine | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 575 | 8 | 1 | 8 | 6.3 | CCCCc1nc2ccc([C@@H]3C[C@@]4(C)CCCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 6883924 | 71715 | None | 4 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 2 | ChEMBL | 315 | 3 | 1 | 4 | 3.7 | O=C(N/N=C/c1ccccn1)c1sc2ccccc2c1Cl | nan | |||
| CHEMBL1964873 | 71715 | None | 4 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 2 | ChEMBL | 315 | 3 | 1 | 4 | 3.7 | O=C(N/N=C/c1ccccn1)c1sc2ccccc2c1Cl | nan | |||
| 10366811 | 24834 | None | 0 | Rabbit | Functional | pIC50 | = | 7.2 | 7.2 | 31 | 2 | ChEMBL | 456 | 8 | 1 | 5 | 5.6 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(CC)C(C(=O)O)c2cccc(C)c2)cc1 | 10.1021/jm00078a014 | |||
| CHEMBL134491 | 24834 | None | 0 | Rabbit | Functional | pIC50 | = | 7.2 | 7.2 | 31 | 2 | ChEMBL | 456 | 8 | 1 | 5 | 5.6 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(CC)C(C(=O)O)c2cccc(C)c2)cc1 | 10.1021/jm00078a014 | |||
| 3117 | 210300 | None | 60 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -9 | 24 | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | |||
| CHEMBL964 | 210300 | None | 60 | Human | Functional | pIC50 | = | 5.2 | 5.2 | -9 | 24 | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | |||
| 780062 | 28955 | None | 4 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 276 | 3 | 2 | 4 | 3.4 | Cc1ccc(-c2cc(-c3ccccc3)nc(NN)n2)cc1 | nan | |||
| CHEMBL1380035 | 28955 | None | 4 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 276 | 3 | 2 | 4 | 3.4 | Cc1ccc(-c2cc(-c3ccccc3)nc(NN)n2)cc1 | nan | |||
| 10048602 | 26058 | None | 0 | Rabbit | Functional | pIC50 | = | 6.2 | 6.2 | 37 | 2 | ChEMBL | 435 | 4 | 0 | 5 | 4.7 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(=O)c1ccccc1C#N | 10.1021/jm00078a013 | |||
| CHEMBL135522 | 26058 | None | 0 | Rabbit | Functional | pIC50 | = | 6.2 | 6.2 | 37 | 2 | ChEMBL | 435 | 4 | 0 | 5 | 4.7 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(=O)c1ccccc1C#N | 10.1021/jm00078a013 | |||
| 9556585 | 155002 | None | 6 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 303 | 3 | 1 | 3 | 2.6 | O=C(N/N=C/c1ccccn1)c1ccc(Br)cc1 | nan | |||
| CHEMBL400912 | 155002 | None | 6 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 303 | 3 | 1 | 3 | 2.6 | O=C(N/N=C/c1ccccn1)c1ccc(Br)cc1 | nan | |||
| 14956800 | 208608 | None | 0 | Rabbit | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 509 | 10 | 2 | 8 | 4.0 | CCCCc1nn(C(C(=O)O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL86143 | 208608 | None | 0 | Rabbit | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 509 | 10 | 2 | 8 | 4.0 | CCCCc1nn(C(C(=O)O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956810 | 208617 | None | 0 | Rabbit | Functional | pIC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 566 | 10 | 1 | 8 | 5.9 | CCCCc1nn(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL86232 | 208617 | None | 0 | Rabbit | Functional | pIC50 | = | 6.2 | 6.2 | - | 1 | ChEMBL | 566 | 10 | 1 | 8 | 5.9 | CCCCc1nn(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 135449568 | 41676 | None | 3 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 2 | ChEMBL | 286 | 4 | 2 | 7 | 2.5 | COCc1cc(O)nc(Nc2nc3ccc(C)cc3o2)n1 | nan | |||
| CHEMBL1492017 | 41676 | None | 3 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 2 | ChEMBL | 286 | 4 | 2 | 7 | 2.5 | COCc1cc(O)nc(Nc2nc3ccc(C)cc3o2)n1 | nan | |||
| 44292428 | 101148 | None | 0 | Bovine | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 644 | 9 | 1 | 9 | 5.3 | CCCCc1nc2ccc(C3(C(=O)N4CCCC4)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL294992 | 101148 | None | 0 | Bovine | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 644 | 9 | 1 | 9 | 5.3 | CCCCc1nc2ccc(C3(C(=O)N4CCCC4)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 44291956 | 171377 | None | 0 | Bovine | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 619 | 10 | 1 | 10 | 5.3 | CCCCc1nc2ccc([C@H]3ON4CCCC4C3C(=O)OCC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL44605 | 171377 | None | 0 | Bovine | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 619 | 10 | 1 | 10 | 5.3 | CCCCc1nc2ccc([C@H]3ON4CCCC4C3C(=O)OCC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 14956746 | 208652 | None | 0 | Rabbit | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 485 | 8 | 1 | 7 | 4.9 | CCCCc1nn(-c2ccc(Cl)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL86440 | 208652 | None | 0 | Rabbit | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 485 | 8 | 1 | 7 | 4.9 | CCCCc1nn(-c2ccc(Cl)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 379338 | 16896 | None | 22 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 288 | 2 | 0 | 4 | 3.4 | COc1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1 | nan | |||
| CHEMBL125044 | 16896 | None | 22 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 288 | 2 | 0 | 4 | 3.4 | COc1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1 | nan | |||
| 14956807 | 106180 | None | 0 | Rabbit | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 566 | 12 | 1 | 9 | 4.9 | CCCCc1nn(CCCOC(=O)N(C)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL313435 | 106180 | None | 0 | Rabbit | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 566 | 12 | 1 | 9 | 4.9 | CCCCc1nn(CCCOC(=O)N(C)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956755 | 106205 | None | 0 | Rabbit | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 469 | 8 | 1 | 7 | 4.4 | CCCCc1nn(-c2ccccc2F)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL313579 | 106205 | None | 0 | Rabbit | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 469 | 8 | 1 | 7 | 4.4 | CCCCc1nn(-c2ccccc2F)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 10202093 | 208893 | None | 0 | Rabbit | Functional | pIC50 | = | 8.1 | 8.1 | 2 | 2 | ChEMBL | 417 | 8 | 1 | 7 | 3.9 | CCCCc1nn(C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87985 | 208893 | None | 0 | Rabbit | Functional | pIC50 | = | 8.1 | 8.1 | 2 | 2 | ChEMBL | 417 | 8 | 1 | 7 | 3.9 | CCCCc1nn(C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 145987183 | 167328 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 597 | 9 | 1 | 7 | 6.1 | CCCCc1nc(C)c(CC(=S)N2CC[C@@H]3CCCC[C@H]32)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| CHEMBL4292297 | 167328 | None | 0 | Human | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 597 | 9 | 1 | 7 | 6.1 | CCCCc1nc(C)c(CC(=S)N2CC[C@@H]3CCCC[C@H]32)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 | 10.1016/j.bmcl.2018.08.036 | |||
| 44291955 | 96679 | None | 0 | Bovine | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 589 | 8 | 1 | 8 | 6.4 | CCCCc1nc2ccc([C@@]3(C)C[C@H]4CCC(C)(C)N4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL263471 | 96679 | None | 0 | Bovine | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 589 | 8 | 1 | 8 | 6.4 | CCCCc1nc2ccc([C@@]3(C)C[C@H]4CCC(C)(C)N4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 18942289 | 101385 | None | 0 | Bovine | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 595 | 9 | 1 | 8 | 6.8 | CCCCc1nc2ccc(C3CC(c4ccc(C)cc4)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL296719 | 101385 | None | 0 | Bovine | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 595 | 9 | 1 | 8 | 6.8 | CCCCc1nc2ccc(C3CC(c4ccc(C)cc4)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 10003482 | 165838 | None | 0 | Rabbit | Functional | pIC50 | = | 7.2 | 7.2 | 158 | 2 | ChEMBL | 442 | 7 | 1 | 5 | 5.2 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(C)C(C(=O)O)c2ccccc2)c(C)c1 | 10.1021/jm00078a014 | |||
| CHEMBL424643 | 165838 | None | 0 | Rabbit | Functional | pIC50 | = | 7.2 | 7.2 | 158 | 2 | ChEMBL | 442 | 7 | 1 | 5 | 5.2 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(C)C(C(=O)O)c2ccccc2)c(C)c1 | 10.1021/jm00078a014 | |||
| 14956776 | 106024 | None | 0 | Rabbit | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 389 | 7 | 1 | 7 | 2.8 | CCCCc1nn(C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL313017 | 106024 | None | 0 | Rabbit | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 389 | 7 | 1 | 7 | 2.8 | CCCCc1nn(C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956790 | 171453 | None | 0 | Rabbit | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 475 | 10 | 2 | 8 | 3.6 | CCCCc1nn(C(C(=O)O)C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL446152 | 171453 | None | 0 | Rabbit | Functional | pIC50 | = | 7.2 | 7.2 | - | 1 | ChEMBL | 475 | 10 | 2 | 8 | 3.6 | CCCCc1nn(C(C(=O)O)C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 851388 | 55242 | None | 7 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 229 | 4 | 1 | 2 | 3.1 | O=C(CNc1ccc(F)cc1)c1ccccc1 | nan | |||
| CHEMBL1328306 | 55242 | None | 7 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 229 | 4 | 1 | 2 | 3.1 | O=C(CNc1ccc(F)cc1)c1ccccc1 | nan | |||
| CHEMBL1617841 | 55242 | None | 7 | Human | Functional | pIC50 | = | 5.2 | 5.2 | - | 1 | ChEMBL | 229 | 4 | 1 | 2 | 3.1 | O=C(CNc1ccc(F)cc1)c1ccccc1 | nan | |||
| 1728272 | 44849 | None | 7 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 2 | ChEMBL | 309 | 5 | 3 | 4 | 1.5 | CCCOc1ccc(C(=O)NNC(=S)NC(=O)CC)cc1 | nan | |||
| CHEMBL1522211 | 44849 | None | 7 | Human | Functional | pIC50 | = | 5.2 | 5.2 | 1 | 2 | ChEMBL | 309 | 5 | 3 | 4 | 1.5 | CCCOc1ccc(C(=O)NNC(=S)NC(=O)CC)cc1 | nan | |||
| 135411933 | 41230 | None | 14 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 300 | 1 | 1 | 2 | 3.5 | O=C1Nc2ccccc2C1=Nc1ccc(Br)cc1 | nan | |||
| CHEMBL1488802 | 41230 | None | 14 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 300 | 1 | 1 | 2 | 3.5 | O=C1Nc2ccccc2C1=Nc1ccc(Br)cc1 | nan | |||
| 2796987 | 23381 | None | 2 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 288 | 5 | 2 | 3 | 2.7 | NC(=O)c1ccccc1NCC(=O)c1ccc(Cl)cc1 | nan | |||
| CHEMBL1332717 | 23381 | None | 2 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 288 | 5 | 2 | 3 | 2.7 | NC(=O)c1ccccc1NCC(=O)c1ccc(Cl)cc1 | nan | |||
| 379337 | 164302 | None | 22 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 258 | 1 | 0 | 3 | 3.4 | O=C1c2ccccc2-c2nnc(-c3ccccc3)cc21 | nan | |||
| CHEMBL421088 | 164302 | None | 22 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 258 | 1 | 0 | 3 | 3.4 | O=C1c2ccccc2-c2nnc(-c3ccccc3)cc21 | nan | |||
| 788612 | 52342 | None | 6 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 303 | 4 | 1 | 2 | 4.1 | Cc1ccc(C(=O)CNc2ccc(Br)cc2)cc1 | nan | |||
| CHEMBL1589540 | 52342 | None | 6 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 303 | 4 | 1 | 2 | 4.1 | Cc1ccc(C(=O)CNc2ccc(Br)cc2)cc1 | nan | |||
| 583493 | 42748 | None | 4 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 255 | 5 | 2 | 3 | 2.7 | O=C(CNc1ccccc1C(=O)O)c1ccccc1 | nan | |||
| CHEMBL1501792 | 42748 | None | 4 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 255 | 5 | 2 | 3 | 2.7 | O=C(CNc1ccccc1C(=O)O)c1ccccc1 | nan | |||
| 1593681 | 30373 | None | 6 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 423 | 9 | 2 | 8 | 1.1 | O=C(CNC(=O)c1ccco1)NCC(=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 | nan | |||
| CHEMBL1391919 | 30373 | None | 6 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 423 | 9 | 2 | 8 | 1.1 | O=C(CNC(=O)c1ccco1)NCC(=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 | nan | |||
| 10258828 | 14665 | None | 0 | Rabbit | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 498 | 9 | 1 | 7 | 5.0 | CCCc1nn(CC(F)(F)F)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL120549 | 14665 | None | 0 | Rabbit | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 498 | 9 | 1 | 7 | 5.0 | CCCc1nn(CC(F)(F)F)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 14971696 | 113491 | None | 0 | Rabbit | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 572 | 9 | 1 | 7 | 6.7 | CCOC(=O)c1c(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(CC2CC2)nn1-c1c(Cl)cccc1Cl | 10.1021/jm00075a014 | |||
| CHEMBL331886 | 113491 | None | 0 | Rabbit | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 572 | 9 | 1 | 7 | 6.7 | CCOC(=O)c1c(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(CC2CC2)nn1-c1c(Cl)cccc1Cl | 10.1021/jm00075a014 | |||
| 14956782 | 208863 | None | 0 | Rabbit | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 457 | 8 | 1 | 7 | 3.8 | CCCCc1nn(CC(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87780 | 208863 | None | 0 | Rabbit | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 457 | 8 | 1 | 7 | 3.8 | CCCCc1nn(CC(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 44341650 | 169990 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -2 | 3 | ChEMBL | 406 | 7 | 2 | 3 | 4.8 | CCCCC1NC(=O)C2(CCCC2)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1021/acsmedchemlett.1c00240 | |||
| CHEMBL444060 | 169990 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -2 | 3 | ChEMBL | 406 | 7 | 2 | 3 | 4.8 | CCCCC1NC(=O)C2(CCCC2)N1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1021/acsmedchemlett.1c00240 | |||
| 135400371 | 53316 | None | 14 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 314 | 1 | 1 | 2 | 3.8 | Cc1ccc(N=C2C(=O)Nc3ccc(Br)cc32)cc1 | nan | |||
| CHEMBL1599499 | 53316 | None | 14 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 314 | 1 | 1 | 2 | 3.8 | Cc1ccc(N=C2C(=O)Nc3ccc(Br)cc32)cc1 | nan | |||
| 135403068 | 23511 | None | 9 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 358 | 3 | 1 | 3 | 4.2 | CCOc1ccc(N=C2C(=O)Nc3ccc(C)c(Br)c32)cc1 | nan | |||
| CHEMBL1333730 | 23511 | None | 9 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 358 | 3 | 1 | 3 | 4.2 | CCOc1ccc(N=C2C(=O)Nc3ccc(C)c(Br)c32)cc1 | nan | |||
| 6884203 | 108300 | None | 6 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 352 | 4 | 1 | 4 | 4.1 | O=C(N/N=C/c1ccccn1)c1cc(-c2ccccc2)nc2ccccc12 | nan | |||
| CHEMBL3197021 | 108300 | None | 6 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 352 | 4 | 1 | 4 | 4.1 | O=C(N/N=C/c1ccccn1)c1cc(-c2ccccc2)nc2ccccc12 | nan | |||
| 2989697 | 48762 | None | 14 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 377 | 5 | 1 | 6 | 2.4 | CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(OC(F)F)cc2)n1 | nan | |||
| CHEMBL1558462 | 48762 | None | 14 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 377 | 5 | 1 | 6 | 2.4 | CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(OC(F)F)cc2)n1 | nan | |||
| 10435200 | 23871 | None | 0 | Rabbit | Functional | pIC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 478 | 5 | 1 | 7 | 4.0 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(=O)c1ccccc1-c1nn[nH]n1 | 10.1021/jm00078a013 | |||
| CHEMBL133654 | 23871 | None | 0 | Rabbit | Functional | pIC50 | = | 6.1 | 6.1 | - | 1 | ChEMBL | 478 | 5 | 1 | 7 | 4.0 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(=O)c1ccccc1-c1nn[nH]n1 | 10.1021/jm00078a013 | |||
| 5953874 | 41115 | None | 3 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 277 | 2 | 1 | 6 | 2.8 | N=C1S/C(=C\c2ccco2)C(=O)N1c1nccs1 | nan | |||
| CHEMBL1488024 | 41115 | None | 3 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 277 | 2 | 1 | 6 | 2.8 | N=C1S/C(=C\c2ccco2)C(=O)N1c1nccs1 | nan | |||
| 9675542 | 107865 | None | 4 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 273 | 3 | 1 | 3 | 2.8 | Cc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)n1 | nan | |||
| CHEMBL3191999 | 107865 | None | 4 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 273 | 3 | 1 | 3 | 2.8 | Cc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)n1 | nan | |||
| 44292215 | 175544 | None | 0 | Bovine | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 605 | 9 | 1 | 10 | 4.8 | CCCCc1nc2ccc([C@]3(C(=O)OC)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL45766 | 175544 | None | 0 | Bovine | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 605 | 9 | 1 | 10 | 4.8 | CCCCc1nc2ccc([C@]3(C(=O)OC)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 14956774 | 208696 | None | 0 | Rabbit | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 452 | 8 | 1 | 8 | 3.7 | CCCCc1nn(-c2ccccn2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL86741 | 208696 | None | 0 | Rabbit | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 452 | 8 | 1 | 8 | 3.7 | CCCCc1nn(-c2ccccn2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 6873171 | 108780 | None | 4 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 283 | 2 | 1 | 3 | 1.9 | S=C(N/N=C/c1ccc(Cl)cc1)N1CCOCC1 | nan | |||
| CHEMBL3208447 | 108780 | None | 4 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 283 | 2 | 1 | 3 | 1.9 | S=C(N/N=C/c1ccc(Cl)cc1)N1CCOCC1 | nan | |||
| 14971678 | 14551 | None | 0 | Rabbit | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 574 | 10 | 1 | 7 | 7.1 | CCCCc1nn(-c2c(Cl)cccc2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL120290 | 14551 | None | 0 | Rabbit | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 574 | 10 | 1 | 7 | 7.1 | CCCCc1nn(-c2c(Cl)cccc2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 10365283 | 25861 | None | 0 | Rabbit | Functional | pIC50 | = | 8.1 | 8.1 | 416 | 2 | ChEMBL | 428 | 7 | 1 | 5 | 4.9 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(C)C(C(=O)O)c2ccccc2)cc1 | 10.1021/jm00078a014 | |||
| CHEMBL135345 | 25861 | None | 0 | Rabbit | Functional | pIC50 | = | 8.1 | 8.1 | 416 | 2 | ChEMBL | 428 | 7 | 1 | 5 | 4.9 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(C)C(C(=O)O)c2ccccc2)cc1 | 10.1021/jm00078a014 | |||
| 10223724 | 208215 | None | 0 | Rabbit | Functional | pIC50 | = | 8.1 | 8.1 | 1 | 2 | ChEMBL | 417 | 9 | 1 | 7 | 3.7 | CCCCc1nn(CCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL82797 | 208215 | None | 0 | Rabbit | Functional | pIC50 | = | 8.1 | 8.1 | 1 | 2 | ChEMBL | 417 | 9 | 1 | 7 | 3.7 | CCCCc1nn(CCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 10479472 | 115289 | None | 0 | Rabbit | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 462 | 6 | 1 | 7 | 4.8 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2Cc2ccccc2-c2nn[nH]n2)c1 | 10.1021/jm00078a013 | |||
| CHEMBL334660 | 115289 | None | 0 | Rabbit | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | ChEMBL | 462 | 6 | 1 | 7 | 4.8 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2Cc2ccccc2-c2nn[nH]n2)c1 | 10.1021/jm00078a013 | |||
| 10344235 | 208618 | None | 0 | Rabbit | Functional | pIC50 | = | 8.1 | 8.1 | -1 | 3 | ChEMBL | 460 | 5 | 1 | 7 | 5.1 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(-c3nn[nH]n3)cnc3ccccc23)cc1 | 10.1021/jm0603163 | |||
| CHEMBL86247 | 208618 | None | 0 | Rabbit | Functional | pIC50 | = | 8.1 | 8.1 | -1 | 3 | ChEMBL | 460 | 5 | 1 | 7 | 5.1 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(-c3nn[nH]n3)cnc3ccccc23)cc1 | 10.1021/jm0603163 | |||
| 10322504 | 26391 | None | 0 | Rabbit | Functional | pIC50 | = | 7.1 | 7.1 | 19 | 2 | ChEMBL | 470 | 9 | 1 | 5 | 6.1 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(C(C)CC)C(C(=O)O)c2ccccc2)cc1 | 10.1021/jm00078a014 | |||
| CHEMBL135929 | 26391 | None | 0 | Rabbit | Functional | pIC50 | = | 7.1 | 7.1 | 19 | 2 | ChEMBL | 470 | 9 | 1 | 5 | 6.1 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(C(C)CC)C(C(=O)O)c2ccccc2)cc1 | 10.1021/jm00078a014 | |||
| 14956747 | 208432 | None | 0 | Rabbit | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 496 | 9 | 1 | 9 | 4.2 | CCCCc1nn(-c2ccc([N+](=O)[O-])cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL84630 | 208432 | None | 0 | Rabbit | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 496 | 9 | 1 | 9 | 4.2 | CCCCc1nn(-c2ccc([N+](=O)[O-])cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14971673 | 112423 | None | 0 | Rabbit | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 506 | 10 | 1 | 7 | 5.8 | CCCCc1nn(-c2ccccc2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL329466 | 112423 | None | 0 | Rabbit | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 506 | 10 | 1 | 7 | 5.8 | CCCCc1nn(-c2ccccc2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 5339648 | 72977 | None | 10 | Human | Functional | pIC50 | = | 5.1 | 5.1 | 1 | 2 | ChEMBL | 270 | 4 | 1 | 5 | 1.8 | O=C(N/N=C/c1ccccn1)c1cccc([N+](=O)[O-])c1 | nan | |||
| CHEMBL2005961 | 72977 | None | 10 | Human | Functional | pIC50 | = | 5.1 | 5.1 | 1 | 2 | ChEMBL | 270 | 4 | 1 | 5 | 1.8 | O=C(N/N=C/c1ccccn1)c1cccc([N+](=O)[O-])c1 | nan | |||
| 10322995 | 115327 | None | 0 | Rabbit | Functional | pIC50 | = | 7.1 | 7.1 | 134 | 2 | ChEMBL | 482 | 9 | 1 | 5 | 6.1 | C=CCN(c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1C)C(C(=O)O)c1ccccc1C | 10.1021/jm00078a014 | |||
| CHEMBL334832 | 115327 | None | 0 | Rabbit | Functional | pIC50 | = | 7.1 | 7.1 | 134 | 2 | ChEMBL | 482 | 9 | 1 | 5 | 6.1 | C=CCN(c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1C)C(C(=O)O)c1ccccc1C | 10.1021/jm00078a014 | |||
| 10026268 | 116994 | None | 0 | Rabbit | Functional | pIC50 | = | 7.1 | 7.1 | 173 | 2 | ChEMBL | 440 | 6 | 1 | 5 | 4.8 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(C(=O)O)c1ccccc1 | 10.1021/jm00078a013 | |||
| CHEMBL338505 | 116994 | None | 0 | Rabbit | Functional | pIC50 | = | 7.1 | 7.1 | 173 | 2 | ChEMBL | 440 | 6 | 1 | 5 | 4.8 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(C(=O)O)c1ccccc1 | 10.1021/jm00078a013 | |||
| 854200 | 36042 | None | 6 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 239 | 4 | 1 | 2 | 3.6 | Cc1ccc(C(=O)CNc2ccccc2C)cc1 | nan | |||
| CHEMBL1443417 | 36042 | None | 6 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 239 | 4 | 1 | 2 | 3.6 | Cc1ccc(C(=O)CNc2ccccc2C)cc1 | nan | |||
| 973504 | 95275 | None | 6 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 343 | 4 | 1 | 5 | 3.3 | Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)c([N+](=O)[O-])c1 | nan | |||
| CHEMBL256042 | 95275 | None | 6 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -1 | 2 | ChEMBL | 343 | 4 | 1 | 5 | 3.3 | Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)c([N+](=O)[O-])c1 | nan | |||
| 44292180 | 181054 | None | 0 | Bovine | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 575 | 9 | 1 | 8 | 6.0 | CCCCc1nc2ccc([C@]3(CC)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| CHEMBL47583 | 181054 | None | 0 | Bovine | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 575 | 9 | 1 | 8 | 6.0 | CCCCc1nc2ccc([C@]3(CC)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80365-0 | |||
| 200953 | 45853 | None | 3 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 196 | 1 | 0 | 2 | 2.5 | O=C(C#Cc1ccccc1)c1ccco1 | nan | |||
| CHEMBL1531308 | 45853 | None | 3 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 196 | 1 | 0 | 2 | 2.5 | O=C(C#Cc1ccccc1)c1ccco1 | nan | |||
| 2812483 | 43598 | None | 2 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 245 | 3 | 2 | 4 | 2.4 | Cc1cc(C(=O)NNc2ccc(C)c(C)c2)no1 | nan | |||
| CHEMBL1509162 | 43598 | None | 2 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 245 | 3 | 2 | 4 | 2.4 | Cc1cc(C(=O)NNc2ccc(C)c(C)c2)no1 | nan | |||
| 6873172 | 109138 | None | 9 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 263 | 2 | 1 | 3 | 1.5 | Cc1ccc(/C=N/NC(=S)N2CCOCC2)cc1 | nan | |||
| CHEMBL3213140 | 109138 | None | 9 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 263 | 2 | 1 | 3 | 1.5 | Cc1ccc(/C=N/NC(=S)N2CCOCC2)cc1 | nan | |||
| 10437543 | 26275 | None | 0 | Rabbit | Functional | pIC50 | = | 6.1 | 6.1 | 7 | 2 | ChEMBL | 550 | 7 | 2 | 5 | 6.9 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(NC(C(=O)O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 | 10.1021/jm00078a014 | |||
| CHEMBL135819 | 26275 | None | 0 | Rabbit | Functional | pIC50 | = | 6.1 | 6.1 | 7 | 2 | ChEMBL | 550 | 7 | 2 | 5 | 6.9 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(NC(C(=O)O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 | 10.1021/jm00078a014 | |||
| 878879 | 38195 | None | 6 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 303 | 4 | 1 | 2 | 4.1 | Cc1ccccc1NCC(=O)c1ccc(Br)cc1 | nan | |||
| CHEMBL1461745 | 38195 | None | 6 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 303 | 4 | 1 | 2 | 4.1 | Cc1ccccc1NCC(=O)c1ccc(Br)cc1 | nan | |||
| 44341785 | 10149 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -3 | 3 | ChEMBL | 438 | 6 | 1 | 3 | 5.3 | O=C(O)c1ccccc1-c1ccc(CN2C(=O)C3(CCCC3)N=C2Cc2ccccc2)cc1 | 10.1021/acsmedchemlett.1c00240 | |||
| CHEMBL115771 | 10149 | None | 0 | Human | Functional | pIC50 | = | 5.1 | 5.1 | -3 | 3 | ChEMBL | 438 | 6 | 1 | 3 | 5.3 | O=C(O)c1ccccc1-c1ccc(CN2C(=O)C3(CCCC3)N=C2Cc2ccccc2)cc1 | 10.1021/acsmedchemlett.1c00240 | |||
| 6792924 | 108044 | None | 6 | Human | Functional | pIC50 | = | 5.1 | 5.1 | 1 | 2 | ChEMBL | 259 | 3 | 1 | 3 | 2.5 | O=C(N/N=C/c1ccccn1)c1ccc(Cl)cc1 | nan | |||
| CHEMBL3194040 | 108044 | None | 6 | Human | Functional | pIC50 | = | 5.1 | 5.1 | 1 | 2 | ChEMBL | 259 | 3 | 1 | 3 | 2.5 | O=C(N/N=C/c1ccccn1)c1ccc(Cl)cc1 | nan | |||
| 1511959 | 21132 | None | 7 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 359 | 3 | 0 | 8 | 2.0 | CC(=O)C1=C(c2cccc([N+](=O)[O-])c2)N(C(C)=O)n2c(C)nnc2S1 | nan | |||
| CHEMBL1312377 | 21132 | None | 7 | Human | Functional | pIC50 | = | 5.1 | 5.1 | - | 1 | ChEMBL | 359 | 3 | 0 | 8 | 2.0 | CC(=O)C1=C(c2cccc([N+](=O)[O-])c2)N(C(C)=O)n2c(C)nnc2S1 | nan | |||
| 10050755 | 115575 | None | 0 | Rabbit | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 478 | 8 | 1 | 5 | 5.6 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(CC)C(C(=O)O)c2cc(F)ccc2F)cc1 | 10.1021/jm00078a014 | |||
| CHEMBL335276 | 115575 | None | 0 | Rabbit | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 478 | 8 | 1 | 5 | 5.6 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(CC)C(C(=O)O)c2cc(F)ccc2F)cc1 | 10.1021/jm00078a014 | |||
| 54508770 | 70897 | None | 0 | Rabbit | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 472 | 10 | 2 | 7 | 3.8 | CCCCc1nc(C)c(CCC(=O)O)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951125 | 70897 | None | 0 | Rabbit | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 472 | 10 | 2 | 7 | 3.8 | CCCCc1nc(C)c(CCC(=O)O)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 14971682 | 111550 | None | 0 | Rabbit | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 551 | 11 | 1 | 9 | 5.7 | CCCCc1nn(-c2ccccc2[N+](=O)[O-])c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL327718 | 111550 | None | 0 | Rabbit | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 551 | 11 | 1 | 9 | 5.7 | CCCCc1nn(-c2ccccc2[N+](=O)[O-])c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 14956771 | 208811 | None | 0 | Rabbit | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 482 | 8 | 1 | 9 | 3.8 | CCCc1nn(-c2ccccc2[N+](=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87392 | 208811 | None | 0 | Rabbit | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 482 | 8 | 1 | 9 | 3.8 | CCCc1nn(-c2ccccc2[N+](=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 57393228 | 70914 | None | 0 | Rabbit | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 539 | 10 | 1 | 7 | 4.7 | CCCCc1nc(C)c(CCC(=O)N2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| CHEMBL1951141 | 70914 | None | 0 | Rabbit | Functional | pIC50 | = | 8.0 | 8.0 | - | 1 | ChEMBL | 539 | 10 | 1 | 7 | 4.7 | CCCCc1nc(C)c(CCC(=O)N2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.12.116 | |||
| 14971676 | 163469 | None | 0 | Rabbit | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 574 | 10 | 1 | 7 | 7.1 | CCCCc1nn(-c2cccc(Cl)c2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| CHEMBL419321 | 163469 | None | 0 | Rabbit | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 574 | 10 | 1 | 7 | 7.1 | CCCCc1nn(-c2cccc(Cl)c2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00075a014 | |||
| 14956776 | 106024 | None | 0 | Rabbit | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 389 | 7 | 1 | 7 | 2.8 | CCCCc1nn(C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL313017 | 106024 | None | 0 | Rabbit | Functional | pIC50 | = | 7.1 | 7.1 | - | 1 | ChEMBL | 389 | 7 | 1 | 7 | 2.8 | CCCCc1nn(C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 824082 | 26489 | None | 7 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 326 | 5 | 0 | 5 | 2.6 | Cc1ccc(OCCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 | nan | |||
| CHEMBL1360149 | 26489 | None | 7 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 326 | 5 | 0 | 5 | 2.6 | Cc1ccc(OCCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 | nan | |||
| 2564786 | 44714 | None | 4 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 225 | 4 | 1 | 2 | 3.3 | Cc1ccc(C(=O)CNc2ccccc2)cc1 | nan | |||
| CHEMBL1521054 | 44714 | None | 4 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 225 | 4 | 1 | 2 | 3.3 | Cc1ccc(C(=O)CNc2ccccc2)cc1 | nan | |||
| 11754335 | 25311 | None | 0 | Rabbit | Functional | pIC50 | = | 7.0 | 7.0 | 186 | 2 | ChEMBL | 467 | 5 | 2 | 6 | 5.4 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2C(=O)c2ccccc2NC(=O)O)c1 | 10.1021/jm00078a013 | |||
| CHEMBL134901 | 25311 | None | 0 | Rabbit | Functional | pIC50 | = | 7.0 | 7.0 | 186 | 2 | ChEMBL | 467 | 5 | 2 | 6 | 5.4 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(ccn2C(=O)c2ccccc2NC(=O)O)c1 | 10.1021/jm00078a013 | |||
| 1625575 | 54301 | None | 6 | Human | Functional | pIC50 | = | 5.0 | 5.0 | 1 | 2 | ChEMBL | 297 | 5 | 1 | 5 | 1.5 | CCOC(=O)/C=C/S(=O)(=O)c1ccc(NC(C)=O)cc1 | nan | |||
| CHEMBL1608078 | 54301 | None | 6 | Human | Functional | pIC50 | = | 5.0 | 5.0 | 1 | 2 | ChEMBL | 297 | 5 | 1 | 5 | 1.5 | CCOC(=O)/C=C/S(=O)(=O)c1ccc(NC(C)=O)cc1 | nan | |||
| 5680364 | 54920 | None | 4 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 272 | 2 | 1 | 4 | 0.9 | CCOC(=O)C1=C2NC(=O)c3ccccc3N2C(=O)C1 | nan | |||
| CHEMBL1613515 | 54920 | None | 4 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 272 | 2 | 1 | 4 | 0.9 | CCOC(=O)C1=C2NC(=O)c3ccccc3N2C(=O)C1 | nan | |||
| 2411934 | 55466 | None | 0 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 451 | 10 | 2 | 6 | 4.3 | CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)CNCCN(C)C | nan | |||
| CHEMBL1409219 | 55466 | None | 0 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 451 | 10 | 2 | 6 | 4.3 | CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)CNCCN(C)C | nan | |||
| CHEMBL1619798 | 55466 | None | 0 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 451 | 10 | 2 | 6 | 4.3 | CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)CNCCN(C)C | nan | |||
| 2170433 | 46205 | None | 7 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 390 | 8 | 1 | 6 | 2.3 | O=C(Cc1ccccc1)NCC(=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 | nan | |||
| CHEMBL1534477 | 46205 | None | 7 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 390 | 8 | 1 | 6 | 2.3 | O=C(Cc1ccccc1)NCC(=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 | nan | |||
| 9590742 | 107629 | None | 1 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 273 | 3 | 1 | 3 | 2.9 | C/C(=N\NC(=O)c1ccccc1Cl)c1ccccn1 | nan | |||
| CHEMBL3189245 | 107629 | None | 1 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 273 | 3 | 1 | 3 | 2.9 | C/C(=N\NC(=O)c1ccccc1Cl)c1ccccn1 | nan | |||
| 10434876 | 116682 | None | 0 | Rabbit | Functional | pIC50 | = | 7.0 | 7.0 | 7 | 2 | ChEMBL | 470 | 10 | 1 | 5 | 6.1 | CCCCN(c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1)C(C(=O)O)c1ccccc1 | 10.1021/jm00078a014 | |||
| CHEMBL336808 | 116682 | None | 0 | Rabbit | Functional | pIC50 | = | 7.0 | 7.0 | 7 | 2 | ChEMBL | 470 | 10 | 1 | 5 | 6.1 | CCCCN(c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1)C(C(=O)O)c1ccccc1 | 10.1021/jm00078a014 | |||
| 2474590 | 43180 | None | 3 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 291 | 2 | 1 | 4 | 3.2 | O=C(Nc1nc2c(F)cc(F)cc2s1)c1ccccn1 | nan | |||
| CHEMBL1505604 | 43180 | None | 3 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -1 | 2 | ChEMBL | 291 | 2 | 1 | 4 | 3.2 | O=C(Nc1nc2c(F)cc(F)cc2s1)c1ccccn1 | nan | |||
| 9667523 | 108906 | None | 7 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -3 | 2 | ChEMBL | 328 | 6 | 1 | 6 | 2.3 | C/C(=N\NC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1)c1ccccn1 | nan | |||
| CHEMBL3210072 | 108906 | None | 7 | Human | Functional | pIC50 | = | 5.0 | 5.0 | -3 | 2 | ChEMBL | 328 | 6 | 1 | 6 | 2.3 | C/C(=N\NC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1)c1ccccn1 | nan | |||
| 14956770 | 208715 | None | 0 | Rabbit | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 480 | 7 | 1 | 9 | 3.7 | O=c1n(-c2ccccc2[N+](=O)[O-])nc(C2CC2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL86853 | 208715 | None | 0 | Rabbit | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 480 | 7 | 1 | 9 | 3.7 | O=c1n(-c2ccccc2[N+](=O)[O-])nc(C2CC2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 14956785 | 208850 | None | 0 | Rabbit | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 460 | 9 | 2 | 8 | 2.6 | CCCCc1nn(C(C)C(=O)NC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| CHEMBL87682 | 208850 | None | 0 | Rabbit | Functional | pIC50 | = | 7.0 | 7.0 | - | 1 | ChEMBL | 460 | 9 | 2 | 8 | 2.6 | CCCCc1nn(C(C)C(=O)NC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00069a015 | |||
| 1487013 | 51979 | None | 13 | Human | Functional | pIC50 | = | 5.0 | 5.0 | 1 | 3 | ChEMBL | 317 | 3 | 1 | 6 | 1.4 | CNC(=O)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1 | nan | |||
| CHEMBL1586425 | 51979 | None | 13 | Human | Functional | pIC50 | = | 5.0 | 5.0 | 1 | 3 | ChEMBL | 317 | 3 | 1 | 6 | 1.4 | CNC(=O)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1 | nan | |||
| 5337284 | 45720 | None | 3 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 342 | 5 | 1 | 3 | 4.5 | Cc1cccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccncc3)cc2)c1 | nan | |||
| CHEMBL1530173 | 45720 | None | 3 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 342 | 5 | 1 | 3 | 4.5 | Cc1cccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccncc3)cc2)c1 | nan | |||
| 991372 | 53866 | None | 32 | Human | Functional | pIC50 | = | 5.0 | 5.0 | 1 | 2 | ChEMBL | 382 | 1 | 2 | 5 | 4.5 | CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)cc1O | nan | |||
| CHEMBL1604546 | 53866 | None | 32 | Human | Functional | pIC50 | = | 5.0 | 5.0 | 1 | 2 | ChEMBL | 382 | 1 | 2 | 5 | 4.5 | CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)cc1O | nan | |||
| 135472791 | 22342 | None | 5 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 277 | 2 | 1 | 4 | 5.0 | Cc1ccc(C)c(N=Nc2ccc(O)c3ncccc23)c1 | nan | |||
| CHEMBL1324011 | 22342 | None | 5 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 277 | 2 | 1 | 4 | 5.0 | Cc1ccc(C)c(N=Nc2ccc(O)c3ncccc23)c1 | nan | |||
| 788618 | 20011 | None | 8 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 253 | 4 | 1 | 2 | 3.9 | Cc1ccc(C(=O)CNc2cc(C)ccc2C)cc1 | nan | |||
| CHEMBL1303334 | 20011 | None | 8 | Human | Functional | pIC50 | = | 5.0 | 5.0 | - | 1 | ChEMBL | 253 | 4 | 1 | 2 | 3.9 | Cc1ccc(C(=O)CNc2cc(C)ccc2C)cc1 | nan | |||
| 788408 | 43559 | None | 8 | Human | Functional | pIC50 | = | 5 | 5.0 | - | 1 | ChEMBL | 259 | 4 | 1 | 2 | 3.9 | Cc1ccc(C(=O)CNc2cccc(Cl)c2)cc1 | nan | |||
| CHEMBL1508797 | 43559 | None | 8 | Human | Functional | pIC50 | = | 5 | 5.0 | - | 1 | ChEMBL | 259 | 4 | 1 | 2 | 3.9 | Cc1ccc(C(=O)CNc2cccc(Cl)c2)cc1 | nan | |||
| 6918269 | 98523 | None | 10 | Human | Functional | pKd | = | 10.9 | 10.9 | 5 | 2 | ChEMBL | 508 | 9 | 1 | 7 | 5.5 | CCCCc1nc2ccc(C(C)(C)OC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL275875 | 98523 | None | 10 | Human | Functional | pKd | = | 10.9 | 10.9 | 5 | 2 | ChEMBL | 508 | 9 | 1 | 7 | 5.5 | CCCCc1nc2ccc(C(C)(C)OC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL295959 | 98523 | None | 10 | Human | Functional | pKd | = | 10.9 | 10.9 | 5 | 2 | ChEMBL | 508 | 9 | 1 | 7 | 5.5 | CCCCc1nc2ccc(C(C)(C)OC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| 11527144 | 179211 | None | 0 | Human | Functional | pKd | = | 10.9 | 10.9 | - | 1 | ChEMBL | 561 | 8 | 1 | 8 | 5.6 | CCCCc1nc2ccc([C@]3(C)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL297425 | 179211 | None | 0 | Human | Functional | pKd | = | 10.9 | 10.9 | - | 1 | ChEMBL | 561 | 8 | 1 | 8 | 5.6 | CCCCc1nc2ccc([C@]3(C)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL47177 | 179211 | None | 0 | Human | Functional | pKd | = | 10.9 | 10.9 | - | 1 | ChEMBL | 561 | 8 | 1 | 8 | 5.6 | CCCCc1nc2ccc([C@]3(C)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| 133031 | 100913 | None | 21 | Rabbit | Functional | pKd | = | 10.3 | 10.3 | -1 | 3 | ChEMBL | 524 | 7 | 1 | 6 | 5.4 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL293511 | 100913 | None | 21 | Rabbit | Functional | pKd | = | 10.3 | 10.3 | -1 | 3 | ChEMBL | 524 | 7 | 1 | 6 | 5.4 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| 9887844 | 163295 | None | 4 | Rabbit | Functional | pKd | = | 10.3 | 10.3 | - | 1 | ChEMBL | 411 | 6 | 1 | 5 | 4.9 | CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2c(n1)CCCC2 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL418226 | 163295 | None | 4 | Rabbit | Functional | pKd | = | 10.3 | 10.3 | - | 1 | ChEMBL | 411 | 6 | 1 | 5 | 4.9 | CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2c(n1)CCCC2 | 10.1016/j.bmc.2010.10.043 | |||
| 9911332 | 44715 | None | 1 | Rabbit | Functional | pKd | = | 10.2 | 10.2 | - | 0 | ChEMBL | 444 | 7 | 2 | 6 | 4.7 | CCCn1nc(C(C)(C)C)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm9604383 | |||
| CHEMBL152106 | 44715 | None | 1 | Rabbit | Functional | pKd | = | 10.2 | 10.2 | - | 0 | ChEMBL | 444 | 7 | 2 | 6 | 4.7 | CCCn1nc(C(C)(C)C)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm9604383 | |||
| 132387 | 162428 | None | 20 | Rabbit | Functional | pKd | = | 10.1 | 10.1 | - | 0 | ChEMBL | 414 | 8 | 2 | 6 | 4.0 | CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1C(=O)O | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL416477 | 162428 | None | 20 | Rabbit | Functional | pKd | = | 10.1 | 10.1 | - | 0 | ChEMBL | 414 | 8 | 2 | 6 | 4.0 | CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncccc1C(=O)O | 10.1016/j.bmc.2010.10.043 | |||
| 108185 | 1614 | None | 50 | Rabbit | Functional | pKd | = | 10.1 | 10.1 | -3 | 5 | ChEMBL | 436 | 8 | 2 | 6 | 4.5 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl | 10.1016/j.bmc.2010.10.043 | |||
| 586 | 1614 | None | 50 | Rabbit | Functional | pKd | = | 10.1 | 10.1 | -3 | 5 | ChEMBL | 436 | 8 | 2 | 6 | 4.5 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL907 | 1614 | None | 50 | Rabbit | Functional | pKd | = | 10.1 | 10.1 | -3 | 5 | ChEMBL | 436 | 8 | 2 | 6 | 4.5 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl | 10.1016/j.bmc.2010.10.043 | |||
| 9802561 | 161345 | None | 27 | Rabbit | Functional | pKd | = | 10.0 | 10.0 | - | 0 | ChEMBL | 426 | 6 | 1 | 6 | 4.6 | CCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C(=O)CCCC2 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL41194 | 161345 | None | 27 | Rabbit | Functional | pKd | = | 10.0 | 10.0 | - | 0 | ChEMBL | 426 | 6 | 1 | 6 | 4.6 | CCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C(=O)CCCC2 | 10.1016/j.bmc.2010.10.043 | |||
| 19890807 | 111597 | None | 0 | Rabbit | Functional | pKd | = | 10 | 10.0 | - | 0 | ChEMBL | 466 | 8 | 1 | 7 | 5.4 | CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2nc(OC(C)C)ccc2n1 | 10.1021/jm00070a012 | |||
| CHEMBL327932 | 111597 | None | 0 | Rabbit | Functional | pKd | = | 10 | 10.0 | - | 0 | ChEMBL | 466 | 8 | 1 | 7 | 5.4 | CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2nc(OC(C)C)ccc2n1 | 10.1021/jm00070a012 | |||
| 15657904 | 187588 | None | 2 | Rabbit | Functional | pKd | = | 9.9 | 9.9 | - | 0 | ChEMBL | 415 | 8 | 2 | 7 | 3.4 | CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncncc1C(=O)O | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL49410 | 187588 | None | 2 | Rabbit | Functional | pKd | = | 9.9 | 9.9 | - | 0 | ChEMBL | 415 | 8 | 2 | 7 | 3.4 | CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncncc1C(=O)O | 10.1016/j.bmc.2010.10.043 | |||
| 19017678 | 176257 | None | 0 | Human | Functional | pKd | = | 9.3 | 9.3 | - | 0 | ChEMBL | 474 | 11 | 2 | 8 | 4.3 | CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nnn(CC(C)C)c1C(=O)O | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL45927 | 176257 | None | 0 | Human | Functional | pKd | = | 9.3 | 9.3 | - | 0 | ChEMBL | 474 | 11 | 2 | 8 | 4.3 | CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nnn(CC(C)C)c1C(=O)O | 10.1016/j.bmc.2010.10.043 | |||
| 9935096 | 210230 | None | 1 | Human | Functional | pKd | = | 9.3 | 9.3 | - | 1 | ChEMBL | 485 | 8 | 1 | 7 | 5.3 | CCCCc1cn([C@@H]2[C@@H](C)CCC[C@H]2C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL9599 | 210230 | None | 1 | Human | Functional | pKd | = | 9.3 | 9.3 | - | 1 | ChEMBL | 485 | 8 | 1 | 7 | 5.3 | CCCCc1cn([C@@H]2[C@@H](C)CCC[C@H]2C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1 | 10.1016/j.bmc.2010.10.043 | |||
| 44373246 | 168370 | None | 0 | Rabbit | Functional | pKd | = | 9.2 | 9.2 | - | 1 | ChEMBL | 435 | 5 | 1 | 6 | 4.5 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)C(Cc1nnn[nH]1)c1ccccc1-2 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL433895 | 168370 | None | 0 | Rabbit | Functional | pKd | = | 9.2 | 9.2 | - | 1 | ChEMBL | 435 | 5 | 1 | 6 | 4.5 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)C(Cc1nnn[nH]1)c1ccccc1-2 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL2373017 | 212813 | None | 0 | Rat | Functional | pKd | = | 9.1 | 9.1 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCSSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O | 10.1021/jm00169a019 | |||||
| 9912059 | 185462 | None | 0 | Rabbit | Functional | pKd | = | 9 | 9.0 | - | 1 | ChEMBL | 459 | 7 | 1 | 6 | 4.5 | CCOC(=O)/C=C1\CC(C)(CC)CC(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL48602 | 185462 | None | 0 | Rabbit | Functional | pKd | = | 9 | 9.0 | - | 1 | ChEMBL | 459 | 7 | 1 | 6 | 4.5 | CCOC(=O)/C=C1\CC(C)(CC)CC(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| 131654 | 208861 | None | 10 | Rabbit | Functional | pKd | = | 8.9 | 8.9 | 1 | 2 | ChEMBL | 431 | 10 | 1 | 7 | 4.1 | CCCCc1nn(CCCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL87778 | 208861 | None | 10 | Rabbit | Functional | pKd | = | 8.9 | 8.9 | 1 | 2 | ChEMBL | 431 | 10 | 1 | 7 | 4.1 | CCCCc1nn(CCCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| 9801006 | 119793 | None | 0 | Rabbit | Functional | pKd | = | 8.8 | 8.8 | - | 1 | ChEMBL | 398 | 6 | 1 | 7 | 3.6 | CCc1nc2c(CC)cn(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)n2n1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL347610 | 119793 | None | 0 | Rabbit | Functional | pKd | = | 8.8 | 8.8 | - | 1 | ChEMBL | 398 | 6 | 1 | 7 | 3.6 | CCc1nc2c(CC)cn(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)n2n1 | 10.1016/j.bmc.2010.10.043 | |||
| 178553 | 120308 | None | 15 | Rabbit | Functional | pKd | = | 8.8 | 8.8 | - | 0 | ChEMBL | 387 | 6 | 1 | 6 | 4.1 | COc1c(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc(C)nc1C | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL352257 | 120308 | None | 15 | Rabbit | Functional | pKd | = | 8.8 | 8.8 | - | 0 | ChEMBL | 387 | 6 | 1 | 6 | 4.1 | COc1c(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc(C)nc1C | 10.1016/j.bmc.2010.10.043 | |||
| 70682146 | 76358 | None | 0 | Rabbit | Functional | pKd | = | 8.8 | 8.8 | - | 1 | ChEMBL | 569 | 10 | 2 | 6 | 6.7 | CCCc1nc2c(C)cc(C(=O)NCC(C)c3ccccc3)cc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmc.2012.05.056 | |||
| CHEMBL2058860 | 76358 | None | 0 | Rabbit | Functional | pKd | = | 8.8 | 8.8 | - | 1 | ChEMBL | 569 | 10 | 2 | 6 | 6.7 | CCCc1nc2c(C)cc(C(=O)NCC(C)c3ccccc3)cc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmc.2012.05.056 | |||
| 46910493 | 76362 | None | 0 | Rabbit | Functional | pKd | = | 8.7 | 8.7 | - | 1 | ChEMBL | 615 | 12 | 2 | 8 | 6.2 | CCCc1nc2c(C)cc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmc.2012.05.056 | |||
| CHEMBL2058864 | 76362 | None | 0 | Rabbit | Functional | pKd | = | 8.7 | 8.7 | - | 1 | ChEMBL | 615 | 12 | 2 | 8 | 6.2 | CCCc1nc2c(C)cc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmc.2012.05.056 | |||
| 9931685 | 208542 | None | 0 | Human | Functional | pKd | = | 8.7 | 8.7 | 1 | 2 | ChEMBL | 415 | 10 | 1 | 6 | 4.9 | CCCCc1nc(CCCC)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL85595 | 208542 | None | 0 | Human | Functional | pKd | = | 8.7 | 8.7 | 1 | 2 | ChEMBL | 415 | 10 | 1 | 6 | 4.9 | CCCCc1nc(CCCC)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n1 | 10.1016/j.bmc.2010.10.043 | |||
| 131857 | 206717 | None | 17 | Rabbit | Functional | pKd | = | 8.7 | 8.7 | - | 0 | ChEMBL | 383 | 5 | 1 | 4 | 5.0 | Cc1ccnc2c1nc(C1CC1)n2Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL71162 | 206717 | None | 17 | Rabbit | Functional | pKd | = | 8.7 | 8.7 | - | 0 | ChEMBL | 383 | 5 | 1 | 4 | 5.0 | Cc1ccnc2c1nc(C1CC1)n2Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| 44438885 | 90988 | None | 0 | Rabbit | Functional | pKd | = | 8 | 8.0 | - | 1 | ChEMBL | 417 | 8 | 2 | 5 | 4.6 | CCCCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-n2cccc2C(=O)O)cc1 | 10.1016/j.bmcl.2007.02.042 | |||
| CHEMBL239378 | 90988 | None | 0 | Rabbit | Functional | pKd | = | 8 | 8.0 | - | 1 | ChEMBL | 417 | 8 | 2 | 5 | 4.6 | CCCCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-n2cccc2C(=O)O)cc1 | 10.1016/j.bmcl.2007.02.042 | |||
| 2541 | 786 | None | 65 | Rat | Functional | pKd | = | 8 | 8.0 | - | 10 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1016/j.ejmech.2007.11.008 | |||
| 2541.0 | 786 | None | 65 | Rat | Functional | pKd | = | 8 | 8.0 | - | 10 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1016/j.ejmech.2007.11.008 | |||
| 587 | 786 | None | 65 | Rat | Functional | pKd | = | 8 | 8.0 | - | 10 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1016/j.ejmech.2007.11.008 | |||
| 6907 | 786 | None | 65 | Rat | Functional | pKd | = | 8 | 8.0 | - | 10 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1016/j.ejmech.2007.11.008 | |||
| CHEMBL1016 | 786 | None | 65 | Rat | Functional | pKd | = | 8 | 8.0 | - | 10 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1016/j.ejmech.2007.11.008 | |||
| DB00796 | 786 | None | 65 | Rat | Functional | pKd | = | 8 | 8.0 | - | 10 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1016/j.ejmech.2007.11.008 | |||
| DB13919 | 786 | None | 65 | Rat | Functional | pKd | = | 8 | 8.0 | - | 10 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1016/j.ejmech.2007.11.008 | |||
| 10094851 | 21304 | None | 0 | Rat | Functional | pKd | = | 8 | 8.0 | - | 1 | ChEMBL | 441 | 8 | 2 | 4 | 5.8 | CCCCc1nc2cc(NC(C)=O)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.ejmech.2007.11.008 | |||
| CHEMBL131365 | 21304 | None | 0 | Rat | Functional | pKd | = | 8 | 8.0 | - | 1 | ChEMBL | 441 | 8 | 2 | 4 | 5.8 | CCCCc1nc2cc(NC(C)=O)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.ejmech.2007.11.008 | |||
| 1610 | 2347 | None | 64 | Rat | Functional | pKd | = | 8 | 8.0 | -9 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2008.10.056 | |||
| 3941 | 2347 | None | 64 | Rat | Functional | pKd | = | 8 | 8.0 | -9 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2008.10.056 | |||
| 3961 | 2347 | None | 64 | Rat | Functional | pKd | = | 8 | 8.0 | -9 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2008.10.056 | |||
| 3961.0 | 2347 | None | 64 | Rat | Functional | pKd | = | 8 | 8.0 | -9 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2008.10.056 | |||
| 590 | 2347 | None | 64 | Rat | Functional | pKd | = | 8 | 8.0 | -9 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2008.10.056 | |||
| CHEMBL191 | 2347 | None | 64 | Rat | Functional | pKd | = | 8 | 8.0 | -9 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2008.10.056 | |||
| DB00678 | 2347 | None | 64 | Rat | Functional | pKd | = | 8 | 8.0 | -9 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2008.10.056 | |||
| 24827770 | 95933 | None | 0 | Rabbit | Functional | pKd | = | 8.0 | 8.0 | - | 1 | ChEMBL | 425 | 7 | 1 | 7 | 3.9 | CCCCn1c(=O)c2cccnc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm7011563 | |||
| CHEMBL259114 | 95933 | None | 0 | Rabbit | Functional | pKd | = | 8.0 | 8.0 | - | 1 | ChEMBL | 425 | 7 | 1 | 7 | 3.9 | CCCCn1c(=O)c2cccnc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm7011563 | |||
| 44438869 | 146423 | None | 0 | Rabbit | Functional | pKd | = | 7 | 7.0 | - | 1 | ChEMBL | 413 | 5 | 1 | 8 | 3.2 | COC(=O)c1cccc2nc(C)n(Cc3ccc(-n4cccc4-c4nnn[nH]4)cc3)c12 | 10.1016/j.bmcl.2007.02.042 | |||
| CHEMBL392118 | 146423 | None | 0 | Rabbit | Functional | pKd | = | 7 | 7.0 | - | 1 | ChEMBL | 413 | 5 | 1 | 8 | 3.2 | COC(=O)c1cccc2nc(C)n(Cc3ccc(-n4cccc4-c4nnn[nH]4)cc3)c12 | 10.1016/j.bmcl.2007.02.042 | |||
| 44438900 | 147936 | None | 0 | Rabbit | Functional | pKd | = | 7 | 7.0 | - | 1 | ChEMBL | 403 | 7 | 2 | 5 | 4.2 | CCCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-n2cccc2C(=O)O)cc1 | 10.1016/j.bmcl.2007.02.042 | |||
| CHEMBL393305 | 147936 | None | 0 | Rabbit | Functional | pKd | = | 7 | 7.0 | - | 1 | ChEMBL | 403 | 7 | 2 | 5 | 4.2 | CCCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-n2cccc2C(=O)O)cc1 | 10.1016/j.bmcl.2007.02.042 | |||
| 44570265 | 178514 | None | 0 | Rat | Functional | pKd | = | 7 | 7.0 | - | 0 | ChEMBL | 519 | 12 | 2 | 5 | 5.9 | CCCCNS(=O)(=O)c1ccc2c(c1)nc(CCCC)n2Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2008.10.056 | |||
| CHEMBL465929 | 178514 | None | 0 | Rat | Functional | pKd | = | 7 | 7.0 | - | 0 | ChEMBL | 519 | 12 | 2 | 5 | 5.9 | CCCCNS(=O)(=O)c1ccc2c(c1)nc(CCCC)n2Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2008.10.056 | |||
| 19351553 | 118762 | None | 0 | Rabbit | Functional | pKd | = | 7 | 7.0 | - | 0 | ChEMBL | 389 | 10 | 4 | 6 | 3.1 | CCCCCCC(C(=O)O)n1cnc(NC(=O)c2cccc(O)c2C(=O)O)c1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL341716 | 118762 | None | 0 | Rabbit | Functional | pKd | = | 7 | 7.0 | - | 0 | ChEMBL | 389 | 10 | 4 | 6 | 3.1 | CCCCCCC(C(=O)O)n1cnc(NC(=O)c2cccc(O)c2C(=O)O)c1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL264230 | 213068 | None | 0 | Rabbit | Functional | pKd | = | 7.0 | 7.0 | - | 0 | ChEMBL | None | None | None | CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)O)C(C)C)C(C)C | 10.1021/jm9608669 | |||||
| CHEMBL384349 | 214783 | None | 0 | Rabbit | Functional | pKd | = | 7.0 | 7.0 | - | 0 | ChEMBL | None | None | None | CCCCCCCCCCCCCCCC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)O)C(C)C)cc1 | 10.1021/jm9608669 | |||||
| 1610 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmcl.2007.02.042 | |||
| 3941 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmcl.2007.02.042 | |||
| 3961 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmcl.2007.02.042 | |||
| 3961.0 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmcl.2007.02.042 | |||
| 590 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmcl.2007.02.042 | |||
| CHEMBL191 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmcl.2007.02.042 | |||
| DB00678 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmcl.2007.02.042 | |||
| 44438865 | 93428 | None | 0 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | - | 1 | ChEMBL | 441 | 7 | 1 | 8 | 3.8 | CCCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-n2cccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2007.02.042 | |||
| CHEMBL245644 | 93428 | None | 0 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | - | 1 | ChEMBL | 441 | 7 | 1 | 8 | 3.8 | CCCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-n2cccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2007.02.042 | |||
| 1610 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2012.05.056 | |||
| 3941 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2012.05.056 | |||
| 3961 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2012.05.056 | |||
| 3961.0 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2012.05.056 | |||
| 590 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2012.05.056 | |||
| CHEMBL191 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2012.05.056 | |||
| DB00678 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2012.05.056 | |||
| 44570305 | 190427 | None | 0 | Rat | Functional | pKd | = | 7.9 | 7.9 | - | 0 | ChEMBL | 545 | 10 | 2 | 5 | 6.4 | CCCCc1nc2cc(S(=O)(=O)NC3CCCCC3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2008.10.056 | |||
| CHEMBL517626 | 190427 | None | 0 | Rat | Functional | pKd | = | 7.9 | 7.9 | - | 0 | ChEMBL | 545 | 10 | 2 | 5 | 6.4 | CCCCc1nc2cc(S(=O)(=O)NC3CCCCC3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2008.10.056 | |||
| 1610 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.ejmech.2012.01.009 | |||
| 3941 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.ejmech.2012.01.009 | |||
| 3961 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.ejmech.2012.01.009 | |||
| 3961.0 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.ejmech.2012.01.009 | |||
| 590 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.ejmech.2012.01.009 | |||
| CHEMBL191 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.ejmech.2012.01.009 | |||
| DB00678 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.ejmech.2012.01.009 | |||
| 44348352 | 16535 | None | 0 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | 1 | 2 | ChEMBL | 459 | 8 | 1 | 6 | 4.5 | CCOC(=O)/C=C1\N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(=O)CC1(CC)CC | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL123713 | 16535 | None | 0 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | 1 | 2 | ChEMBL | 459 | 8 | 1 | 6 | 4.5 | CCOC(=O)/C=C1\N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(=O)CC1(CC)CC | 10.1016/j.bmc.2010.10.043 | |||
| 1610 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2010.10.043 | |||
| 3941 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2010.10.043 | |||
| 3961 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2010.10.043 | |||
| 3961.0 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2010.10.043 | |||
| 590 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL191 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2010.10.043 | |||
| DB00678 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 7.9 | 7.9 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2010.10.043 | |||
| 44570215 | 183657 | None | 0 | Rat | Functional | pKd | = | 6.9 | 6.9 | - | 0 | ChEMBL | 477 | 9 | 2 | 5 | 4.7 | CCCCc1nc2cc(S(=O)(=O)NC)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2008.10.056 | |||
| CHEMBL480018 | 183657 | None | 0 | Rat | Functional | pKd | = | 6.9 | 6.9 | - | 0 | ChEMBL | 477 | 9 | 2 | 5 | 4.7 | CCCCc1nc2cc(S(=O)(=O)NC)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2008.10.056 | |||
| 9906367 | 52165 | None | 0 | Human | Functional | pKd | = | 6.9 | 6.9 | - | 0 | ChEMBL | 349 | 4 | 1 | 5 | 3.1 | C[C@H]1CN(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@@H](C)O1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL158794 | 52165 | None | 0 | Human | Functional | pKd | = | 6.9 | 6.9 | - | 0 | ChEMBL | 349 | 4 | 1 | 5 | 3.1 | C[C@H]1CN(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C[C@@H](C)O1 | 10.1016/j.bmc.2010.10.043 | |||
| 44438902 | 169499 | None | 0 | Rabbit | Functional | pKd | = | 5.9 | 5.9 | - | 1 | ChEMBL | 375 | 5 | 2 | 5 | 3.6 | Cc1nc2cccc(C(=O)O)c2n1Cc1ccc(-n2cccc2C(=O)O)cc1 | 10.1016/j.bmcl.2007.02.042 | |||
| CHEMBL442251 | 169499 | None | 0 | Rabbit | Functional | pKd | = | 5.9 | 5.9 | - | 1 | ChEMBL | 375 | 5 | 2 | 5 | 3.6 | Cc1nc2cccc(C(=O)O)c2n1Cc1ccc(-n2cccc2C(=O)O)cc1 | 10.1016/j.bmcl.2007.02.042 | |||
| 46910495 | 76359 | None | 0 | Rabbit | Functional | pKd | = | 7.8 | 7.8 | - | 1 | ChEMBL | 585 | 11 | 2 | 7 | 6.2 | CCCc1nc2c(C)cc(C(=O)NCCc3cccc(OC)c3)cc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmc.2012.05.056 | |||
| CHEMBL2058861 | 76359 | None | 0 | Rabbit | Functional | pKd | = | 7.8 | 7.8 | - | 1 | ChEMBL | 585 | 11 | 2 | 7 | 6.2 | CCCc1nc2c(C)cc(C(=O)NCCc3cccc(OC)c3)cc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmc.2012.05.056 | |||
| 24828707 | 95990 | None | 0 | Rabbit | Functional | pKd | = | 7.8 | 7.8 | - | 1 | ChEMBL | 425 | 7 | 1 | 7 | 3.9 | CCCCn1c2ncccc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm7011563 | |||
| CHEMBL259353 | 95990 | None | 0 | Rabbit | Functional | pKd | = | 7.8 | 7.8 | - | 1 | ChEMBL | 425 | 7 | 1 | 7 | 3.9 | CCCCn1c2ncccc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm7011563 | |||
| 44438870 | 92039 | None | 0 | Rabbit | Functional | pKd | = | 7.8 | 7.8 | - | 1 | ChEMBL | 469 | 9 | 1 | 8 | 4.6 | CCCCc1nc2cccc(C(=O)OCC)c2n1Cc1ccc(-n2cccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2007.02.042 | |||
| CHEMBL241685 | 92039 | None | 0 | Rabbit | Functional | pKd | = | 7.8 | 7.8 | - | 1 | ChEMBL | 469 | 9 | 1 | 8 | 4.6 | CCCCc1nc2cccc(C(=O)OCC)c2n1Cc1ccc(-n2cccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2007.02.042 | |||
| 10250336 | 18893 | None | 0 | Rat | Functional | pKd | = | 7.8 | 7.8 | - | 1 | ChEMBL | 399 | 7 | 2 | 4 | 5.4 | CCCCc1nc2cc(N)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.ejmech.2007.11.008 | |||
| CHEMBL128318 | 18893 | None | 0 | Rat | Functional | pKd | = | 7.8 | 7.8 | - | 1 | ChEMBL | 399 | 7 | 2 | 4 | 5.4 | CCCCc1nc2cc(N)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.ejmech.2007.11.008 | |||
| 53323218 | 60272 | None | 0 | Guinea pig | Functional | pKd | = | 7.8 | 7.8 | - | 0 | ChEMBL | 417 | 7 | 2 | 5 | 4.5 | CCCc1nc2cc(C(=O)OC)[nH]c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL1668010 | 60272 | None | 0 | Guinea pig | Functional | pKd | = | 7.8 | 7.8 | - | 0 | ChEMBL | 417 | 7 | 2 | 5 | 4.5 | CCCc1nc2cc(C(=O)OC)[nH]c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL1741079 | 60272 | None | 0 | Guinea pig | Functional | pKd | = | 7.8 | 7.8 | - | 0 | ChEMBL | 417 | 7 | 2 | 5 | 4.5 | CCCc1nc2cc(C(=O)OC)[nH]c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| 25110812 | 179145 | None | 0 | Rat | Functional | pKd | = | 7.7 | 7.7 | - | 0 | ChEMBL | 455 | 9 | 2 | 4 | 6.1 | CCCCc1nc2cc(NC(=O)CC)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.ejmech.2007.11.008 | |||
| CHEMBL471334 | 179145 | None | 0 | Rat | Functional | pKd | = | 7.7 | 7.7 | - | 0 | ChEMBL | 455 | 9 | 2 | 4 | 6.1 | CCCCc1nc2cc(NC(=O)CC)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.ejmech.2007.11.008 | |||
| 1610 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 6.7 | 6.7 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm7011563 | |||
| 3941 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 6.7 | 6.7 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm7011563 | |||
| 3961 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 6.7 | 6.7 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm7011563 | |||
| 3961.0 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 6.7 | 6.7 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm7011563 | |||
| 590 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 6.7 | 6.7 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm7011563 | |||
| CHEMBL191 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 6.7 | 6.7 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm7011563 | |||
| DB00678 | 2347 | None | 64 | Rabbit | Functional | pKd | = | 6.7 | 6.7 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm7011563 | |||
| 44570214 | 183656 | None | 0 | Rat | Functional | pKd | = | 6.7 | 6.7 | - | 0 | ChEMBL | 463 | 8 | 2 | 5 | 4.4 | CCCCc1nc2cc(S(N)(=O)=O)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2008.10.056 | |||
| CHEMBL480017 | 183656 | None | 0 | Rat | Functional | pKd | = | 6.7 | 6.7 | - | 0 | ChEMBL | 463 | 8 | 2 | 5 | 4.4 | CCCCc1nc2cc(S(N)(=O)=O)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2008.10.056 | |||
| 9932483 | 210302 | None | 0 | Human | Functional | pKd | = | 8.7 | 8.7 | - | 1 | ChEMBL | 431 | 10 | 1 | 7 | 4.1 | CCCCc1cn(CCCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL9642 | 210302 | None | 0 | Human | Functional | pKd | = | 8.7 | 8.7 | - | 1 | ChEMBL | 431 | 10 | 1 | 7 | 4.1 | CCCCc1cn(CCCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1 | 10.1016/j.bmc.2010.10.043 | |||
| 9954408 | 210426 | None | 0 | Human | Functional | pKd | = | 8.7 | 8.7 | - | 1 | ChEMBL | 430 | 10 | 1 | 6 | 4.7 | CCCCc1cn(CCCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL9714 | 210426 | None | 0 | Human | Functional | pKd | = | 8.7 | 8.7 | - | 1 | ChEMBL | 430 | 10 | 1 | 6 | 4.7 | CCCCc1cn(CCCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| 25112615 | 185997 | None | 0 | Rat | Functional | pKd | = | 6.6 | 6.6 | - | 0 | ChEMBL | 503 | 9 | 2 | 4 | 7.0 | CCCCc1nc2cc(NC(=O)c3ccccc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.ejmech.2007.11.008 | |||
| CHEMBL486847 | 185997 | None | 0 | Rat | Functional | pKd | = | 6.6 | 6.6 | - | 0 | ChEMBL | 503 | 9 | 2 | 4 | 7.0 | CCCCc1nc2cc(NC(=O)c3ccccc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.ejmech.2007.11.008 | |||
| 44570306 | 178402 | None | 0 | Rat | Functional | pKd | = | 6.6 | 6.6 | - | 0 | ChEMBL | 464 | 8 | 2 | 5 | 5.0 | CCCCc1nc2cc(S(=O)(=O)O)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2008.10.056 | |||
| CHEMBL465097 | 178402 | None | 0 | Rat | Functional | pKd | = | 6.6 | 6.6 | - | 0 | ChEMBL | 464 | 8 | 2 | 5 | 5.0 | CCCCc1nc2cc(S(=O)(=O)O)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2008.10.056 | |||
| 15224471 | 154923 | None | 0 | Rabbit | Functional | pKd | = | 8.5 | 8.5 | - | 1 | ChEMBL | 441 | 8 | 2 | 7 | 4.1 | CCCCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-n2cccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2007.02.042 | |||
| CHEMBL400424 | 154923 | None | 0 | Rabbit | Functional | pKd | = | 8.5 | 8.5 | - | 1 | ChEMBL | 441 | 8 | 2 | 7 | 4.1 | CCCCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-n2cccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2007.02.042 | |||
| 2541 | 786 | None | 65 | Rat | Functional | pKd | = | 8.5 | 8.5 | - | 10 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1016/j.bmc.2008.10.056 | |||
| 2541.0 | 786 | None | 65 | Rat | Functional | pKd | = | 8.5 | 8.5 | - | 10 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1016/j.bmc.2008.10.056 | |||
| 587 | 786 | None | 65 | Rat | Functional | pKd | = | 8.5 | 8.5 | - | 10 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1016/j.bmc.2008.10.056 | |||
| 6907 | 786 | None | 65 | Rat | Functional | pKd | = | 8.5 | 8.5 | - | 10 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1016/j.bmc.2008.10.056 | |||
| CHEMBL1016 | 786 | None | 65 | Rat | Functional | pKd | = | 8.5 | 8.5 | - | 10 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1016/j.bmc.2008.10.056 | |||
| DB00796 | 786 | None | 65 | Rat | Functional | pKd | = | 8.5 | 8.5 | - | 10 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1016/j.bmc.2008.10.056 | |||
| DB13919 | 786 | None | 65 | Rat | Functional | pKd | = | 8.5 | 8.5 | - | 10 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1016/j.bmc.2008.10.056 | |||
| 4110026 | 207393 | None | 1 | Rat | Functional | pKd | = | 8.5 | 8.5 | - | 2 | ChEMBL | 384 | 7 | 1 | 3 | 5.8 | CCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2008.10.056 | |||
| CHEMBL7632 | 207393 | None | 1 | Rat | Functional | pKd | = | 8.5 | 8.5 | - | 2 | ChEMBL | 384 | 7 | 1 | 3 | 5.8 | CCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2008.10.056 | |||
| 57380647 | 70378 | None | 0 | Rabbit | Functional | pKd | = | 8.5 | 8.5 | - | 2 | ChEMBL | 591 | 12 | 2 | 6 | 6.7 | CCCc1nc2c(C)cc(C(=O)NCCc3cc(OC)ccc3OC)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.ejmech.2012.01.009 | |||
| CHEMBL1945010 | 70378 | None | 0 | Rabbit | Functional | pKd | = | 8.5 | 8.5 | - | 2 | ChEMBL | 591 | 12 | 2 | 6 | 6.7 | CCCc1nc2c(C)cc(C(=O)NCCc3cc(OC)ccc3OC)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.ejmech.2012.01.009 | |||
| 9823146 | 19368 | None | 0 | Human | Functional | pKd | = | 8.5 | 8.5 | - | 1 | ChEMBL | 415 | 10 | 1 | 6 | 4.9 | CCCCc1nc(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n(CCCC)n1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL12909 | 19368 | None | 0 | Human | Functional | pKd | = | 8.5 | 8.5 | - | 1 | ChEMBL | 415 | 10 | 1 | 6 | 4.9 | CCCCc1nc(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n(CCCC)n1 | 10.1016/j.bmc.2010.10.043 | |||
| 1610 | 2347 | None | 64 | Human | Functional | pKd | = | 8.5 | 8.5 | -10 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2010.10.043 | |||
| 3941 | 2347 | None | 64 | Human | Functional | pKd | = | 8.5 | 8.5 | -10 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2010.10.043 | |||
| 3961 | 2347 | None | 64 | Human | Functional | pKd | = | 8.5 | 8.5 | -10 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2010.10.043 | |||
| 3961.0 | 2347 | None | 64 | Human | Functional | pKd | = | 8.5 | 8.5 | -10 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2010.10.043 | |||
| 590 | 2347 | None | 64 | Human | Functional | pKd | = | 8.5 | 8.5 | -10 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL191 | 2347 | None | 64 | Human | Functional | pKd | = | 8.5 | 8.5 | -10 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2010.10.043 | |||
| DB00678 | 2347 | None | 64 | Human | Functional | pKd | = | 8.5 | 8.5 | -10 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.bmc.2010.10.043 | |||
| 9801627 | 52077 | None | 15 | Rabbit | Functional | pKd | = | 8.5 | 8.5 | - | 0 | ChEMBL | 409 | 7 | 1 | 6 | 4.7 | CCCCc1nc2cccnc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL158725 | 52077 | None | 15 | Rabbit | Functional | pKd | = | 8.5 | 8.5 | - | 0 | ChEMBL | 409 | 7 | 1 | 6 | 4.7 | CCCCc1nc2cccnc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| 17748251 | 93400 | None | 0 | Rabbit | Functional | pKd | = | 8.4 | 8.4 | - | 1 | ChEMBL | 455 | 8 | 1 | 8 | 4.2 | CCCCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-n2cccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2007.02.042 | |||
| CHEMBL245444 | 93400 | None | 0 | Rabbit | Functional | pKd | = | 8.4 | 8.4 | - | 1 | ChEMBL | 455 | 8 | 1 | 8 | 4.2 | CCCCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-n2cccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2007.02.042 | |||
| 44570266 | 190924 | None | 0 | Rat | Functional | pKd | = | 8.4 | 8.4 | - | 0 | ChEMBL | 519 | 9 | 2 | 5 | 5.9 | CCCCc1nc2cc(S(=O)(=O)NC(C)(C)C)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2008.10.056 | |||
| CHEMBL518388 | 190924 | None | 0 | Rat | Functional | pKd | = | 8.4 | 8.4 | - | 0 | ChEMBL | 519 | 9 | 2 | 5 | 5.9 | CCCCc1nc2cc(S(=O)(=O)NC(C)(C)C)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2008.10.056 | |||
| 9938452 | 117979 | None | 0 | Rabbit | Functional | pKd | = | 8.4 | 8.4 | - | 0 | ChEMBL | 591 | 13 | 2 | 6 | 8.1 | CCCCCc1nc(SCc2ccc(-c3ccccc3C(=O)O)cc2)nn1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL340315 | 117979 | None | 0 | Rabbit | Functional | pKd | = | 8.4 | 8.4 | - | 0 | ChEMBL | 591 | 13 | 2 | 6 | 8.1 | CCCCCc1nc(SCc2ccc(-c3ccccc3C(=O)O)cc2)nn1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| 17748251 | 93400 | None | 0 | Rabbit | Functional | pKd | = | 8.4 | 8.4 | - | 1 | ChEMBL | 455 | 8 | 1 | 8 | 4.2 | CCCCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-n2cccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL245444 | 93400 | None | 0 | Rabbit | Functional | pKd | = | 8.4 | 8.4 | - | 1 | ChEMBL | 455 | 8 | 1 | 8 | 4.2 | CCCCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-n2cccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| 44438868 | 92038 | None | 0 | Rabbit | Functional | pKd | = | 7.5 | 7.5 | - | 1 | ChEMBL | 427 | 6 | 1 | 8 | 3.4 | CCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-n2cccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2007.02.042 | |||
| CHEMBL241684 | 92038 | None | 0 | Rabbit | Functional | pKd | = | 7.5 | 7.5 | - | 1 | ChEMBL | 427 | 6 | 1 | 8 | 3.4 | CCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-n2cccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2007.02.042 | |||
| 44438901 | 92021 | None | 0 | Rabbit | Functional | pKd | = | 6.5 | 6.5 | - | 1 | ChEMBL | 389 | 6 | 2 | 5 | 3.8 | CCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-n2cccc2C(=O)O)cc1 | 10.1016/j.bmcl.2007.02.042 | |||
| CHEMBL241529 | 92021 | None | 0 | Rabbit | Functional | pKd | = | 6.5 | 6.5 | - | 1 | ChEMBL | 389 | 6 | 2 | 5 | 3.8 | CCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-n2cccc2C(=O)O)cc1 | 10.1016/j.bmcl.2007.02.042 | |||
| 25112616 | 185998 | None | 0 | Rat | Functional | pKd | = | 6.5 | 6.5 | - | 0 | ChEMBL | 537 | 9 | 2 | 4 | 7.7 | CCCCc1nc2cc(NC(=O)c3ccccc3Cl)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.ejmech.2007.11.008 | |||
| CHEMBL486848 | 185998 | None | 0 | Rat | Functional | pKd | = | 6.5 | 6.5 | - | 0 | ChEMBL | 537 | 9 | 2 | 4 | 7.7 | CCCCc1nc2cc(NC(=O)c3ccccc3Cl)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.ejmech.2007.11.008 | |||
| CHEMBL415157 | 215634 | None | 0 | Rabbit | Functional | pKd | = | 7.4 | 7.4 | - | 0 | ChEMBL | None | None | None | CCCCCCCCCCCCCCCC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)O)C(C)C)cc1 | 10.1021/jm9608669 | |||||
| 1610 | 2347 | None | 64 | Rat | Functional | pKd | = | 7.4 | 7.4 | -9 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.ejmech.2007.11.008 | |||
| 3941 | 2347 | None | 64 | Rat | Functional | pKd | = | 7.4 | 7.4 | -9 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.ejmech.2007.11.008 | |||
| 3961 | 2347 | None | 64 | Rat | Functional | pKd | = | 7.4 | 7.4 | -9 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.ejmech.2007.11.008 | |||
| 3961.0 | 2347 | None | 64 | Rat | Functional | pKd | = | 7.4 | 7.4 | -9 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.ejmech.2007.11.008 | |||
| 590 | 2347 | None | 64 | Rat | Functional | pKd | = | 7.4 | 7.4 | -9 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.ejmech.2007.11.008 | |||
| CHEMBL191 | 2347 | None | 64 | Rat | Functional | pKd | = | 7.4 | 7.4 | -9 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.ejmech.2007.11.008 | |||
| DB00678 | 2347 | None | 64 | Rat | Functional | pKd | = | 7.4 | 7.4 | -9 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/j.ejmech.2007.11.008 | |||
| 25112614 | 191732 | None | 0 | Rat | Functional | pKd | = | 6.4 | 6.4 | - | 0 | ChEMBL | 483 | 11 | 2 | 4 | 6.9 | CCCCC(=O)Nc1ccc2c(c1)nc(CCCC)n2Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.ejmech.2007.11.008 | |||
| CHEMBL519564 | 191732 | None | 0 | Rat | Functional | pKd | = | 6.4 | 6.4 | - | 0 | ChEMBL | 483 | 11 | 2 | 4 | 6.9 | CCCCC(=O)Nc1ccc2c(c1)nc(CCCC)n2Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.ejmech.2007.11.008 | |||
| 70686410 | 76357 | None | 0 | Rabbit | Functional | pKd | = | 8.3 | 8.3 | - | 1 | ChEMBL | 555 | 10 | 2 | 6 | 6.2 | CCCc1nc2c(C)cc(C(=O)NCCc3ccccc3)cc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmc.2012.05.056 | |||
| CHEMBL2058859 | 76357 | None | 0 | Rabbit | Functional | pKd | = | 8.3 | 8.3 | - | 1 | ChEMBL | 555 | 10 | 2 | 6 | 6.2 | CCCc1nc2c(C)cc(C(=O)NCCc3ccccc3)cc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmc.2012.05.056 | |||
| 57380414 | 70554 | None | 0 | Rabbit | Functional | pKd | = | 8.3 | 8.3 | - | 2 | ChEMBL | 547 | 10 | 2 | 5 | 6.6 | CCCc1nc2c(C)cc(C(=O)NCc3ccc(OC)cc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.ejmech.2012.01.009 | |||
| CHEMBL1947131 | 70554 | None | 0 | Rabbit | Functional | pKd | = | 8.3 | 8.3 | - | 2 | ChEMBL | 547 | 10 | 2 | 5 | 6.6 | CCCc1nc2c(C)cc(C(=O)NCc3ccc(OC)cc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.ejmech.2012.01.009 | |||
| 44339988 | 161101 | None | 0 | Rabbit | Functional | pKd | = | 5.3 | 5.3 | - | 0 | ChEMBL | 989 | 27 | 12 | 12 | -1.1 | CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O)C(C)C | 10.1021/jm9608669 | |||
| CHEMBL411624 | 161101 | None | 0 | Rabbit | Functional | pKd | = | 5.3 | 5.3 | - | 0 | ChEMBL | 989 | 27 | 12 | 12 | -1.1 | CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O)C(C)C | 10.1021/jm9608669 | |||
| 132562 | 99737 | None | 5 | Rabbit | Functional | pKd | = | 8.3 | 8.3 | - | 1 | ChEMBL | 407 | 6 | 1 | 5 | 5.2 | CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccccc2n1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL284536 | 99737 | None | 5 | Rabbit | Functional | pKd | = | 8.3 | 8.3 | - | 1 | ChEMBL | 407 | 6 | 1 | 5 | 5.2 | CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccccc2n1 | 10.1016/j.bmc.2010.10.043 | |||
| 53325868 | 57618 | None | 0 | Rabbit | Functional | pKd | = | 8.3 | 8.3 | - | 0 | ChEMBL | 515 | 12 | 2 | 6 | 5.8 | CCCCc1nc2cc(OC)cc(C(=O)O)c2n1Cc1ccc(N(CC)C(C(=O)O)c2ccccc2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL1668002 | 57618 | None | 0 | Rabbit | Functional | pKd | = | 8.3 | 8.3 | - | 0 | ChEMBL | 515 | 12 | 2 | 6 | 5.8 | CCCCc1nc2cc(OC)cc(C(=O)O)c2n1Cc1ccc(N(CC)C(C(=O)O)c2ccccc2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| 44438880 | 92020 | None | 0 | Rabbit | Functional | pKd | = | 8.2 | 8.2 | - | 1 | ChEMBL | 427 | 7 | 2 | 7 | 3.7 | CCCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-n2cccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2007.02.042 | |||
| CHEMBL241523 | 92020 | None | 0 | Rabbit | Functional | pKd | = | 8.2 | 8.2 | - | 1 | ChEMBL | 427 | 7 | 2 | 7 | 3.7 | CCCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-n2cccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2007.02.042 | |||
| 132706 | 1676 | None | 20 | Human | Functional | pKd | = | 8.2 | 8.2 | -1 | 2 | ChEMBL | 416 | 10 | 1 | 7 | 4.3 | CCCCc1nc(nn1Cc1ccc(nc1)c1ccccc1c1n[nH]nn1)CCCC | 10.1016/j.bmc.2010.10.043 | |||
| 6896 | 1676 | None | 20 | Human | Functional | pKd | = | 8.2 | 8.2 | -1 | 2 | ChEMBL | 416 | 10 | 1 | 7 | 4.3 | CCCCc1nc(nn1Cc1ccc(nc1)c1ccccc1c1n[nH]nn1)CCCC | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL315021 | 1676 | None | 20 | Human | Functional | pKd | = | 8.2 | 8.2 | -1 | 2 | ChEMBL | 416 | 10 | 1 | 7 | 4.3 | CCCCc1nc(nn1Cc1ccc(nc1)c1ccccc1c1n[nH]nn1)CCCC | 10.1016/j.bmc.2010.10.043 | |||
| DB01342 | 1676 | None | 20 | Human | Functional | pKd | = | 8.2 | 8.2 | -1 | 2 | ChEMBL | 416 | 10 | 1 | 7 | 4.3 | CCCCc1nc(nn1Cc1ccc(nc1)c1ccccc1c1n[nH]nn1)CCCC | 10.1016/j.bmc.2010.10.043 | |||
| 57380412 | 70552 | None | 0 | Rabbit | Functional | pKd | = | 8.2 | 8.2 | - | 2 | ChEMBL | 547 | 10 | 2 | 5 | 6.6 | CCCc1nc2c(C)cc(C(=O)NCc3ccccc3OC)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.ejmech.2012.01.009 | |||
| CHEMBL1947129 | 70552 | None | 0 | Rabbit | Functional | pKd | = | 8.2 | 8.2 | - | 2 | ChEMBL | 547 | 10 | 2 | 5 | 6.6 | CCCc1nc2c(C)cc(C(=O)NCc3ccccc3OC)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.ejmech.2012.01.009 | |||
| 44570264 | 190816 | None | 0 | Rat | Functional | pKd | = | 7.2 | 7.2 | - | 0 | ChEMBL | 505 | 10 | 2 | 5 | 5.5 | CCCCc1nc2cc(S(=O)(=O)NC(C)C)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2008.10.056 | |||
| CHEMBL518230 | 190816 | None | 0 | Rat | Functional | pKd | = | 7.2 | 7.2 | - | 0 | ChEMBL | 505 | 10 | 2 | 5 | 5.5 | CCCCc1nc2cc(S(=O)(=O)NC(C)C)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2008.10.056 | |||
| 25112617 | 186863 | None | 0 | Rat | Functional | pKd | = | 6.2 | 6.2 | - | 0 | ChEMBL | 537 | 9 | 2 | 4 | 7.7 | CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.ejmech.2007.11.008 | |||
| CHEMBL488883 | 186863 | None | 0 | Rat | Functional | pKd | = | 6.2 | 6.2 | - | 0 | ChEMBL | 537 | 9 | 2 | 4 | 7.7 | CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.ejmech.2007.11.008 | |||
| CHEMBL268804 | 213223 | None | 0 | Rabbit | Functional | pKd | = | 8.1 | 8.1 | - | 0 | ChEMBL | None | None | None | CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)O)C(C)C)C(C)C | 10.1021/jm9608669 | |||||
| 44438872 | 169209 | None | 0 | Rabbit | Functional | pKd | = | 7.1 | 7.1 | - | 1 | ChEMBL | 455 | 8 | 1 | 8 | 4.2 | CCCc1nc2cccc(C(=O)OCC)c2n1Cc1ccc(-n2cccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2007.02.042 | |||
| CHEMBL440051 | 169209 | None | 0 | Rabbit | Functional | pKd | = | 7.1 | 7.1 | - | 1 | ChEMBL | 455 | 8 | 1 | 8 | 4.2 | CCCc1nc2cccc(C(=O)OCC)c2n1Cc1ccc(-n2cccc2-c2nnn[nH]2)cc1 | 10.1016/j.bmcl.2007.02.042 | |||
| 15069306 | 179168 | None | 0 | Rat | Functional | pKd | = | 7.1 | 7.1 | - | 0 | ChEMBL | 469 | 10 | 2 | 4 | 6.5 | CCCCc1nc2cc(NC(=O)CCC)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.ejmech.2007.11.008 | |||
| CHEMBL471505 | 179168 | None | 0 | Rat | Functional | pKd | = | 7.1 | 7.1 | - | 0 | ChEMBL | 469 | 10 | 2 | 4 | 6.5 | CCCCc1nc2cc(NC(=O)CCC)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.ejmech.2007.11.008 | |||
| 44570217 | 183340 | None | 0 | Rat | Functional | pKd | = | 7.1 | 7.1 | - | 0 | ChEMBL | 505 | 11 | 2 | 5 | 5.5 | CCCCc1nc2cc(S(=O)(=O)NCCC)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2008.10.056 | |||
| CHEMBL479626 | 183340 | None | 0 | Rat | Functional | pKd | = | 7.1 | 7.1 | - | 0 | ChEMBL | 505 | 11 | 2 | 5 | 5.5 | CCCCc1nc2cc(S(=O)(=O)NCCC)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2008.10.056 | |||
| 44570216 | 190166 | None | 0 | Rat | Functional | pKd | = | 7.1 | 7.1 | - | 0 | ChEMBL | 491 | 10 | 2 | 5 | 5.1 | CCCCc1nc2cc(S(=O)(=O)NCC)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2008.10.056 | |||
| CHEMBL517230 | 190166 | None | 0 | Rat | Functional | pKd | = | 7.1 | 7.1 | - | 0 | ChEMBL | 491 | 10 | 2 | 5 | 5.1 | CCCCc1nc2cc(S(=O)(=O)NCC)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.bmc.2008.10.056 | |||
| 6918269 | 98523 | None | 10 | Rabbit | Functional | pKd | = | 8.0 | 8.0 | - | 2 | ChEMBL | 508 | 9 | 1 | 7 | 5.5 | CCCCc1nc2ccc(C(C)(C)OC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL275875 | 98523 | None | 10 | Rabbit | Functional | pKd | = | 8.0 | 8.0 | - | 2 | ChEMBL | 508 | 9 | 1 | 7 | 5.5 | CCCCc1nc2ccc(C(C)(C)OC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| CHEMBL295959 | 98523 | None | 10 | Rabbit | Functional | pKd | = | 8.0 | 8.0 | - | 2 | ChEMBL | 508 | 9 | 1 | 7 | 5.5 | CCCCc1nc2ccc(C(C)(C)OC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/j.bmc.2010.10.043 | |||
| 1610 | 2347 | None | 64 | Rat | Functional | pKi | = | 8.1 | 8.1 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00103a014 | |||
| 3941 | 2347 | None | 64 | Rat | Functional | pKi | = | 8.1 | 8.1 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00103a014 | |||
| 3961 | 2347 | None | 64 | Rat | Functional | pKi | = | 8.1 | 8.1 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00103a014 | |||
| 3961.0 | 2347 | None | 64 | Rat | Functional | pKi | = | 8.1 | 8.1 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00103a014 | |||
| 590 | 2347 | None | 64 | Rat | Functional | pKi | = | 8.1 | 8.1 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00103a014 | |||
| CHEMBL191 | 2347 | None | 64 | Rat | Functional | pKi | = | 8.1 | 8.1 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00103a014 | |||
| DB00678 | 2347 | None | 64 | Rat | Functional | pKi | = | 8.1 | 8.1 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00103a014 | |||
| 1610 | 2347 | None | 64 | Rat | Functional | pKi | = | 7.0 | 7.0 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00103a014 | |||
| 3941 | 2347 | None | 64 | Rat | Functional | pKi | = | 7.0 | 7.0 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00103a014 | |||
| 3961 | 2347 | None | 64 | Rat | Functional | pKi | = | 7.0 | 7.0 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00103a014 | |||
| 3961.0 | 2347 | None | 64 | Rat | Functional | pKi | = | 7.0 | 7.0 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00103a014 | |||
| 590 | 2347 | None | 64 | Rat | Functional | pKi | = | 7.0 | 7.0 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00103a014 | |||
| CHEMBL191 | 2347 | None | 64 | Rat | Functional | pKi | = | 7.0 | 7.0 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00103a014 | |||
| DB00678 | 2347 | None | 64 | Rat | Functional | pKi | = | 7.0 | 7.0 | -19 | 11 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/jm00103a014 | |||
| 6917 | 132 | None | 0 | Human | Functional | pA2 | = | 7.8 | 7.8 | - | 1 | Guide to Pharmacology | 348 | 7 | 1 | 3 | 4.9 | CCCCc1cnc(n1Cc1ccc(cc1)c1ccccc1C)C(=O)O | 22889560 | |||
| 73755250 | 132 | None | 0 | Human | Functional | pA2 | = | 7.8 | 7.8 | - | 1 | Guide to Pharmacology | 348 | 7 | 1 | 3 | 4.9 | CCCCc1cnc(n1Cc1ccc(cc1)c1ccccc1C)C(=O)O | 22889560 | |||
| 11943 | 3875 | None | 0 | Human | Functional | pEC50 | = | 5.7 | 5.7 | -14 | 2 | Guide to Pharmacology | None | None | None | None | None | |||||
| 145925549 | 3875 | None | 0 | Human | Functional | pEC50 | = | 5.7 | 5.7 | -14 | 2 | Guide to Pharmacology | None | None | None | None | None | |||||
| CHEMBL4438122 | 3875 | None | 0 | Human | Functional | pEC50 | = | 5.7 | 5.7 | -14 | 2 | Guide to Pharmacology | None | None | None | None | None | |||||
| 123814 | 421 | None | 29 | Human | Functional | pEC50 | = | 5.9 | 5.9 | - | 1 | Guide to Pharmacology | None | None | None | None | 12006574 | |||||
| 5368 | 421 | None | 29 | Human | Functional | pEC50 | = | 5.9 | 5.9 | - | 1 | Guide to Pharmacology | None | None | None | None | 12006574 | |||||
| CHEMBL261120 | 421 | None | 29 | Human | Functional | pEC50 | = | 5.9 | 5.9 | - | 1 | Guide to Pharmacology | None | None | None | None | 12006574 | |||||
| 6894 | 418 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -56 | 3 | Guide to Pharmacology | None | None | None | None | 21464395 | |||||
| 91691124 | 418 | None | 0 | Human | Functional | pEC50 | = | 8.2 | 8.2 | -56 | 3 | Guide to Pharmacology | None | None | None | None | 21464395 | |||||
| 6905 | 3485 | None | 0 | Rat | Functional | pEC50 | = | 8.8 | 8.8 | - | 1 | Guide to Pharmacology | None | None | None | None | 7499361 | |||||
| 135409642 | 220221 | None | 0 | Bovine | Functional | pIC50 | = | 8.2 | 8.2 | 1 | 2 | Drug Central | 568 | 9 | 1 | 11 | 4.7 | CCOC1=NC2=CC=CC(C(=O)OCC3=C(C)OC(=O)O3)=C2N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NOC(=O)N1 | None | |||
| 135409642.0 | 220221 | None | 0 | Bovine | Functional | pIC50 | = | 8.2 | 8.2 | 1 | 2 | Drug Central | 568 | 9 | 1 | 11 | 4.7 | CCOC1=NC2=CC=CC(C(=O)OCC3=C(C)OC(=O)O3)=C2N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NOC(=O)N1 | None | |||
| CHEMBL2028661 | 220221 | None | 0 | Bovine | Functional | pIC50 | = | 8.2 | 8.2 | 1 | 2 | Drug Central | 568 | 9 | 1 | 11 | 4.7 | CCOC1=NC2=CC=CC(C(=O)OCC3=C(C)OC(=O)O3)=C2N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NOC(=O)N1 | None | |||
| DB08822 | 220221 | None | 0 | Bovine | Functional | pIC50 | = | 8.2 | 8.2 | 1 | 2 | Drug Central | 568 | 9 | 1 | 11 | 4.7 | CCOC1=NC2=CC=CC(C(=O)OCC3=C(C)OC(=O)O3)=C2N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NOC(=O)N1 | None | |||
| 2540 | 4402 | None | 68 | Bovine | Functional | pIC50 | = | 8.2 | 8.2 | 1 | 28 | Drug Central | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | None | |||
| CHEMBL1014 | 4402 | None | 68 | Bovine | Functional | pIC50 | = | 8.2 | 8.2 | 1 | 28 | Drug Central | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | None | |||
| 3839 | 3757 | None | 53 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 794 | 2 | Drug Central | 411 | 4 | 1 | 6 | 3.4 | Cc1nc(C)c2c(n1)N(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)CC2 | None | |||
| 60919 | 3757 | None | 53 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 794 | 2 | Drug Central | 411 | 4 | 1 | 6 | 3.4 | Cc1nc(C)c2c(n1)N(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)CC2 | None | |||
| 6898 | 3757 | None | 53 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 794 | 2 | Drug Central | 411 | 4 | 1 | 6 | 3.4 | Cc1nc(C)c2c(n1)N(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)CC2 | None | |||
| CHEMBL432162 | 3757 | None | 53 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 794 | 2 | Drug Central | 411 | 4 | 1 | 6 | 3.4 | Cc1nc(C)c2c(n1)N(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)CC2 | None | |||
| DB01349 | 3757 | None | 53 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 794 | 2 | Drug Central | 411 | 4 | 1 | 6 | 3.4 | Cc1nc(C)c2c(n1)N(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)CC2 | None | |||
| 130881 | 2921 | None | 65 | Bovine | Functional | pIC50 | = | 8.1 | 8.1 | -2 | 3 | Drug Central | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | None | |||
| 130881.0 | 2921 | None | 65 | Bovine | Functional | pIC50 | = | 8.1 | 8.1 | -2 | 3 | Drug Central | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | None | |||
| 1985 | 2921 | None | 65 | Bovine | Functional | pIC50 | = | 8.1 | 8.1 | -2 | 3 | Drug Central | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | None | |||
| 591 | 2921 | None | 65 | Bovine | Functional | pIC50 | = | 8.1 | 8.1 | -2 | 3 | Drug Central | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | None | |||
| CHEMBL1200692 | 2921 | None | 65 | Bovine | Functional | pIC50 | = | 8.1 | 8.1 | -2 | 3 | Drug Central | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | None | |||
| DB00275 | 2921 | None | 65 | Bovine | Functional | pIC50 | = | 8.1 | 8.1 | -2 | 3 | Drug Central | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | None | |||
| 130881 | 2921 | None | 65 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 2 | 3 | Drug Central | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | None | |||
| 130881.0 | 2921 | None | 65 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 2 | 3 | Drug Central | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | None | |||
| 1985 | 2921 | None | 65 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 2 | 3 | Drug Central | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | None | |||
| 591 | 2921 | None | 65 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 2 | 3 | Drug Central | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | None | |||
| CHEMBL1200692 | 2921 | None | 65 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 2 | 3 | Drug Central | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | None | |||
| DB00275 | 2921 | None | 65 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 2 | 3 | Drug Central | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | None | |||
| 135409642 | 220221 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -1 | 2 | Drug Central | 568 | 9 | 1 | 11 | 4.7 | CCOC1=NC2=CC=CC(C(=O)OCC3=C(C)OC(=O)O3)=C2N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NOC(=O)N1 | None | |||
| 135409642.0 | 220221 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -1 | 2 | Drug Central | 568 | 9 | 1 | 11 | 4.7 | CCOC1=NC2=CC=CC(C(=O)OCC3=C(C)OC(=O)O3)=C2N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NOC(=O)N1 | None | |||
| CHEMBL2028661 | 220221 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -1 | 2 | Drug Central | 568 | 9 | 1 | 11 | 4.7 | CCOC1=NC2=CC=CC(C(=O)OCC3=C(C)OC(=O)O3)=C2N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NOC(=O)N1 | None | |||
| DB08822 | 220221 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -1 | 2 | Drug Central | 568 | 9 | 1 | 11 | 4.7 | CCOC1=NC2=CC=CC(C(=O)OCC3=C(C)OC(=O)O3)=C2N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NOC(=O)N1 | None | |||
| 16133225 | 419 | None | 38 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -5 | 4 | Drug Central | None | None | None | None | None | |||||
| 172198 | 419 | None | 38 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -5 | 4 | Drug Central | None | None | None | None | None | |||||
| 172198.0 | 419 | None | 38 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -5 | 4 | Drug Central | None | None | None | None | None | |||||
| 2504 | 419 | None | 38 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -5 | 4 | Drug Central | None | None | None | None | None | |||||
| 45266664 | 419 | None | 38 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -5 | 4 | Drug Central | None | None | None | None | None | |||||
| 5272 | 419 | None | 38 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -5 | 4 | Drug Central | None | None | None | None | None | |||||
| CHEMBL408403 | 419 | None | 38 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -5 | 4 | Drug Central | None | None | None | None | None | |||||
| DB11842 | 419 | None | 38 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -5 | 4 | Drug Central | None | None | None | None | None | |||||
| 9870652 | 70916 | None | 54 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -15 | 2 | Drug Central | 501 | 9 | 1 | 7 | 4.2 | CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | None | |||
| 9870652.0 | 70916 | None | 54 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -15 | 2 | Drug Central | 501 | 9 | 1 | 7 | 4.2 | CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | None | |||
| CHEMBL1951143 | 70916 | None | 54 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -15 | 2 | Drug Central | 501 | 9 | 1 | 7 | 4.2 | CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | None | |||
| DB09279 | 70916 | None | 54 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -15 | 2 | Drug Central | 501 | 9 | 1 | 7 | 4.2 | CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | None | |||
| 1610 | 2347 | None | 64 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -10 | 11 | Drug Central | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | None | |||
| 3941 | 2347 | None | 64 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -10 | 11 | Drug Central | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | None | |||
| 3961 | 2347 | None | 64 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -10 | 11 | Drug Central | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | None | |||
| 3961.0 | 2347 | None | 64 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -10 | 11 | Drug Central | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | None | |||
| 590 | 2347 | None | 64 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -10 | 11 | Drug Central | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | None | |||
| CHEMBL191 | 2347 | None | 64 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -10 | 11 | Drug Central | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | None | |||
| DB00678 | 2347 | None | 64 | Human | Functional | pIC50 | = | 8.0 | 8.0 | -10 | 11 | Drug Central | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | None | |||
| 3936 | 2210 | None | 32 | Human | Functional | pIC50 | = | 7.9 | 7.9 | -1 | 6 | Guide to Pharmacology | 582 | 11 | 1 | 8 | 6.8 | CCCCOC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1c(CC)nc2c1nc(C)cc2C)CC(C)C | 7829475 | |||
| 6603900 | 2210 | None | 32 | Human | Functional | pIC50 | = | 7.9 | 7.9 | -1 | 6 | Guide to Pharmacology | 582 | 11 | 1 | 8 | 6.8 | CCCCOC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1c(CC)nc2c1nc(C)cc2C)CC(C)C | 7829475 | |||
| CHEMBL288174 | 2210 | None | 32 | Human | Functional | pIC50 | = | 7.9 | 7.9 | -1 | 6 | Guide to Pharmacology | 582 | 11 | 1 | 8 | 6.8 | CCCCOC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1c(CC)nc2c1nc(C)cc2C)CC(C)C | 7829475 | |||
| 6895 | 2211 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | Guide to Pharmacology | 580 | 9 | 1 | 6 | 6.6 | CCc1nc2c(n1Cc1ccc(cc1)c1cc(ccc1S(=O)(=O)NC(=O)c1ccccc1)CC(C)C)nc(cc2C)C | 9383393 | |||
| 73755245 | 2211 | None | 0 | Human | Functional | pIC50 | = | 7.9 | 7.9 | - | 1 | Guide to Pharmacology | 580 | 9 | 1 | 6 | 6.6 | CCc1nc2c(n1Cc1ccc(cc1)c1cc(ccc1S(=O)(=O)NC(=O)c1ccccc1)CC(C)C)nc(cc2C)C | 9383393 | |||
| 1610 | 2347 | None | 64 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -10 | 11 | Guide to Pharmacology | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 8372104 | |||
| 3941 | 2347 | None | 64 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -10 | 11 | Guide to Pharmacology | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 8372104 | |||
| 3961 | 2347 | None | 64 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -10 | 11 | Guide to Pharmacology | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 8372104 | |||
| 3961.0 | 2347 | None | 64 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -10 | 11 | Guide to Pharmacology | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 8372104 | |||
| 590 | 2347 | None | 64 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -10 | 11 | Guide to Pharmacology | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 8372104 | |||
| CHEMBL191 | 2347 | None | 64 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -10 | 11 | Guide to Pharmacology | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 8372104 | |||
| DB00678 | 2347 | None | 64 | Human | Functional | pIC50 | = | 8.1 | 8.1 | -10 | 11 | Guide to Pharmacology | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 8372104 | |||
| 139031070 | 2839 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | Guide to Pharmacology | 714 | 11 | 0 | 10 | 2.6 | CCCCc1n([c+]nc1Cc1ccc(cc1)c1ccccc1c1nnn(n1)[Na])Cc1ccc(cc1)c1ccccc1c1nnn(n1)[Na].[Br-] | 23376252 | |||
| 6911 | 2839 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | Guide to Pharmacology | 714 | 11 | 0 | 10 | 2.6 | CCCCc1n([c+]nc1Cc1ccc(cc1)c1ccccc1c1nnn(n1)[Na])Cc1ccc(cc1)c1ccccc1c1nnn(n1)[Na].[Br-] | 23376252 | |||
| 73755247 | 2839 | None | 0 | Human | Functional | pIC50 | = | 8.1 | 8.1 | - | 1 | Guide to Pharmacology | 714 | 11 | 0 | 10 | 2.6 | CCCCc1n([c+]nc1Cc1ccc(cc1)c1ccccc1c1nnn(n1)[Na])Cc1ccc(cc1)c1ccccc1c1nnn(n1)[Na].[Br-] | 23376252 | |||
| 130881 | 2921 | None | 65 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 2 | 3 | Guide to Pharmacology | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | 11451212 | |||
| 130881.0 | 2921 | None | 65 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 2 | 3 | Guide to Pharmacology | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | 11451212 | |||
| 1985 | 2921 | None | 65 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 2 | 3 | Guide to Pharmacology | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | 11451212 | |||
| 591 | 2921 | None | 65 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 2 | 3 | Guide to Pharmacology | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | 11451212 | |||
| CHEMBL1200692 | 2921 | None | 65 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 2 | 3 | Guide to Pharmacology | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | 11451212 | |||
| DB00275 | 2921 | None | 65 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 2 | 3 | Guide to Pharmacology | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | 11451212 | |||
| 135415867 | 560 | None | 64 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 53 | 2 | Guide to Pharmacology | 456 | 7 | 2 | 7 | 4.2 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(ccc2)C(=O)O | 24739538 | |||
| 135415867 | 560 | None | 64 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 53 | 2 | Guide to Pharmacology | 456 | 7 | 2 | 7 | 4.2 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(ccc2)C(=O)O | 24742498 | |||
| 135415867.0 | 560 | None | 64 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 53 | 2 | Guide to Pharmacology | 456 | 7 | 2 | 7 | 4.2 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(ccc2)C(=O)O | 24739538 | |||
| 135415867.0 | 560 | None | 64 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 53 | 2 | Guide to Pharmacology | 456 | 7 | 2 | 7 | 4.2 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(ccc2)C(=O)O | 24742498 | |||
| 6901 | 560 | None | 64 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 53 | 2 | Guide to Pharmacology | 456 | 7 | 2 | 7 | 4.2 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(ccc2)C(=O)O | 24739538 | |||
| 6901 | 560 | None | 64 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 53 | 2 | Guide to Pharmacology | 456 | 7 | 2 | 7 | 4.2 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(ccc2)C(=O)O | 24742498 | |||
| CHEMBL57242 | 560 | None | 64 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 53 | 2 | Guide to Pharmacology | 456 | 7 | 2 | 7 | 4.2 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(ccc2)C(=O)O | 24739538 | |||
| CHEMBL57242 | 560 | None | 64 | Human | Functional | pIC50 | = | 8.1 | 8.1 | 53 | 2 | Guide to Pharmacology | 456 | 7 | 2 | 7 | 4.2 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(ccc2)C(=O)O | 24742498 | |||
| 6909 | 2408 | None | 0 | Human | Functional | pIC50 | = | 8.2 | 8.2 | - | 1 | Guide to Pharmacology | 642 | 14 | 4 | 9 | 3.7 | CCCCCC[C@@H](C(=O)N1C[C@H](C[C@H]1C(=O)O)Oc1ccc(cc1)C(=O)O)n1cnc(c1)NC(=O)c1ccccc1S(=O)(=O)O | 11303957 | |||
| 73755246 | 2408 | None | 0 | Human | Functional | pIC50 | = | 8.2 | 8.2 | - | 1 | Guide to Pharmacology | 642 | 14 | 4 | 9 | 3.7 | CCCCCC[C@@H](C(=O)N1C[C@H](C[C@H]1C(=O)O)Oc1ccc(cc1)C(=O)O)n1cnc(c1)NC(=O)c1ccccc1S(=O)(=O)O | 11303957 | |||
| 10416728 | 2409 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | Guide to Pharmacology | 642 | 14 | 4 | 9 | 3.7 | CCCCCC[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)O)Oc1ccc(cc1)C(=O)O)n1cnc(c1)NC(=O)c1ccccc1S(=O)(=O)O | 11303957 | |||
| 6910 | 2409 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | Guide to Pharmacology | 642 | 14 | 4 | 9 | 3.7 | CCCCCC[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)O)Oc1ccc(cc1)C(=O)O)n1cnc(c1)NC(=O)c1ccccc1S(=O)(=O)O | 11303957 | |||
| CHEMBL344662 | 2409 | None | 0 | Human | Functional | pIC50 | = | 8.3 | 8.3 | - | 1 | Guide to Pharmacology | 642 | 14 | 4 | 9 | 3.7 | CCCCCC[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)O)Oc1ccc(cc1)C(=O)O)n1cnc(c1)NC(=O)c1ccccc1S(=O)(=O)O | 11303957 | |||
| 132706 | 1676 | None | 20 | Rat | Functional | pIC50 | = | 8.4 | 8.4 | 1 | 2 | Guide to Pharmacology | 416 | 10 | 1 | 7 | 4.3 | CCCCc1nc(nn1Cc1ccc(nc1)c1ccccc1c1n[nH]nn1)CCCC | 7505365 | |||
| 6896 | 1676 | None | 20 | Rat | Functional | pIC50 | = | 8.4 | 8.4 | 1 | 2 | Guide to Pharmacology | 416 | 10 | 1 | 7 | 4.3 | CCCCc1nc(nn1Cc1ccc(nc1)c1ccccc1c1n[nH]nn1)CCCC | 7505365 | |||
| CHEMBL315021 | 1676 | None | 20 | Rat | Functional | pIC50 | = | 8.4 | 8.4 | 1 | 2 | Guide to Pharmacology | 416 | 10 | 1 | 7 | 4.3 | CCCCc1nc(nn1Cc1ccc(nc1)c1ccccc1c1n[nH]nn1)CCCC | 7505365 | |||
| DB01342 | 1676 | None | 20 | Rat | Functional | pIC50 | = | 8.4 | 8.4 | 1 | 2 | Guide to Pharmacology | 416 | 10 | 1 | 7 | 4.3 | CCCCc1nc(nn1Cc1ccc(nc1)c1ccccc1c1n[nH]nn1)CCCC | 7505365 | |||
| 2583 | 3776 | None | 69 | Human | Functional | pIC50 | = | 8.4 | 8.4 | -1 | 16 | Guide to Pharmacology | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 9878991 | |||
| 592 | 3776 | None | 69 | Human | Functional | pIC50 | = | 8.4 | 8.4 | -1 | 16 | Guide to Pharmacology | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 9878991 | |||
| 65999 | 3776 | None | 69 | Human | Functional | pIC50 | = | 8.4 | 8.4 | -1 | 16 | Guide to Pharmacology | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 9878991 | |||
| 65999.0 | 3776 | None | 69 | Human | Functional | pIC50 | = | 8.4 | 8.4 | -1 | 16 | Guide to Pharmacology | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 9878991 | |||
| CHEMBL1017 | 3776 | None | 69 | Human | Functional | pIC50 | = | 8.4 | 8.4 | -1 | 16 | Guide to Pharmacology | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 9878991 | |||
| DB00966 | 3776 | None | 69 | Human | Functional | pIC50 | = | 8.4 | 8.4 | -1 | 16 | Guide to Pharmacology | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 9878991 | |||
| 4673492 | 4138 | None | 6 | Guinea pig | Functional | pIC50 | = | 8.4 | 8.4 | -6 | 3 | Guide to Pharmacology | 438 | 6 | 1 | 5 | 4.5 | CCc1nc(CC)c2c(c1)N(Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)CC2 | 8576904 | |||
| 8324 | 4138 | None | 6 | Guinea pig | Functional | pIC50 | = | 8.4 | 8.4 | -6 | 3 | Guide to Pharmacology | 438 | 6 | 1 | 5 | 4.5 | CCc1nc(CC)c2c(c1)N(Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)CC2 | 8576904 | |||
| CHEMBL159096 | 4138 | None | 6 | Guinea pig | Functional | pIC50 | = | 8.4 | 8.4 | -6 | 3 | Guide to Pharmacology | 438 | 6 | 1 | 5 | 4.5 | CCc1nc(CC)c2c(c1)N(Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)CC2 | 8576904 | |||
| 108185 | 1614 | None | 50 | Human | Functional | pIC50 | = | 8.4 | 8.4 | 3 | 5 | Guide to Pharmacology | 436 | 8 | 2 | 6 | 4.5 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl | 10193788 | |||
| 108185 | 1614 | None | 50 | Human | Functional | pIC50 | = | 8.4 | 8.4 | 3 | 5 | Guide to Pharmacology | 436 | 8 | 2 | 6 | 4.5 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl | 8372104 | |||
| 586 | 1614 | None | 50 | Human | Functional | pIC50 | = | 8.4 | 8.4 | 3 | 5 | Guide to Pharmacology | 436 | 8 | 2 | 6 | 4.5 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl | 10193788 | |||
| 586 | 1614 | None | 50 | Human | Functional | pIC50 | = | 8.4 | 8.4 | 3 | 5 | Guide to Pharmacology | 436 | 8 | 2 | 6 | 4.5 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl | 8372104 | |||
| CHEMBL907 | 1614 | None | 50 | Human | Functional | pIC50 | = | 8.4 | 8.4 | 3 | 5 | Guide to Pharmacology | 436 | 8 | 2 | 6 | 4.5 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl | 10193788 | |||
| CHEMBL907 | 1614 | None | 50 | Human | Functional | pIC50 | = | 8.4 | 8.4 | 3 | 5 | Guide to Pharmacology | 436 | 8 | 2 | 6 | 4.5 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl | 8372104 | |||
| 44299731 | 420 | None | 0 | Human | Functional | pIC50 | = | 8.5 | 8.5 | -2 | 2 | Guide to Pharmacology | None | None | None | None | None | |||||
| 585 | 420 | None | 0 | Human | Functional | pIC50 | = | 8.5 | 8.5 | -2 | 2 | Guide to Pharmacology | None | None | None | None | None | |||||
| CHEMBL56448 | 420 | None | 0 | Human | Functional | pIC50 | = | 8.5 | 8.5 | -2 | 2 | Guide to Pharmacology | None | None | None | None | None | |||||
| 6917 | 132 | None | 0 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | Guide to Pharmacology | 348 | 7 | 1 | 3 | 4.9 | CCCCc1cnc(n1Cc1ccc(cc1)c1ccccc1C)C(=O)O | 22889560 | |||
| 73755250 | 132 | None | 0 | Human | Functional | pIC50 | = | 8.5 | 8.5 | - | 1 | Guide to Pharmacology | 348 | 7 | 1 | 3 | 4.9 | CCCCc1cnc(n1Cc1ccc(cc1)c1ccccc1C)C(=O)O | 22889560 | |||
| 1037 | 1578 | None | 44 | Human | Functional | pIC50 | = | 8.6 | 8.6 | -1 | 3 | Guide to Pharmacology | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 1309870 | |||
| 3940 | 1578 | None | 44 | Human | Functional | pIC50 | = | 8.6 | 8.6 | -1 | 3 | Guide to Pharmacology | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 1309870 | |||
| 5281037 | 1578 | None | 44 | Human | Functional | pIC50 | = | 8.6 | 8.6 | -1 | 3 | Guide to Pharmacology | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 1309870 | |||
| 5281037.0 | 1578 | None | 44 | Human | Functional | pIC50 | = | 8.6 | 8.6 | -1 | 3 | Guide to Pharmacology | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 1309870 | |||
| 588 | 1578 | None | 44 | Human | Functional | pIC50 | = | 8.6 | 8.6 | -1 | 3 | Guide to Pharmacology | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 1309870 | |||
| CHEMBL813 | 1578 | None | 44 | Human | Functional | pIC50 | = | 8.6 | 8.6 | -1 | 3 | Guide to Pharmacology | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 1309870 | |||
| DB00876 | 1578 | None | 44 | Human | Functional | pIC50 | = | 8.6 | 8.6 | -1 | 3 | Guide to Pharmacology | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 1309870 | |||
| 2806 | 3969 | None | 65 | Human | Functional | pIC50 | = | 8.6 | 8.6 | 1 | 4 | Guide to Pharmacology | 435 | 10 | 2 | 5 | 4.2 | CCCCC(=O)N([C@H](C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1 | 8577935 | |||
| 3937 | 3969 | None | 65 | Human | Functional | pIC50 | = | 8.6 | 8.6 | 1 | 4 | Guide to Pharmacology | 435 | 10 | 2 | 5 | 4.2 | CCCCC(=O)N([C@H](C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1 | 8577935 | |||
| 593 | 3969 | None | 65 | Human | Functional | pIC50 | = | 8.6 | 8.6 | 1 | 4 | Guide to Pharmacology | 435 | 10 | 2 | 5 | 4.2 | CCCCC(=O)N([C@H](C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1 | 8577935 | |||
| 60846 | 3969 | None | 65 | Human | Functional | pIC50 | = | 8.6 | 8.6 | 1 | 4 | Guide to Pharmacology | 435 | 10 | 2 | 5 | 4.2 | CCCCC(=O)N([C@H](C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1 | 8577935 | |||
| 60846.0 | 3969 | None | 65 | Human | Functional | pIC50 | = | 8.6 | 8.6 | 1 | 4 | Guide to Pharmacology | 435 | 10 | 2 | 5 | 4.2 | CCCCC(=O)N([C@H](C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1 | 8577935 | |||
| CHEMBL1069 | 3969 | None | 65 | Human | Functional | pIC50 | = | 8.6 | 8.6 | 1 | 4 | Guide to Pharmacology | 435 | 10 | 2 | 5 | 4.2 | CCCCC(=O)N([C@H](C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1 | 8577935 | |||
| DB00177 | 3969 | None | 65 | Human | Functional | pIC50 | = | 8.6 | 8.6 | 1 | 4 | Guide to Pharmacology | 435 | 10 | 2 | 5 | 4.2 | CCCCC(=O)N([C@H](C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1 | 8577935 | |||
| 1481 | 2066 | None | 66 | Human | Functional | pIC50 | = | 8.8 | 8.8 | -2 | 6 | Guide to Pharmacology | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10193788 | |||
| 3749 | 2066 | None | 66 | Human | Functional | pIC50 | = | 8.8 | 8.8 | -2 | 6 | Guide to Pharmacology | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10193788 | |||
| 3749.0 | 2066 | None | 66 | Human | Functional | pIC50 | = | 8.8 | 8.8 | -2 | 6 | Guide to Pharmacology | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10193788 | |||
| 589 | 2066 | None | 66 | Human | Functional | pIC50 | = | 8.8 | 8.8 | -2 | 6 | Guide to Pharmacology | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10193788 | |||
| 6908 | 2066 | None | 66 | Human | Functional | pIC50 | = | 8.8 | 8.8 | -2 | 6 | Guide to Pharmacology | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10193788 | |||
| CHEMBL1513 | 2066 | None | 66 | Human | Functional | pIC50 | = | 8.8 | 8.8 | -2 | 6 | Guide to Pharmacology | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10193788 | |||
| DB01029 | 2066 | None | 66 | Human | Functional | pIC50 | = | 8.8 | 8.8 | -2 | 6 | Guide to Pharmacology | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10193788 | |||
| 136218976 | 150 | None | 0 | Rat | Functional | pIC50 | = | 8.8 | 8.8 | - | 1 | Guide to Pharmacology | 423 | 9 | 2 | 5 | 3.7 | CCC[C@H](N(C(=O)CC)Cc1ccc(cc1)c1ccccc1c1noc(=O)[nH]1)C(=O)O | 22410249 | |||
| 6913 | 150 | None | 0 | Rat | Functional | pIC50 | = | 8.8 | 8.8 | - | 1 | Guide to Pharmacology | 423 | 9 | 2 | 5 | 3.7 | CCC[C@H](N(C(=O)CC)Cc1ccc(cc1)c1ccccc1c1noc(=O)[nH]1)C(=O)O | 22410249 | |||
| 2806 | 3969 | None | 65 | Human | Functional | pIC50 | = | 8.9 | 8.9 | 1 | 4 | Guide to Pharmacology | 435 | 10 | 2 | 5 | 4.2 | CCCCC(=O)N([C@H](C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1 | 11206708 | |||
| 3937 | 3969 | None | 65 | Human | Functional | pIC50 | = | 8.9 | 8.9 | 1 | 4 | Guide to Pharmacology | 435 | 10 | 2 | 5 | 4.2 | CCCCC(=O)N([C@H](C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1 | 11206708 | |||
| 593 | 3969 | None | 65 | Human | Functional | pIC50 | = | 8.9 | 8.9 | 1 | 4 | Guide to Pharmacology | 435 | 10 | 2 | 5 | 4.2 | CCCCC(=O)N([C@H](C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1 | 11206708 | |||
| 60846 | 3969 | None | 65 | Human | Functional | pIC50 | = | 8.9 | 8.9 | 1 | 4 | Guide to Pharmacology | 435 | 10 | 2 | 5 | 4.2 | CCCCC(=O)N([C@H](C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1 | 11206708 | |||
| 60846.0 | 3969 | None | 65 | Human | Functional | pIC50 | = | 8.9 | 8.9 | 1 | 4 | Guide to Pharmacology | 435 | 10 | 2 | 5 | 4.2 | CCCCC(=O)N([C@H](C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1 | 11206708 | |||
| CHEMBL1069 | 3969 | None | 65 | Human | Functional | pIC50 | = | 8.9 | 8.9 | 1 | 4 | Guide to Pharmacology | 435 | 10 | 2 | 5 | 4.2 | CCCCC(=O)N([C@H](C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1 | 11206708 | |||
| DB00177 | 3969 | None | 65 | Human | Functional | pIC50 | = | 8.9 | 8.9 | 1 | 4 | Guide to Pharmacology | 435 | 10 | 2 | 5 | 4.2 | CCCCC(=O)N([C@H](C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1 | 11206708 | |||
| 3839 | 3757 | None | 53 | Human | Functional | pIC50 | = | 8.9 | 8.9 | 794 | 2 | Guide to Pharmacology | 411 | 4 | 1 | 6 | 3.4 | Cc1nc(C)c2c(n1)N(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)CC2 | 11046101 | |||
| 60919 | 3757 | None | 53 | Human | Functional | pIC50 | = | 8.9 | 8.9 | 794 | 2 | Guide to Pharmacology | 411 | 4 | 1 | 6 | 3.4 | Cc1nc(C)c2c(n1)N(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)CC2 | 11046101 | |||
| 6898 | 3757 | None | 53 | Human | Functional | pIC50 | = | 8.9 | 8.9 | 794 | 2 | Guide to Pharmacology | 411 | 4 | 1 | 6 | 3.4 | Cc1nc(C)c2c(n1)N(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)CC2 | 11046101 | |||
| CHEMBL432162 | 3757 | None | 53 | Human | Functional | pIC50 | = | 8.9 | 8.9 | 794 | 2 | Guide to Pharmacology | 411 | 4 | 1 | 6 | 3.4 | Cc1nc(C)c2c(n1)N(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)CC2 | 11046101 | |||
| DB01349 | 3757 | None | 53 | Human | Functional | pIC50 | = | 8.9 | 8.9 | 794 | 2 | Guide to Pharmacology | 411 | 4 | 1 | 6 | 3.4 | Cc1nc(C)c2c(n1)N(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)CC2 | 11046101 | |||
| 16133225 | 419 | None | 38 | Human | Functional | pIC50 | = | 9.2 | 9.2 | -5 | 4 | Guide to Pharmacology | None | None | None | None | 10193788 | |||||
| 172198 | 419 | None | 38 | Human | Functional | pIC50 | = | 9.2 | 9.2 | -5 | 4 | Guide to Pharmacology | None | None | None | None | 10193788 | |||||
| 172198.0 | 419 | None | 38 | Human | Functional | pIC50 | = | 9.2 | 9.2 | -5 | 4 | Guide to Pharmacology | None | None | None | None | 10193788 | |||||
| 2504 | 419 | None | 38 | Human | Functional | pIC50 | = | 9.2 | 9.2 | -5 | 4 | Guide to Pharmacology | None | None | None | None | 10193788 | |||||
| 45266664 | 419 | None | 38 | Human | Functional | pIC50 | = | 9.2 | 9.2 | -5 | 4 | Guide to Pharmacology | None | None | None | None | 10193788 | |||||
| 5272 | 419 | None | 38 | Human | Functional | pIC50 | = | 9.2 | 9.2 | -5 | 4 | Guide to Pharmacology | None | None | None | None | 10193788 | |||||
| CHEMBL408403 | 419 | None | 38 | Human | Functional | pIC50 | = | 9.2 | 9.2 | -5 | 4 | Guide to Pharmacology | None | None | None | None | 10193788 | |||||
| DB11842 | 419 | None | 38 | Human | Functional | pIC50 | = | 9.2 | 9.2 | -5 | 4 | Guide to Pharmacology | None | None | None | None | 10193788 | |||||
| 6894 | 418 | None | 0 | Rat | Functional | pIC50 | = | 9.5 | 9.5 | -2 | 3 | Guide to Pharmacology | None | None | None | None | 17138938 | |||||
| 91691124 | 418 | None | 0 | Rat | Functional | pIC50 | = | 9.5 | 9.5 | -2 | 3 | Guide to Pharmacology | None | None | None | None | 17138938 | |||||
| 2541 | 786 | None | 65 | Human | Functional | pIC50 | = | 9.6 | 9.6 | 15 | 10 | Guide to Pharmacology | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10193788 | |||
| 2541.0 | 786 | None | 65 | Human | Functional | pIC50 | = | 9.6 | 9.6 | 15 | 10 | Guide to Pharmacology | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10193788 | |||
| 587 | 786 | None | 65 | Human | Functional | pIC50 | = | 9.6 | 9.6 | 15 | 10 | Guide to Pharmacology | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10193788 | |||
| 6907 | 786 | None | 65 | Human | Functional | pIC50 | = | 9.6 | 9.6 | 15 | 10 | Guide to Pharmacology | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10193788 | |||
| CHEMBL1016 | 786 | None | 65 | Human | Functional | pIC50 | = | 9.6 | 9.6 | 15 | 10 | Guide to Pharmacology | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10193788 | |||
| DB00796 | 786 | None | 65 | Human | Functional | pIC50 | = | 9.6 | 9.6 | 15 | 10 | Guide to Pharmacology | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10193788 | |||
| DB13919 | 786 | None | 65 | Human | Functional | pIC50 | = | 9.6 | 9.6 | 15 | 10 | Guide to Pharmacology | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10193788 | |||
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Activity | Chemical information | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID |
Reference ligand |
Vendors |
Species |
Assay Type |
Activity Type |
Activity Relation |
Activity Value |
p-value (-log) |
Fold selectivity |
Tested GPCRs |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
|
| 2541 | 786 | None | 65 | Human | Binding | pAC50 | = | 9.4 | 9.4 | -1 | 6 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 2541.0 | 786 | None | 65 | Human | Binding | pAC50 | = | 9.4 | 9.4 | -1 | 6 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 587 | 786 | None | 65 | Human | Binding | pAC50 | = | 9.4 | 9.4 | -1 | 6 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 6907 | 786 | None | 65 | Human | Binding | pAC50 | = | 9.4 | 9.4 | -1 | 6 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1016 | 786 | None | 65 | Human | Binding | pAC50 | = | 9.4 | 9.4 | -1 | 6 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| DB00796 | 786 | None | 65 | Human | Binding | pAC50 | = | 9.4 | 9.4 | -1 | 6 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| DB13919 | 786 | None | 65 | Human | Binding | pAC50 | = | 9.4 | 9.4 | -1 | 6 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 158781 | 44180 | None | 60 | Human | Binding | pAC50 | = | 9.4 | 9.4 | - | 0 | ChEMBL | 446 | 8 | 3 | 7 | 3.7 | CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1516 | 44180 | None | 60 | Human | Binding | pAC50 | = | 9.4 | 9.4 | - | 0 | ChEMBL | 446 | 8 | 3 | 7 | 3.7 | CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 2541 | 786 | None | 65 | Human | Binding | pAC50 | = | 9.3 | 9.3 | -1 | 6 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 2541.0 | 786 | None | 65 | Human | Binding | pAC50 | = | 9.3 | 9.3 | -1 | 6 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 587 | 786 | None | 65 | Human | Binding | pAC50 | = | 9.3 | 9.3 | -1 | 6 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 6907 | 786 | None | 65 | Human | Binding | pAC50 | = | 9.3 | 9.3 | -1 | 6 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1016 | 786 | None | 65 | Human | Binding | pAC50 | = | 9.3 | 9.3 | -1 | 6 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| DB00796 | 786 | None | 65 | Human | Binding | pAC50 | = | 9.3 | 9.3 | -1 | 6 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| DB13919 | 786 | None | 65 | Human | Binding | pAC50 | = | 9.3 | 9.3 | -1 | 6 | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 1481 | 2066 | None | 66 | Human | Binding | pAC50 | = | 9.1 | 9.1 | 1 | 3 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | |||
| 3749 | 2066 | None | 66 | Human | Binding | pAC50 | = | 9.1 | 9.1 | 1 | 3 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | |||
| 3749.0 | 2066 | None | 66 | Human | Binding | pAC50 | = | 9.1 | 9.1 | 1 | 3 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | |||
| 589 | 2066 | None | 66 | Human | Binding | pAC50 | = | 9.1 | 9.1 | 1 | 3 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | |||
| 6908 | 2066 | None | 66 | Human | Binding | pAC50 | = | 9.1 | 9.1 | 1 | 3 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1513 | 2066 | None | 66 | Human | Binding | pAC50 | = | 9.1 | 9.1 | 1 | 3 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | |||
| DB01029 | 2066 | None | 66 | Human | Binding | pAC50 | = | 9.1 | 9.1 | 1 | 3 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | |||
| 158781 | 44180 | None | 60 | Human | Binding | pAC50 | = | 9.1 | 9.1 | - | 0 | ChEMBL | 446 | 8 | 3 | 7 | 3.7 | CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1516 | 44180 | None | 60 | Human | Binding | pAC50 | = | 9.1 | 9.1 | - | 0 | ChEMBL | 446 | 8 | 3 | 7 | 3.7 | CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 1481 | 2066 | None | 66 | Human | Binding | pAC50 | = | 9.1 | 9.1 | 1 | 3 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | |||
| 3749 | 2066 | None | 66 | Human | Binding | pAC50 | = | 9.1 | 9.1 | 1 | 3 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | |||
| 3749.0 | 2066 | None | 66 | Human | Binding | pAC50 | = | 9.1 | 9.1 | 1 | 3 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | |||
| 589 | 2066 | None | 66 | Human | Binding | pAC50 | = | 9.1 | 9.1 | 1 | 3 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | |||
| 6908 | 2066 | None | 66 | Human | Binding | pAC50 | = | 9.1 | 9.1 | 1 | 3 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1513 | 2066 | None | 66 | Human | Binding | pAC50 | = | 9.1 | 9.1 | 1 | 3 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | |||
| DB01029 | 2066 | None | 66 | Human | Binding | pAC50 | = | 9.1 | 9.1 | 1 | 3 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | |||
| 130881 | 2921 | None | 65 | Human | Binding | pAC50 | = | 9.1 | 9.1 | - | 0 | ChEMBL | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | 10.1038/s41467-023-40064-9 | |||
| 130881.0 | 2921 | None | 65 | Human | Binding | pAC50 | = | 9.1 | 9.1 | - | 0 | ChEMBL | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | 10.1038/s41467-023-40064-9 | |||
| 1985 | 2921 | None | 65 | Human | Binding | pAC50 | = | 9.1 | 9.1 | - | 0 | ChEMBL | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | 10.1038/s41467-023-40064-9 | |||
| 591 | 2921 | None | 65 | Human | Binding | pAC50 | = | 9.1 | 9.1 | - | 0 | ChEMBL | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200692 | 2921 | None | 65 | Human | Binding | pAC50 | = | 9.1 | 9.1 | - | 0 | ChEMBL | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | 10.1038/s41467-023-40064-9 | |||
| DB00275 | 2921 | None | 65 | Human | Binding | pAC50 | = | 9.1 | 9.1 | - | 0 | ChEMBL | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | 10.1038/s41467-023-40064-9 | |||
| 2583 | 3776 | None | 69 | Human | Binding | pAC50 | = | 9 | 9.0 | - | 1 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 592 | 3776 | None | 69 | Human | Binding | pAC50 | = | 9 | 9.0 | - | 1 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 65999 | 3776 | None | 69 | Human | Binding | pAC50 | = | 9 | 9.0 | - | 1 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 65999.0 | 3776 | None | 69 | Human | Binding | pAC50 | = | 9 | 9.0 | - | 1 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1017 | 3776 | None | 69 | Human | Binding | pAC50 | = | 9 | 9.0 | - | 1 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB00966 | 3776 | None | 69 | Human | Binding | pAC50 | = | 9 | 9.0 | - | 1 | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 1481 | 2066 | None | 66 | Human | Binding | pAC50 | = | 8.8 | 8.8 | 1 | 3 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | |||
| 3749 | 2066 | None | 66 | Human | Binding | pAC50 | = | 8.8 | 8.8 | 1 | 3 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | |||
| 3749.0 | 2066 | None | 66 | Human | Binding | pAC50 | = | 8.8 | 8.8 | 1 | 3 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | |||
| 589 | 2066 | None | 66 | Human | Binding | pAC50 | = | 8.8 | 8.8 | 1 | 3 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | |||
| 6908 | 2066 | None | 66 | Human | Binding | pAC50 | = | 8.8 | 8.8 | 1 | 3 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1513 | 2066 | None | 66 | Human | Binding | pAC50 | = | 8.8 | 8.8 | 1 | 3 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | |||
| DB01029 | 2066 | None | 66 | Human | Binding | pAC50 | = | 8.8 | 8.8 | 1 | 3 | ChEMBL | 428 | 7 | 1 | 5 | 4.8 | CCCCC1=NC2(C(=O)N1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CCCC2 | 10.1038/s41467-023-40064-9 | |||
| 130881 | 2921 | None | 65 | Human | Binding | pAC50 | = | 8.8 | 8.8 | - | 0 | ChEMBL | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | 10.1038/s41467-023-40064-9 | |||
| 130881.0 | 2921 | None | 65 | Human | Binding | pAC50 | = | 8.8 | 8.8 | - | 0 | ChEMBL | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | 10.1038/s41467-023-40064-9 | |||
| 1985 | 2921 | None | 65 | Human | Binding | pAC50 | = | 8.8 | 8.8 | - | 0 | ChEMBL | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | 10.1038/s41467-023-40064-9 | |||
| 591 | 2921 | None | 65 | Human | Binding | pAC50 | = | 8.8 | 8.8 | - | 0 | ChEMBL | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200692 | 2921 | None | 65 | Human | Binding | pAC50 | = | 8.8 | 8.8 | - | 0 | ChEMBL | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | 10.1038/s41467-023-40064-9 | |||
| DB00275 | 2921 | None | 65 | Human | Binding | pAC50 | = | 8.8 | 8.8 | - | 0 | ChEMBL | 558 | 10 | 2 | 11 | 4.2 | CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C | 10.1038/s41467-023-40064-9 | |||
| 1037 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| 3940 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| 5281037 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| 5281037.0 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| 588 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL813 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| DB00876 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.7 | 8.7 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| 242 | 470 | None | 70 | Human | Binding | pAC50 | = | 6 | 6.0 | - | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| 34 | 470 | None | 70 | Human | Binding | pAC50 | = | 6 | 6.0 | - | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| 60795 | 470 | None | 70 | Human | Binding | pAC50 | = | 6 | 6.0 | - | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| 60795.0 | 470 | None | 70 | Human | Binding | pAC50 | = | 6 | 6.0 | - | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1112 | 470 | None | 70 | Human | Binding | pAC50 | = | 6 | 6.0 | - | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| DB01238 | 470 | None | 70 | Human | Binding | pAC50 | = | 6 | 6.0 | - | 51 | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| 216239 | 23803 | None | 71 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 7 | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200485 | 23803 | None | 71 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 7 | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1336 | 23803 | None | 71 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 7 | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | |||
| 25181577 | 78248 | None | 44 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 574 | 9 | 2 | 9 | 5.0 | CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2105695 | 78248 | None | 44 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 574 | 9 | 2 | 9 | 5.0 | CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 54682461 | 84720 | None | 41 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 602 | 11 | 2 | 6 | 7.3 | CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL222559 | 84720 | None | 41 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 602 | 11 | 2 | 6 | 7.3 | CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1 | 10.1038/s41467-023-40064-9 | |||
| 441290 | 14483 | None | 21 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 529 | 5 | 1 | 5 | 4.4 | C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1 | 10.1038/s41467-023-40064-9 | |||
| 441290.0 | 14483 | None | 21 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 529 | 5 | 1 | 5 | 4.4 | C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1201244 | 14483 | None | 21 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 529 | 5 | 1 | 5 | 4.4 | C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1 | 10.1038/s41467-023-40064-9 | |||
| DB00728 | 14483 | None | 21 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 529 | 5 | 1 | 5 | 4.4 | C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1 | 10.1038/s41467-023-40064-9 | |||
| 65948 | 18563 | None | 62 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 582 | 9 | 2 | 9 | 4.7 | CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1275868 | 18563 | None | 62 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 582 | 9 | 2 | 9 | 4.7 | CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1 | 10.1038/s41467-023-40064-9 | |||
| 5077 | 3578 | None | 61 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 4 | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| 7552 | 3578 | None | 61 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 4 | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| 9913767 | 3578 | None | 61 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 4 | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| 9913767.0 | 3578 | None | 61 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 4 | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL238804 | 3578 | None | 61 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 4 | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| DB11362 | 3578 | None | 61 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 4 | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| 64139 | 84819 | None | 58 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 315 | 0 | 1 | 2 | 4.1 | O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL223228 | 84819 | None | 58 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 315 | 0 | 1 | 2 | 4.1 | O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1 | 10.1038/s41467-023-40064-9 | |||
| 2540 | 4402 | None | 68 | Human | Binding | pAC50 | = | 7.9 | 7.9 | - | 4 | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1014 | 4402 | None | 68 | Human | Binding | pAC50 | = | 7.9 | 7.9 | - | 4 | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 180 | 401 | None | 38 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 200 | 401 | None | 38 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 2160 | 401 | None | 38 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 2160.0 | 401 | None | 38 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL629 | 401 | None | 38 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| DB00321 | 401 | None | 38 | Human | Binding | pAC50 | = | 5.9 | 5.9 | - | 39 | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 3149 | 12618 | None | 11 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1187011 | 12618 | None | 11 | Human | Binding | pAC50 | = | 4.9 | 4.9 | - | 0 | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 1549120 | 198942 | None | 55 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 319 | 4 | 1 | 4 | 2.9 | CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL56337 | 198942 | None | 55 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 319 | 4 | 1 | 4 | 2.9 | CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 5281034 | 14431 | None | 18 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 332 | 0 | 2 | 3 | 4.4 | C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200585 | 14431 | None | 18 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 332 | 0 | 2 | 3 | 4.4 | C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O | 10.1038/s41467-023-40064-9 | |||
| 3599 | 16886 | None | 60 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 407 | 20 | 0 | 4 | 5.7 | CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL125 | 16886 | None | 60 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 407 | 20 | 0 | 4 | 5.7 | CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | |||
| 5591 | 157623 | None | 57 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 2 | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL408 | 157623 | None | 57 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 2 | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | 10.1038/s41467-023-40064-9 | |||
| 3152 | 188518 | None | 61 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL502 | 188518 | None | 61 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 379 | 6 | 0 | 4 | 4.4 | COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2 | 10.1038/s41467-023-40064-9 | |||
| 2333 | 142422 | None | 66 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 2 | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL388590 | 142422 | None | 66 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 2 | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | 10.1038/s41467-023-40064-9 | |||
| 5803 | 162321 | None | 58 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 622 | 4 | 2 | 3 | 4.6 | O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL41632 | 162321 | None | 58 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 622 | 4 | 2 | 3 | 4.6 | O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 | 10.1038/s41467-023-40064-9 | |||
| 104850 | 3330 | None | 58 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| 4150 | 3330 | None | 58 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| 743 | 3330 | None | 58 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL111 | 3330 | None | 58 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| DB06155 | 3330 | None | 58 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 6 | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| 2540 | 4402 | None | 68 | Human | Binding | pAC50 | = | 7.8 | 7.8 | - | 4 | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1014 | 4402 | None | 68 | Human | Binding | pAC50 | = | 7.8 | 7.8 | - | 4 | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 5852 | 2617 | None | 48 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 4 | ChEMBL | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| 9931891 | 2617 | None | 48 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 4 | ChEMBL | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL239226 | 2617 | None | 48 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 4 | ChEMBL | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| 5318 | 15583 | None | 40 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 13 | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200348 | 15583 | None | 40 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 13 | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1221 | 15583 | None | 40 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 13 | ChEMBL | 396 | 6 | 0 | 3 | 6.5 | Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| 1385580 | 29284 | None | 49 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 5 | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| 4615 | 29284 | None | 49 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 5 | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| 4615.0 | 29284 | None | 49 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 5 | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL13828 | 29284 | None | 49 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 5 | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| DB12877 | 29284 | None | 49 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 5 | ChEMBL | 426 | 7 | 1 | 4 | 4.1 | O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| 1056 | 3371 | None | 67 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | |||
| 2405 | 3371 | None | 67 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | |||
| 77999 | 3371 | None | 67 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL121 | 3371 | None | 67 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | |||
| DB00412 | 3371 | None | 67 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 1 | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1038/s41467-023-40064-9 | |||
| 40973 | 46049 | None | 50 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 310 | 1 | 1 | 1 | 4.9 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1533 | 46049 | None | 50 | Human | Binding | pAC50 | = | 4.8 | 4.8 | - | 0 | ChEMBL | 310 | 1 | 1 | 1 | 4.9 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC | 10.1038/s41467-023-40064-9 | |||
| 135409453 | 3773 | None | 26 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 19 | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
| 226 | 3773 | None | 26 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 19 | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
| CHEMBL76370 | 3773 | None | 26 | Human | Binding | pAC50 | = | 5.8 | 5.8 | - | 19 | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
| 3516 | 210582 | None | 66 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 198 | 5 | 2 | 4 | 0.4 | COc1ccccc1OCC(O)CO | 10.1038/s41467-023-40064-9 | |||
| CHEMBL980 | 210582 | None | 66 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 198 | 5 | 2 | 4 | 0.4 | COc1ccccc1OCC(O)CO | 10.1038/s41467-023-40064-9 | |||
| 135398735 | 137055 | None | 20 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
| 136262914 | 137055 | None | 20 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL374478 | 137055 | None | 20 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
| 72093 | 35070 | None | 5 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1433361 | 35070 | None | 5 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2103773 | 35070 | None | 5 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | |||
| 4495 | 198991 | None | 63 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 30 | ChEMBL | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL56367 | 198991 | None | 63 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 30 | ChEMBL | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 2303 | 3187 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 26 | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | |||
| 4946 | 3187 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 26 | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | |||
| 564 | 3187 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 26 | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | |||
| 63 | 3187 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 26 | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | |||
| 91536 | 3187 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 26 | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL27 | 3187 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 26 | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL452861 | 3187 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 26 | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | |||
| DB00571 | 3187 | None | 44 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 26 | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | |||
| 25025298 | 78180 | None | 37 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 546 | 8 | 3 | 8 | 4.5 | Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)n1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2103855 | 78180 | None | 37 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 546 | 8 | 3 | 8 | 4.5 | Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)n1 | 10.1038/s41467-023-40064-9 | |||
| 5280453 | 208429 | None | 49 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 416 | 6 | 3 | 3 | 5.7 | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL846 | 208429 | None | 49 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 416 | 6 | 3 | 3 | 5.7 | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O | 10.1038/s41467-023-40064-9 | |||
| 54454 | 5260 | None | 48 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 418 | 6 | 1 | 5 | 4.6 | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1064 | 5260 | None | 48 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 418 | 6 | 1 | 5 | 4.6 | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | |||
| 6540478 | 14453 | None | 25 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 369 | 2 | 1 | 4 | 4.7 | C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200934 | 14453 | None | 25 | Human | Binding | pAC50 | = | 4.7 | 4.7 | - | 0 | ChEMBL | 369 | 2 | 1 | 4 | 4.7 | C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC | 10.1038/s41467-023-40064-9 | |||
| 51755 | 57422 | None | 40 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 454 | 8 | 0 | 4 | 7.3 | Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1651990 | 57422 | None | 40 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 454 | 8 | 0 | 4 | 7.3 | Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
| 1353 | 1911 | None | 63 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -6918 | 85 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
| 3559 | 1911 | None | 63 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -6918 | 85 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
| 3559.0 | 1911 | None | 63 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -6918 | 85 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
| 86 | 1911 | None | 63 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -6918 | 85 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL54 | 1911 | None | 63 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -6918 | 85 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
| DB00502 | 1911 | None | 63 | Human | Binding | pAC50 | = | 4.6 | 4.6 | -6918 | 85 | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
| 11980903 | 14498 | None | 13 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 22526 | 14498 | None | 13 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 5281035 | 14498 | None | 13 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1201303 | 14498 | None | 13 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 5564 | 208464 | None | 69 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 288 | 2 | 1 | 2 | 5.1 | Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL849 | 208464 | None | 69 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 288 | 2 | 1 | 2 | 5.1 | Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | |||
| 3899 | 210233 | None | 68 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 270 | 2 | 1 | 3 | 3.3 | Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL960 | 210233 | None | 68 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 270 | 2 | 1 | 3 | 3.3 | Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1 | 10.1038/s41467-023-40064-9 | |||
| 24826799 | 10802 | None | 64 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 532 | 4 | 1 | 6 | 4.5 | Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1171837 | 10802 | None | 64 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 532 | 4 | 1 | 6 | 4.5 | Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 10.1038/s41467-023-40064-9 | |||
| 2335 | 11852 | None | 18 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 12 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 8478 | 11852 | None | 18 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 12 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1182210 | 11852 | None | 18 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 12 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL221753 | 11852 | None | 18 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 12 | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 2585 | 803 | None | 59 | Human | Binding | pAC50 | = | 6.6 | 6.6 | - | 22 | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| 2585.0 | 803 | None | 59 | Human | Binding | pAC50 | = | 6.6 | 6.6 | - | 22 | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| 522 | 803 | None | 59 | Human | Binding | pAC50 | = | 6.6 | 6.6 | - | 22 | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| 551 | 803 | None | 59 | Human | Binding | pAC50 | = | 6.6 | 6.6 | - | 22 | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL723 | 803 | None | 59 | Human | Binding | pAC50 | = | 6.6 | 6.6 | - | 22 | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| DB01136 | 803 | None | 59 | Human | Binding | pAC50 | = | 6.6 | 6.6 | - | 22 | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| 1610 | 2347 | None | 64 | Human | Binding | pAC50 | = | 7.6 | 7.6 | 1 | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1038/s41467-023-40064-9 | |||
| 3941 | 2347 | None | 64 | Human | Binding | pAC50 | = | 7.6 | 7.6 | 1 | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1038/s41467-023-40064-9 | |||
| 3961 | 2347 | None | 64 | Human | Binding | pAC50 | = | 7.6 | 7.6 | 1 | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1038/s41467-023-40064-9 | |||
| 3961.0 | 2347 | None | 64 | Human | Binding | pAC50 | = | 7.6 | 7.6 | 1 | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1038/s41467-023-40064-9 | |||
| 590 | 2347 | None | 64 | Human | Binding | pAC50 | = | 7.6 | 7.6 | 1 | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL191 | 2347 | None | 64 | Human | Binding | pAC50 | = | 7.6 | 7.6 | 1 | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1038/s41467-023-40064-9 | |||
| DB00678 | 2347 | None | 64 | Human | Binding | pAC50 | = | 7.6 | 7.6 | 1 | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1038/s41467-023-40064-9 | |||
| 16220172 | 73068 | None | 63 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 392 | 2 | 3 | 3 | 5.1 | CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2010601 | 73068 | None | 63 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 392 | 2 | 3 | 3 | 5.1 | CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O | 10.1038/s41467-023-40064-9 | |||
| 3926 | 209699 | None | 30 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 491 | 9 | 1 | 3 | 5.8 | Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL92870 | 209699 | None | 30 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 491 | 9 | 1 | 3 | 5.8 | Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1038/s41467-023-40064-9 | |||
| 54585 | 14508 | None | 49 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 357 | 7 | 4 | 6 | 2.7 | O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1201346 | 14508 | None | 49 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 0 | ChEMBL | 357 | 7 | 4 | 6 | 2.7 | O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 2812 | 4781 | None | 63 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 34 | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL104 | 4781 | None | 63 | Human | Binding | pAC50 | = | 4.6 | 4.6 | - | 34 | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | 10.1038/s41467-023-40064-9 | |||
| 11626560 | 203394 | None | 56 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 449 | 5 | 2 | 6 | 5.0 | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL601719 | 203394 | None | 56 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 449 | 5 | 2 | 6 | 5.0 | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | 10.1038/s41467-023-40064-9 | |||
| 47472 | 19444 | None | 41 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 410 | 7 | 0 | 3 | 6.6 | Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1295 | 19444 | None | 41 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 0 | ChEMBL | 410 | 7 | 0 | 3 | 6.6 | Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1 | 10.1038/s41467-023-40064-9 | |||
| 16362 | 3125 | None | 49 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 29 | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 16362.0 | 3125 | None | 49 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 29 | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 2172 | 3125 | None | 49 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 29 | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 90 | 3125 | None | 49 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 29 | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1423 | 3125 | None | 49 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 29 | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB01100 | 3125 | None | 49 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 29 | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 392622 | 56328 | None | 57 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 4 | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL163 | 56328 | None | 57 | Human | Binding | pAC50 | = | 4.5 | 4.5 | - | 4 | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | 10.1038/s41467-023-40064-9 | |||
| 4485 | 69401 | None | 70 | Human | Binding | pAC50 | = | 4.4 | 4.4 | - | 8 | ChEMBL | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | 10.1038/s41467-023-40064-9 | |||
| CHEMBL193 | 69401 | None | 70 | Human | Binding | pAC50 | = | 4.4 | 4.4 | - | 8 | ChEMBL | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | 10.1038/s41467-023-40064-9 | |||
| 53232 | 188732 | None | 57 | Human | Binding | pAC50 | = | 4.4 | 4.4 | - | 2 | ChEMBL | 404 | 6 | 1 | 5 | 4.2 | CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL503 | 188732 | None | 57 | Human | Binding | pAC50 | = | 4.4 | 4.4 | - | 2 | ChEMBL | 404 | 6 | 1 | 5 | 4.2 | CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | |||
| 1037 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| 3940 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| 5281037 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| 5281037.0 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| 588 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL813 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| DB00876 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.4 | 8.4 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| 5329102 | 194838 | None | 50 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL535 | 194838 | None | 50 | Human | Binding | pAC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | |||
| 1037 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| 3940 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| 5281037 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| 5281037.0 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| 588 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL813 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| DB00876 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| 1610 | 2347 | None | 64 | Human | Binding | pAC50 | = | 8.3 | 8.3 | 1 | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1038/s41467-023-40064-9 | |||
| 3941 | 2347 | None | 64 | Human | Binding | pAC50 | = | 8.3 | 8.3 | 1 | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1038/s41467-023-40064-9 | |||
| 3961 | 2347 | None | 64 | Human | Binding | pAC50 | = | 8.3 | 8.3 | 1 | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1038/s41467-023-40064-9 | |||
| 3961.0 | 2347 | None | 64 | Human | Binding | pAC50 | = | 8.3 | 8.3 | 1 | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1038/s41467-023-40064-9 | |||
| 590 | 2347 | None | 64 | Human | Binding | pAC50 | = | 8.3 | 8.3 | 1 | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL191 | 2347 | None | 64 | Human | Binding | pAC50 | = | 8.3 | 8.3 | 1 | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1038/s41467-023-40064-9 | |||
| DB00678 | 2347 | None | 64 | Human | Binding | pAC50 | = | 8.3 | 8.3 | 1 | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1038/s41467-023-40064-9 | |||
| 1037 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| 3940 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| 5281037 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| 5281037.0 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| 588 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL813 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| DB00876 | 1578 | None | 44 | Human | Binding | pAC50 | = | 8.3 | 8.3 | - | 1 | ChEMBL | 424 | 10 | 2 | 5 | 4.7 | CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1 | 10.1038/s41467-023-40064-9 | |||
| 2855 | 4132 | None | 63 | Human | Binding | pAC50 | = | 4.3 | 4.3 | - | 6 | ChEMBL | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | |||
| 3322 | 4132 | None | 63 | Human | Binding | pAC50 | = | 4.3 | 4.3 | - | 6 | ChEMBL | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | |||
| 5717 | 4132 | None | 63 | Human | Binding | pAC50 | = | 4.3 | 4.3 | - | 6 | ChEMBL | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | |||
| 5717.0 | 4132 | None | 63 | Human | Binding | pAC50 | = | 4.3 | 4.3 | - | 6 | ChEMBL | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL603 | 4132 | None | 63 | Human | Binding | pAC50 | = | 4.3 | 4.3 | - | 6 | ChEMBL | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | |||
| DB00549 | 4132 | None | 63 | Human | Binding | pAC50 | = | 4.3 | 4.3 | - | 6 | ChEMBL | 575 | 8 | 2 | 7 | 5.7 | COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | |||
| 3333 | 40181 | None | 69 | Human | Binding | pAC50 | = | 4.3 | 4.3 | - | 1 | ChEMBL | 383 | 4 | 1 | 5 | 4.0 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1480 | 40181 | None | 69 | Human | Binding | pAC50 | = | 4.3 | 4.3 | - | 1 | ChEMBL | 383 | 4 | 1 | 5 | 4.0 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl | 10.1038/s41467-023-40064-9 | |||
| 41684 | 31229 | None | 62 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1401 | 31229 | None | 62 | Human | Binding | pAC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | |||
| 146015366 | 210861 | None | 45 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 319 | 9 | 5 | 4 | 0.5 | CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O | 10.1038/s41467-023-40064-9 | |||
| 60852 | 210861 | None | 45 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 319 | 9 | 5 | 4 | 0.5 | CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL997 | 210861 | None | 45 | Human | Binding | pAC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 319 | 9 | 5 | 4 | 0.5 | CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O | 10.1038/s41467-023-40064-9 | |||
| 275196 | 125740 | None | 38 | Human | Binding | pAC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 413 | 4 | 0 | 8 | 2.9 | COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2106732 | 125740 | None | 38 | Human | Binding | pAC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 413 | 4 | 0 | 8 | 2.9 | COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL364713 | 125740 | None | 38 | Human | Binding | pAC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 413 | 4 | 0 | 8 | 2.9 | COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C | 10.1038/s41467-023-40064-9 | |||
| 4494 | 190296 | None | 55 | Human | Binding | pAC50 | = | 4.2 | 4.2 | - | 0 | ChEMBL | 385 | 5 | 1 | 8 | 2.5 | COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL517427 | 190296 | None | 55 | Human | Binding | pAC50 | = | 4.2 | 4.2 | - | 0 | ChEMBL | 385 | 5 | 1 | 8 | 2.5 | COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| 5282219 | 35878 | None | 48 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 450 | 12 | 1 | 5 | 5.7 | CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1441961 | 35878 | None | 48 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 450 | 12 | 1 | 5 | 5.7 | CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1 | 10.1038/s41467-023-40064-9 | |||
| 135565674 | 195116 | None | 61 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 627 | 15 | 3 | 10 | 5.8 | CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1 | 10.1038/s41467-023-40064-9 | |||
| 213023 | 195116 | None | 61 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 627 | 15 | 3 | 10 | 5.8 | CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1 | 10.1038/s41467-023-40064-9 | |||
| 6445226 | 195116 | None | 61 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 627 | 15 | 3 | 10 | 5.8 | CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1 | 10.1038/s41467-023-40064-9 | |||
| 9578572 | 195116 | None | 61 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 627 | 15 | 3 | 10 | 5.8 | CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL539697 | 195116 | None | 61 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 627 | 15 | 3 | 10 | 5.8 | CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1 | 10.1038/s41467-023-40064-9 | |||
| 4209 | 3163 | None | 48 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
| 4893 | 3163 | None | 48 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
| 4893.0 | 3163 | None | 48 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
| 503 | 3163 | None | 48 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
| 5385 | 3163 | None | 48 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2 | 3163 | None | 48 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
| DB00457 | 3163 | None | 48 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 35 | ChEMBL | 383 | 4 | 1 | 8 | 1.8 | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1ccco1 | 10.1038/s41467-023-40064-9 | |||
| 5282181 | 53539 | None | 37 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 400 | 6 | 2 | 2 | 6.6 | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1601669 | 53539 | None | 37 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 400 | 6 | 2 | 2 | 6.6 | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL5314356 | 194706 | None | 0 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | |||||
| 135564886 | 14499 | None | 5 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | |||
| 135673376 | 14499 | None | 5 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | |||
| 137157436 | 14499 | None | 5 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | |||
| 145948239 | 14499 | None | 5 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | |||
| 71587099 | 14499 | None | 5 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1201304 | 14499 | None | 5 | Human | Binding | pAC50 | = | 5.1 | 5.1 | - | 0 | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | |||
| 1610 | 2347 | None | 64 | Human | Binding | pAC50 | = | 8 | 8.0 | 1 | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1038/s41467-023-40064-9 | |||
| 3941 | 2347 | None | 64 | Human | Binding | pAC50 | = | 8 | 8.0 | 1 | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1038/s41467-023-40064-9 | |||
| 3961 | 2347 | None | 64 | Human | Binding | pAC50 | = | 8 | 8.0 | 1 | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1038/s41467-023-40064-9 | |||
| 3961.0 | 2347 | None | 64 | Human | Binding | pAC50 | = | 8 | 8.0 | 1 | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1038/s41467-023-40064-9 | |||
| 590 | 2347 | None | 64 | Human | Binding | pAC50 | = | 8 | 8.0 | 1 | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL191 | 2347 | None | 64 | Human | Binding | pAC50 | = | 8 | 8.0 | 1 | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1038/s41467-023-40064-9 | |||
| DB00678 | 2347 | None | 64 | Human | Binding | pAC50 | = | 8 | 8.0 | 1 | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1038/s41467-023-40064-9 | |||
| 2194 | 63103 | None | 64 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 240 | 2 | 0 | 4 | 4.2 | COc1ccc(-c2cc(=S)ss2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL178862 | 63103 | None | 64 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 240 | 2 | 0 | 4 | 4.2 | COc1ccc(-c2cc(=S)ss2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 71329 | 179375 | None | 61 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 441 | 11 | 2 | 6 | 2.0 | CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL473 | 179375 | None | 61 | Human | Binding | pAC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 441 | 11 | 2 | 6 | 2.0 | CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1 | 10.1038/s41467-023-40064-9 | |||
| 155540547 | 172624 | None | 0 | Human | Binding | pEC50 | = | 8 | 8.0 | - | 0 | ChEMBL | 945 | 26 | 13 | 13 | -2.8 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)c(F)c1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)[C@@H](C)OC)C(C)C | nan | |||
| CHEMBL4483576 | 172624 | None | 0 | Human | Binding | pEC50 | = | 8 | 8.0 | - | 0 | ChEMBL | 945 | 26 | 13 | 13 | -2.8 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)c(F)c1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)[C@@H](C)OC)C(C)C | nan | |||
| 155539027 | 172927 | None | 0 | Rat | Binding | pEC50 | = | 8 | 8.0 | - | 0 | ChEMBL | 944 | 26 | 13 | 12 | -1.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)c(F)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4514079 | 172927 | None | 0 | Rat | Binding | pEC50 | = | 8 | 8.0 | - | 0 | ChEMBL | 944 | 26 | 13 | 12 | -1.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)c(F)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155541295 | 173114 | None | 0 | Human | Binding | pEC50 | = | 7 | 7.0 | - | 0 | ChEMBL | 926 | 25 | 12 | 12 | -2.0 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| CHEMBL4518318 | 173114 | None | 0 | Human | Binding | pEC50 | = | 7 | 7.0 | - | 0 | ChEMBL | 926 | 25 | 12 | 12 | -2.0 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| 155547844 | 173802 | None | 0 | Human | Binding | pEC50 | = | 7 | 7.0 | - | 0 | ChEMBL | 942 | 26 | 14 | 13 | -2.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4535678 | 173802 | None | 0 | Human | Binding | pEC50 | = | 7 | 7.0 | - | 0 | ChEMBL | 942 | 26 | 14 | 13 | -2.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155565112 | 175603 | None | 0 | Rat | Binding | pEC50 | = | 7 | 7.0 | - | 0 | ChEMBL | 1081 | 26 | 13 | 12 | -0.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4577692 | 175603 | None | 0 | Rat | Binding | pEC50 | = | 7 | 7.0 | - | 0 | ChEMBL | 1081 | 26 | 13 | 12 | -0.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155546362 | 173655 | None | 0 | Human | Binding | pEC50 | = | 6 | 6.0 | - | 0 | ChEMBL | 966 | 26 | 12 | 12 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN1CCCC1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4532075 | 173655 | None | 0 | Human | Binding | pEC50 | = | 6 | 6.0 | - | 0 | ChEMBL | 966 | 26 | 12 | 12 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN1CCCC1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155568289 | 176231 | None | 0 | Human | Binding | pEC50 | = | 6 | 6.0 | - | 0 | ChEMBL | 898 | 26 | 11 | 12 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4592000 | 176231 | None | 0 | Human | Binding | pEC50 | = | 6 | 6.0 | - | 0 | ChEMBL | 898 | 26 | 11 | 12 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155557139 | 174648 | None | 0 | Human | Binding | pEC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 980 | 26 | 12 | 12 | -0.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN1CCCCC1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4556070 | 174648 | None | 0 | Human | Binding | pEC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 980 | 26 | 12 | 12 | -0.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN1CCCCC1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155520024 | 173350 | None | 0 | Rat | Binding | pEC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 959 | 27 | 13 | 12 | -1.6 | CN[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL4524570 | 173350 | None | 0 | Rat | Binding | pEC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 959 | 27 | 13 | 12 | -1.6 | CN[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| 155557139 | 174648 | None | 0 | Rat | Binding | pEC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 980 | 26 | 12 | 12 | -0.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN1CCCCC1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4556070 | 174648 | None | 0 | Rat | Binding | pEC50 | = | 5 | 5.0 | - | 0 | ChEMBL | 980 | 26 | 12 | 12 | -0.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN1CCCCC1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL938 | 218397 | None | 23 | Human | Binding | pEC50 | = | 8.0 | 8.0 | 1 | 2 | ChEMBL | None | None | None | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C | nan | |||||
| 155544988 | 173546 | None | 0 | Rat | Binding | pEC50 | = | 7.0 | 7.0 | - | 0 | ChEMBL | 853 | 24 | 12 | 11 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(N)=O | nan | |||
| CHEMBL4529051 | 173546 | None | 0 | Rat | Binding | pEC50 | = | 7.0 | 7.0 | - | 0 | ChEMBL | 853 | 24 | 12 | 11 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(N)=O | nan | |||
| 155541440 | 173122 | None | 0 | Human | Binding | pEC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 954 | 28 | 13 | 12 | -1.1 | CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(=O)O | nan | |||
| CHEMBL4518530 | 173122 | None | 0 | Human | Binding | pEC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 954 | 28 | 13 | 12 | -1.1 | CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(=O)O | nan | |||
| 155540033 | 172993 | None | 0 | Rat | Binding | pEC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 953 | 27 | 13 | 12 | -1.9 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(C)C)C(N)=O | nan | |||
| CHEMBL4515768 | 172993 | None | 0 | Rat | Binding | pEC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 953 | 27 | 13 | 12 | -1.9 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(C)C)C(N)=O | nan | |||
| 155541125 | 173068 | None | 0 | Rat | Binding | pEC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 904 | 27 | 12 | 11 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(C)C)C(=O)O | nan | |||
| CHEMBL4517561 | 173068 | None | 0 | Rat | Binding | pEC50 | = | 6.9 | 6.9 | - | 1 | ChEMBL | 904 | 27 | 12 | 11 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(C)C)C(=O)O | nan | |||
| 155540470 | 172579 | None | 0 | Human | Binding | pEC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 961 | 26 | 14 | 13 | -2.3 | CN[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL4482867 | 172579 | None | 0 | Human | Binding | pEC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 961 | 26 | 14 | 13 | -2.3 | CN[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| 155559120 | 174890 | None | 0 | Human | Binding | pEC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 945 | 26 | 13 | 12 | -1.8 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| CHEMBL4561769 | 174890 | None | 0 | Human | Binding | pEC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 945 | 26 | 13 | 12 | -1.8 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| 155564502 | 175364 | None | 0 | Human | Binding | pEC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 2296 | 33 | 30 | 27 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC1=O | nan | |||
| CHEMBL4572408 | 175364 | None | 0 | Human | Binding | pEC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 2296 | 33 | 30 | 27 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC1=O | nan | |||
| 54696627 | 98399 | None | 0 | Bovine | Binding | pEC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 486 | 5 | 2 | 7 | 5.0 | Cc1ccc2c(O)c(-c3ccccc3)c(=O)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2n1 | 10.1016/S0960-894X(01)81134-3 | |||
| CHEMBL27511 | 98399 | None | 0 | Bovine | Binding | pEC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 486 | 5 | 2 | 7 | 5.0 | Cc1ccc2c(O)c(-c3ccccc3)c(=O)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2n1 | 10.1016/S0960-894X(01)81134-3 | |||
| 54726669 | 99324 | None | 0 | Bovine | Binding | pEC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 461 | 5 | 2 | 6 | 4.6 | O=c1c(-c2ccccc2)c(O)c2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CCC2 | 10.1016/S0960-894X(01)81134-3 | |||
| CHEMBL281887 | 99324 | None | 0 | Bovine | Binding | pEC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 461 | 5 | 2 | 6 | 4.6 | O=c1c(-c2ccccc2)c(O)c2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CCC2 | 10.1016/S0960-894X(01)81134-3 | |||
| 155539027 | 172927 | None | 0 | Human | Binding | pEC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 944 | 26 | 13 | 12 | -1.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)c(F)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4514079 | 172927 | None | 0 | Human | Binding | pEC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 944 | 26 | 13 | 12 | -1.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)c(F)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155547428 | 173719 | None | 0 | Rat | Binding | pEC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 959 | 26 | 13 | 12 | -1.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)c(Cl)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4533618 | 173719 | None | 0 | Rat | Binding | pEC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 959 | 26 | 13 | 12 | -1.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)c(Cl)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155550799 | 174378 | None | 0 | Rat | Binding | pEC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 959 | 26 | 13 | 12 | -1.7 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| CHEMBL4549405 | 174378 | None | 0 | Rat | Binding | pEC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | 959 | 26 | 13 | 12 | -1.7 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| 155543091 | 173283 | None | 0 | Rat | Binding | pEC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 940 | 26 | 13 | 12 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4522246 | 173283 | None | 0 | Rat | Binding | pEC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | 940 | 26 | 13 | 12 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155520014 | 173339 | None | 0 | Human | Binding | pEC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 975 | 27 | 14 | 13 | -1.9 | CN[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL4524300 | 173339 | None | 0 | Human | Binding | pEC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 975 | 27 | 14 | 13 | -1.9 | CN[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL2028943 | 211594 | None | 0 | Rat | Binding | pEC50 | = | 7.9 | 7.9 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)O | nan | |||||
| CHEMBL2370909 | 212407 | None | 0 | Rat | Binding | pEC50 | = | 6.9 | 6.9 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)O | nan | |||||
| 155542907 | 173280 | None | 0 | Human | Binding | pEC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 904 | 24 | 13 | 12 | -1.5 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C | nan | |||
| CHEMBL4522038 | 173280 | None | 0 | Human | Binding | pEC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 904 | 24 | 13 | 12 | -1.5 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C | nan | |||
| 155563676 | 175448 | None | 0 | Human | Binding | pEC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 961 | 26 | 14 | 13 | -2.1 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| CHEMBL4574199 | 175448 | None | 0 | Human | Binding | pEC50 | = | 5.9 | 5.9 | - | 0 | ChEMBL | 961 | 26 | 14 | 13 | -2.1 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| CHEMBL2392353 | 212873 | None | 5 | Rat | Binding | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | None | None | None | None | nan | |||||
| 3082475 | 3877 | None | 19 | Rat | Binding | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | None | None | None | None | nan | |||||
| 6902 | 3877 | None | 19 | Rat | Binding | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | None | None | None | None | nan | |||||
| CHEMBL4297447 | 3877 | None | 19 | Rat | Binding | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | None | None | None | None | nan | |||||
| DB12199 | 3877 | None | 19 | Rat | Binding | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | None | None | None | None | nan | |||||
| 155568804 | 176224 | None | 0 | Rat | Binding | pEC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 927 | 26 | 13 | 13 | -2.9 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O)[C@@H](C)OC)C(C)C | nan | |||
| CHEMBL4591857 | 176224 | None | 0 | Rat | Binding | pEC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 927 | 26 | 13 | 13 | -2.9 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O)[C@@H](C)OC)C(C)C | nan | |||
| 155541240 | 173119 | None | 0 | Human | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 928 | 26 | 12 | 11 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4518420 | 173119 | None | 0 | Human | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 928 | 26 | 12 | 11 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155563538 | 175404 | None | 0 | Human | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 925 | 26 | 13 | 12 | -2.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O | nan | |||
| CHEMBL4573250 | 175404 | None | 0 | Human | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 925 | 26 | 13 | 12 | -2.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O | nan | |||
| 155554529 | 174737 | None | 0 | Rat | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 961 | 26 | 13 | 12 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c(F)cc(O)cc1F)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4557984 | 174737 | None | 0 | Rat | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 961 | 26 | 13 | 12 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c(F)cc(O)cc1F)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 10533900 | 176073 | None | 11 | Rat | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 955 | 27 | 14 | 13 | -2.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O | nan | |||
| CHEMBL4588454 | 176073 | None | 11 | Rat | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 955 | 27 | 14 | 13 | -2.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O | nan | |||
| 155544246 | 173470 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 887 | 24 | 12 | 11 | -1.8 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL4527484 | 173470 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 887 | 24 | 12 | 11 | -1.8 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| 155553003 | 174180 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 791 | 23 | 12 | 11 | -4.0 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)C(C)C)C(C)C | nan | |||
| CHEMBL4544308 | 174180 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 791 | 23 | 12 | 11 | -4.0 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)C(C)C)C(C)C | nan | |||
| 155561477 | 175296 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 811 | 22 | 12 | 11 | -3.0 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL4570840 | 175296 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 811 | 22 | 12 | 11 | -3.0 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| 155562469 | 175325 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 966 | 29 | 12 | 12 | -1.1 | C=CCOc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(=O)O)[C@@H](C)CC)cc1 | nan | |||
| CHEMBL4571382 | 175325 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 966 | 29 | 12 | 12 | -1.1 | C=CCOc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(=O)O)[C@@H](C)CC)cc1 | nan | |||
| 155553930 | 175545 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 1177 | 26 | 13 | 12 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4576650 | 175545 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 1177 | 26 | 13 | 12 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155551279 | 174091 | None | 0 | Human | Binding | pEC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 877 | 29 | 13 | 12 | -2.3 | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](CCCCN)CN[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | 10.1021/acs.jmedchem.8b00435 | |||
| CHEMBL4542269 | 174091 | None | 0 | Human | Binding | pEC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 877 | 29 | 13 | 12 | -2.3 | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](CCCCN)CN[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | 10.1021/acs.jmedchem.8b00435 | |||
| 3082475 | 3877 | None | 19 | Human | Binding | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | None | None | None | None | nan | |||||
| 6902 | 3877 | None | 19 | Human | Binding | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | None | None | None | None | nan | |||||
| CHEMBL4297447 | 3877 | None | 19 | Human | Binding | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | None | None | None | None | nan | |||||
| DB12199 | 3877 | None | 19 | Human | Binding | pEC50 | = | 7.8 | 7.8 | - | 1 | ChEMBL | None | None | None | None | nan | |||||
| 70538373 | 175602 | None | 0 | Rat | Binding | pEC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 840 | 23 | 12 | 11 | -1.8 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)C | nan | |||
| CHEMBL4577691 | 175602 | None | 0 | Rat | Binding | pEC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 840 | 23 | 12 | 11 | -1.8 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)C | nan | |||
| 155554865 | 174458 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 2269 | 27 | 21 | 24 | 3.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC1=O | nan | |||
| CHEMBL4551317 | 174458 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 2269 | 27 | 21 | 24 | 3.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC1=O | nan | |||
| 54726671 | 94676 | None | 0 | Bovine | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 471 | 5 | 2 | 6 | 5.3 | O=c1c(-c2ccccc2)c(O)c2ccccc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(01)81134-3 | |||
| CHEMBL25226 | 94676 | None | 0 | Bovine | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 471 | 5 | 2 | 6 | 5.3 | O=c1c(-c2ccccc2)c(O)c2ccccc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(01)81134-3 | |||
| 155560095 | 175026 | None | 0 | Rat | Binding | pEC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 975 | 26 | 14 | 13 | -2.0 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| CHEMBL4564950 | 175026 | None | 0 | Rat | Binding | pEC50 | = | 7.8 | 7.8 | - | 0 | ChEMBL | 975 | 26 | 14 | 13 | -2.0 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| 155563538 | 175404 | None | 0 | Rat | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 925 | 26 | 13 | 12 | -2.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O | nan | |||
| CHEMBL4573250 | 175404 | None | 0 | Rat | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 925 | 26 | 13 | 12 | -2.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O | nan | |||
| 155565687 | 175687 | None | 0 | Rat | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 961 | 26 | 14 | 13 | -2.1 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| CHEMBL4579604 | 175687 | None | 0 | Rat | Binding | pEC50 | = | 6.8 | 6.8 | - | 0 | ChEMBL | 961 | 26 | 14 | 13 | -2.1 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| 155556507 | 174590 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 910 | 26 | 12 | 11 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4554466 | 174590 | None | 0 | Human | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 910 | 26 | 12 | 11 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 54726670 | 94017 | None | 0 | Bovine | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 491 | 7 | 2 | 5 | 6.2 | CCOc1ccc2c(O)c(-c3ccccc3)c(=O)n(Cc3ccc(-c4ccccc4C(=O)O)cc3)c2c1 | 10.1016/S0960-894X(01)81134-3 | |||
| CHEMBL24842 | 94017 | None | 0 | Bovine | Binding | pEC50 | = | 5.8 | 5.8 | - | 0 | ChEMBL | 491 | 7 | 2 | 5 | 6.2 | CCOc1ccc2c(O)c(-c3ccccc3)c(=O)n(Cc3ccc(-c4ccccc4C(=O)O)cc3)c2c1 | 10.1016/S0960-894X(01)81134-3 | |||
| 155560463 | 175144 | None | 0 | Rat | Binding | pEC50 | = | 7.7 | 7.7 | - | 0 | ChEMBL | 1052 | 28 | 14 | 13 | -0.8 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O)C(C)C | nan | |||
| CHEMBL4567667 | 175144 | None | 0 | Rat | Binding | pEC50 | = | 7.7 | 7.7 | - | 0 | ChEMBL | 1052 | 28 | 14 | 13 | -0.8 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O)C(C)C | nan | |||
| 155553003 | 174180 | None | 0 | Rat | Binding | pEC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 791 | 23 | 12 | 11 | -4.0 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)C(C)C)C(C)C | nan | |||
| CHEMBL4544308 | 174180 | None | 0 | Rat | Binding | pEC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 791 | 23 | 12 | 11 | -4.0 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)C(C)C)C(C)C | nan | |||
| 155554865 | 174458 | None | 0 | Rat | Binding | pEC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 2269 | 27 | 21 | 24 | 3.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC1=O | nan | |||
| CHEMBL4551317 | 174458 | None | 0 | Rat | Binding | pEC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 2269 | 27 | 21 | 24 | 3.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC1=O | nan | |||
| 155564502 | 175364 | None | 0 | Rat | Binding | pEC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 2296 | 33 | 30 | 27 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC1=O | nan | |||
| CHEMBL4572408 | 175364 | None | 0 | Rat | Binding | pEC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 2296 | 33 | 30 | 27 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC1=O | nan | |||
| 155560463 | 175144 | None | 0 | Human | Binding | pEC50 | = | 7.7 | 7.7 | - | 0 | ChEMBL | 1052 | 28 | 14 | 13 | -0.8 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O)C(C)C | nan | |||
| CHEMBL4567667 | 175144 | None | 0 | Human | Binding | pEC50 | = | 7.7 | 7.7 | - | 0 | ChEMBL | 1052 | 28 | 14 | 13 | -0.8 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O)C(C)C | nan | |||
| 155551762 | 174114 | None | 0 | Human | Binding | pEC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 911 | 26 | 13 | 12 | -2.2 | CCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4542709 | 174114 | None | 0 | Human | Binding | pEC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 911 | 26 | 13 | 12 | -2.2 | CCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155552995 | 174216 | None | 0 | Rat | Binding | pEC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 940 | 27 | 12 | 12 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O | nan | |||
| CHEMBL4545399 | 174216 | None | 0 | Rat | Binding | pEC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 940 | 27 | 12 | 12 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O | nan | |||
| 155556530 | 174615 | None | 0 | Rat | Binding | pEC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 911 | 25 | 13 | 12 | -2.9 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C | nan | |||
| CHEMBL4555119 | 174615 | None | 0 | Rat | Binding | pEC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 911 | 25 | 13 | 12 | -2.9 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C | nan | |||
| 155568109 | 176143 | None | 0 | Human | Binding | pEC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 945 | 26 | 13 | 12 | -2.0 | CN[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL4590381 | 176143 | None | 0 | Human | Binding | pEC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 945 | 26 | 13 | 12 | -2.0 | CN[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL2392353 | 212873 | None | 5 | Human | Binding | pEC50 | = | 7.7 | 7.7 | - | 1 | ChEMBL | None | None | None | None | nan | |||||
| 155556530 | 174615 | None | 0 | Human | Binding | pEC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 911 | 25 | 13 | 12 | -2.9 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C | nan | |||
| CHEMBL4555119 | 174615 | None | 0 | Human | Binding | pEC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 911 | 25 | 13 | 12 | -2.9 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C | nan | |||
| 11944 | 3876 | None | 0 | Human | Binding | pEC50 | = | 5.7 | 5.7 | - | 1 | ChEMBL | None | None | None | None | nan | |||||
| 155552190 | 3876 | None | 0 | Human | Binding | pEC50 | = | 5.7 | 5.7 | - | 1 | ChEMBL | None | None | None | None | nan | |||||
| CHEMBL4544228 | 3876 | None | 0 | Human | Binding | pEC50 | = | 5.7 | 5.7 | - | 1 | ChEMBL | None | None | None | None | nan | |||||
| 155540470 | 172579 | None | 0 | Rat | Binding | pEC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 961 | 26 | 14 | 13 | -2.3 | CN[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL4482867 | 172579 | None | 0 | Rat | Binding | pEC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 961 | 26 | 14 | 13 | -2.3 | CN[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| 155553311 | 174237 | None | 0 | Rat | Binding | pEC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 940 | 26 | 13 | 12 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O | nan | |||
| CHEMBL4546162 | 174237 | None | 0 | Rat | Binding | pEC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 940 | 26 | 13 | 12 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O | nan | |||
| 154573825 | 176093 | None | 11 | Human | Binding | pEC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 742 | 22 | 12 | 10 | -2.4 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)C(C)C)C(C)C | nan | |||
| CHEMBL4588946 | 176093 | None | 11 | Human | Binding | pEC50 | = | 6.7 | 6.7 | - | 0 | ChEMBL | 742 | 22 | 12 | 10 | -2.4 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)C(C)C)C(C)C | nan | |||
| 54726676 | 99281 | None | 0 | Bovine | Binding | pEC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 501 | 6 | 2 | 7 | 5.3 | COc1ccc2c(O)c(-c3ccccc3)c(=O)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1 | 10.1016/S0960-894X(01)81134-3 | |||
| CHEMBL28162 | 99281 | None | 0 | Bovine | Binding | pEC50 | = | 5.7 | 5.7 | - | 0 | ChEMBL | 501 | 6 | 2 | 7 | 5.3 | COc1ccc2c(O)c(-c3ccccc3)c(=O)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1 | 10.1016/S0960-894X(01)81134-3 | |||
| 155540328 | 173004 | None | 0 | Rat | Binding | pEC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 1017 | 28 | 14 | 13 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(N)=O | nan | |||
| CHEMBL4516066 | 173004 | None | 0 | Rat | Binding | pEC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 1017 | 28 | 14 | 13 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(N)=O | nan | |||
| 155547428 | 173719 | None | 0 | Human | Binding | pEC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 959 | 26 | 13 | 12 | -1.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)c(Cl)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4533618 | 173719 | None | 0 | Human | Binding | pEC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 959 | 26 | 13 | 12 | -1.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)c(Cl)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155568318 | 176206 | None | 0 | Human | Binding | pEC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 940 | 26 | 13 | 12 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O | nan | |||
| CHEMBL4591448 | 176206 | None | 0 | Human | Binding | pEC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 940 | 26 | 13 | 12 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O | nan | |||
| 155559827 | 175019 | None | 0 | Rat | Binding | pEC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 970 | 27 | 13 | 14 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4564617 | 175019 | None | 0 | Rat | Binding | pEC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 970 | 27 | 13 | 14 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155565112 | 175603 | None | 0 | Human | Binding | pEC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 1081 | 26 | 13 | 12 | -0.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4577692 | 175603 | None | 0 | Human | Binding | pEC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 1081 | 26 | 13 | 12 | -0.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155558784 | 174880 | None | 0 | Rat | Binding | pEC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 756 | 9 | 7 | 8 | 1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC1=O | nan | |||
| CHEMBL4561366 | 174880 | None | 0 | Rat | Binding | pEC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 756 | 9 | 7 | 8 | 1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC1=O | nan | |||
| 155540639 | 173036 | None | 0 | Rat | Binding | pEC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 947 | 25 | 14 | 13 | -2.5 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| CHEMBL4516768 | 173036 | None | 0 | Rat | Binding | pEC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 947 | 25 | 14 | 13 | -2.5 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| 155553479 | 174282 | None | 0 | Rat | Binding | pEC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 949 | 26 | 14 | 13 | -3.0 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| CHEMBL4547423 | 174282 | None | 0 | Rat | Binding | pEC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 949 | 26 | 14 | 13 | -3.0 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| 155558428 | 174833 | None | 0 | Rat | Binding | pEC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 897 | 26 | 15 | 12 | -3.8 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL4560224 | 174833 | None | 0 | Rat | Binding | pEC50 | = | 7.6 | 7.6 | - | 0 | ChEMBL | 897 | 26 | 15 | 12 | -3.8 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| 155553479 | 174282 | None | 0 | Human | Binding | pEC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 949 | 26 | 14 | 13 | -3.0 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| CHEMBL4547423 | 174282 | None | 0 | Human | Binding | pEC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 949 | 26 | 14 | 13 | -3.0 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| 155543972 | 175119 | None | 0 | Rat | Binding | pEC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 917 | 28 | 13 | 12 | -1.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4567103 | 175119 | None | 0 | Rat | Binding | pEC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 917 | 28 | 13 | 12 | -1.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155567790 | 176157 | None | 0 | Rat | Binding | pEC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 877 | 24 | 13 | 12 | -3.1 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL4590589 | 176157 | None | 0 | Rat | Binding | pEC50 | = | 6.6 | 6.6 | - | 0 | ChEMBL | 877 | 24 | 13 | 12 | -3.1 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| 155556507 | 174590 | None | 0 | Rat | Binding | pEC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 910 | 26 | 12 | 11 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4554466 | 174590 | None | 0 | Rat | Binding | pEC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 910 | 26 | 12 | 11 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 130762 | 98300 | None | 4 | Bovine | Binding | pEC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 398 | 8 | 2 | 4 | 4.8 | CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/S0960-894X(01)81134-3 | |||
| CHEMBL274447 | 98300 | None | 4 | Bovine | Binding | pEC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 398 | 8 | 2 | 4 | 4.8 | CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/S0960-894X(01)81134-3 | |||
| 155568109 | 176143 | None | 0 | Rat | Binding | pEC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 945 | 26 | 13 | 12 | -2.0 | CN[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL4590381 | 176143 | None | 0 | Rat | Binding | pEC50 | = | 5.6 | 5.6 | - | 0 | ChEMBL | 945 | 26 | 13 | 12 | -2.0 | CN[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL77838 | 218368 | None | 5 | Human | Binding | pEC50 | = | 8.5 | 8.5 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(C)C)C(=O)O | nan | |||||
| 155558428 | 174833 | None | 0 | Human | Binding | pEC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 897 | 26 | 15 | 12 | -3.8 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL4560224 | 174833 | None | 0 | Human | Binding | pEC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 897 | 26 | 15 | 12 | -3.8 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| 155560095 | 175026 | None | 0 | Human | Binding | pEC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 975 | 26 | 14 | 13 | -2.0 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| CHEMBL4564950 | 175026 | None | 0 | Human | Binding | pEC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 975 | 26 | 14 | 13 | -2.0 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| 155548506 | 173858 | None | 0 | Rat | Binding | pEC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 926 | 25 | 13 | 12 | -1.9 | CN[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C | nan | |||
| CHEMBL4536886 | 173858 | None | 0 | Rat | Binding | pEC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 926 | 25 | 13 | 12 | -1.9 | CN[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C | nan | |||
| 155569246 | 176287 | None | 0 | Rat | Binding | pEC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 869 | 25 | 13 | 12 | -3.2 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL4593310 | 176287 | None | 0 | Rat | Binding | pEC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 869 | 25 | 13 | 12 | -3.2 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| 155568804 | 176224 | None | 0 | Human | Binding | pEC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 927 | 26 | 13 | 13 | -2.9 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O)[C@@H](C)OC)C(C)C | nan | |||
| CHEMBL4591857 | 176224 | None | 0 | Human | Binding | pEC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 927 | 26 | 13 | 13 | -2.9 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O)[C@@H](C)OC)C(C)C | nan | |||
| 155568318 | 176206 | None | 0 | Rat | Binding | pEC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 940 | 26 | 13 | 12 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O | nan | |||
| CHEMBL4591448 | 176206 | None | 0 | Rat | Binding | pEC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 940 | 26 | 13 | 12 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O | nan | |||
| 155543091 | 173283 | None | 0 | Human | Binding | pEC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 940 | 26 | 13 | 12 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4522246 | 173283 | None | 0 | Human | Binding | pEC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 940 | 26 | 13 | 12 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155550799 | 174378 | None | 0 | Human | Binding | pEC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 959 | 26 | 13 | 12 | -1.7 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| CHEMBL4549405 | 174378 | None | 0 | Human | Binding | pEC50 | = | 7.5 | 7.5 | - | 0 | ChEMBL | 959 | 26 | 13 | 12 | -1.7 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| 155540639 | 173036 | None | 0 | Human | Binding | pEC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 947 | 25 | 14 | 13 | -2.5 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| CHEMBL4516768 | 173036 | None | 0 | Human | Binding | pEC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 947 | 25 | 14 | 13 | -2.5 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| 155544988 | 173546 | None | 0 | Human | Binding | pEC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 853 | 24 | 12 | 11 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(N)=O | nan | |||
| CHEMBL4529051 | 173546 | None | 0 | Human | Binding | pEC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 853 | 24 | 12 | 11 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(N)=O | nan | |||
| 155565687 | 175687 | None | 0 | Human | Binding | pEC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 961 | 26 | 14 | 13 | -2.1 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| CHEMBL4579604 | 175687 | None | 0 | Human | Binding | pEC50 | = | 6.5 | 6.5 | - | 0 | ChEMBL | 961 | 26 | 14 | 13 | -2.1 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| 1610 | 2347 | None | 64 | Bovine | Binding | pEC50 | = | 6.5 | 6.5 | - | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/S0960-894X(01)81134-3 | |||
| 3941 | 2347 | None | 64 | Bovine | Binding | pEC50 | = | 6.5 | 6.5 | - | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/S0960-894X(01)81134-3 | |||
| 3961 | 2347 | None | 64 | Bovine | Binding | pEC50 | = | 6.5 | 6.5 | - | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/S0960-894X(01)81134-3 | |||
| 3961.0 | 2347 | None | 64 | Bovine | Binding | pEC50 | = | 6.5 | 6.5 | - | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/S0960-894X(01)81134-3 | |||
| 590 | 2347 | None | 64 | Bovine | Binding | pEC50 | = | 6.5 | 6.5 | - | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/S0960-894X(01)81134-3 | |||
| CHEMBL191 | 2347 | None | 64 | Bovine | Binding | pEC50 | = | 6.5 | 6.5 | - | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/S0960-894X(01)81134-3 | |||
| DB00678 | 2347 | None | 64 | Bovine | Binding | pEC50 | = | 6.5 | 6.5 | - | 5 | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1016/S0960-894X(01)81134-3 | |||
| 155563973 | 175465 | None | 0 | Rat | Binding | pEC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 941 | 27 | 14 | 13 | -3.1 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| CHEMBL4574655 | 175465 | None | 0 | Rat | Binding | pEC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 941 | 27 | 14 | 13 | -3.1 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| 155541295 | 173114 | None | 0 | Rat | Binding | pEC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 926 | 25 | 12 | 12 | -2.0 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| CHEMBL4518318 | 173114 | None | 0 | Rat | Binding | pEC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 926 | 25 | 12 | 12 | -2.0 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| 145925550 | 175576 | None | 0 | Rat | Binding | pEC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 903 | 24 | 13 | 12 | -2.1 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL4577270 | 175576 | None | 0 | Rat | Binding | pEC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 903 | 24 | 13 | 12 | -2.1 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| 155539838 | 172998 | None | 0 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 940 | 26 | 13 | 12 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4515848 | 172998 | None | 0 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 940 | 26 | 13 | 12 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 11943 | 3875 | None | 0 | Rat | Binding | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | None | None | None | None | nan | |||||
| 145925549 | 3875 | None | 0 | Rat | Binding | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | None | None | None | None | nan | |||||
| CHEMBL4438122 | 3875 | None | 0 | Rat | Binding | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | None | None | None | None | nan | |||||
| 155540033 | 172993 | None | 0 | Human | Binding | pEC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 953 | 27 | 13 | 12 | -1.9 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(C)C)C(N)=O | nan | |||
| CHEMBL4515768 | 172993 | None | 0 | Human | Binding | pEC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 953 | 27 | 13 | 12 | -1.9 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(C)C)C(N)=O | nan | |||
| 155520014 | 173339 | None | 0 | Rat | Binding | pEC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 975 | 27 | 14 | 13 | -1.9 | CN[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL4524300 | 173339 | None | 0 | Rat | Binding | pEC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 975 | 27 | 14 | 13 | -1.9 | CN[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL312754 | 213569 | None | 13 | Rat | Binding | pEC50 | = | 8.3 | 8.3 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O | nan | |||||
| 155548506 | 173858 | None | 0 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 926 | 25 | 13 | 12 | -1.9 | CN[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C | nan | |||
| CHEMBL4536886 | 173858 | None | 0 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 926 | 25 | 13 | 12 | -1.9 | CN[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C | nan | |||
| 155548148 | 173819 | None | 0 | Rat | Binding | pEC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 943 | 26 | 14 | 14 | -3.2 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)[C@@H](C)OC)C(C)C | nan | |||
| CHEMBL4535997 | 173819 | None | 0 | Rat | Binding | pEC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 943 | 26 | 14 | 14 | -3.2 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)[C@@H](C)OC)C(C)C | nan | |||
| 155554529 | 174737 | None | 0 | Human | Binding | pEC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 961 | 26 | 13 | 12 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c(F)cc(O)cc1F)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4557984 | 174737 | None | 0 | Human | Binding | pEC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 961 | 26 | 13 | 12 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c(F)cc(O)cc1F)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155566196 | 175850 | None | 0 | Rat | Binding | pEC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 954 | 26 | 13 | 12 | -1.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4583284 | 175850 | None | 0 | Rat | Binding | pEC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 954 | 26 | 13 | 12 | -1.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155558003 | 174797 | None | 0 | Rat | Binding | pEC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 1015 | 28 | 13 | 16 | -2.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4559421 | 174797 | None | 0 | Rat | Binding | pEC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 1015 | 28 | 13 | 16 | -2.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 70538373 | 175602 | None | 0 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 840 | 23 | 12 | 11 | -1.8 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)C | nan | |||
| CHEMBL4577691 | 175602 | None | 0 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 840 | 23 | 12 | 11 | -1.8 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)C | nan | |||
| 154573825 | 176093 | None | 11 | Rat | Binding | pEC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 742 | 22 | 12 | 10 | -2.4 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)C(C)C)C(C)C | nan | |||
| CHEMBL4588946 | 176093 | None | 11 | Rat | Binding | pEC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 742 | 22 | 12 | 10 | -2.4 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)C(C)C)C(C)C | nan | |||
| 155561477 | 175296 | None | 0 | Rat | Binding | pEC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 811 | 22 | 12 | 11 | -3.0 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL4570840 | 175296 | None | 0 | Rat | Binding | pEC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 811 | 22 | 12 | 11 | -3.0 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| 155559104 | 174910 | None | 0 | Rat | Binding | pEC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 940 | 26 | 12 | 12 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O | nan | |||
| CHEMBL4562270 | 174910 | None | 0 | Rat | Binding | pEC50 | = | 7.4 | 7.4 | - | 0 | ChEMBL | 940 | 26 | 12 | 12 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O | nan | |||
| 155552475 | 174156 | None | 0 | Human | Binding | pEC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 947 | 25 | 14 | 13 | -2.5 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| CHEMBL4543860 | 174156 | None | 0 | Human | Binding | pEC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 947 | 25 | 14 | 13 | -2.5 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| 155560024 | 174994 | None | 0 | Rat | Binding | pEC50 | = | 4.4 | 4.4 | - | 0 | ChEMBL | 782 | 21 | 11 | 10 | -1.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| CHEMBL4564094 | 174994 | None | 0 | Rat | Binding | pEC50 | = | 4.4 | 4.4 | - | 0 | ChEMBL | 782 | 21 | 11 | 10 | -1.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| 11943 | 3875 | None | 0 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00435 | |||||
| 145925549 | 3875 | None | 0 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00435 | |||||
| CHEMBL4438122 | 3875 | None | 0 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00435 | |||||
| 11943 | 3875 | None | 0 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | None | None | None | None | nan | |||||
| 145925549 | 3875 | None | 0 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | None | None | None | None | nan | |||||
| CHEMBL4438122 | 3875 | None | 0 | Human | Binding | pEC50 | = | 7.4 | 7.4 | - | 1 | ChEMBL | None | None | None | None | nan | |||||
| 155542907 | 173280 | None | 0 | Rat | Binding | pEC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 904 | 24 | 13 | 12 | -1.5 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C | nan | |||
| CHEMBL4522038 | 173280 | None | 0 | Rat | Binding | pEC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 904 | 24 | 13 | 12 | -1.5 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C | nan | |||
| 155541125 | 173068 | None | 0 | Human | Binding | pEC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 904 | 27 | 12 | 11 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(C)C)C(=O)O | nan | |||
| CHEMBL4517561 | 173068 | None | 0 | Human | Binding | pEC50 | = | 6.4 | 6.4 | - | 1 | ChEMBL | 904 | 27 | 12 | 11 | -1.2 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(C)C)C(=O)O | nan | |||
| 155552475 | 174156 | None | 0 | Rat | Binding | pEC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 947 | 25 | 14 | 13 | -2.5 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| CHEMBL4543860 | 174156 | None | 0 | Rat | Binding | pEC50 | = | 6.4 | 6.4 | - | 0 | ChEMBL | 947 | 25 | 14 | 13 | -2.5 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| 155561376 | 175779 | None | 0 | Human | Binding | pEC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 917 | 28 | 12 | 11 | -1.4 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(N)=O | nan | |||
| CHEMBL4581718 | 175779 | None | 0 | Human | Binding | pEC50 | = | 5.4 | 5.4 | - | 0 | ChEMBL | 917 | 28 | 12 | 11 | -1.4 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(N)=O | nan | |||
| 155560024 | 174994 | None | 0 | Human | Binding | pEC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 782 | 21 | 11 | 10 | -1.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| CHEMBL4564094 | 174994 | None | 0 | Human | Binding | pEC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 782 | 21 | 11 | 10 | -1.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| 155553098 | 174214 | None | 0 | Human | Binding | pEC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 969 | 28 | 16 | 13 | -3.7 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| CHEMBL4545153 | 174214 | None | 0 | Human | Binding | pEC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 969 | 28 | 16 | 13 | -3.7 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| 155553311 | 174237 | None | 0 | Human | Binding | pEC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 940 | 26 | 13 | 12 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O | nan | |||
| CHEMBL4546162 | 174237 | None | 0 | Human | Binding | pEC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 940 | 26 | 13 | 12 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O | nan | |||
| 155540547 | 172624 | None | 0 | Rat | Binding | pEC50 | = | 8.3 | 8.3 | - | 0 | ChEMBL | 945 | 26 | 13 | 13 | -2.8 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)c(F)c1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)[C@@H](C)OC)C(C)C | nan | |||
| CHEMBL4483576 | 172624 | None | 0 | Rat | Binding | pEC50 | = | 8.3 | 8.3 | - | 0 | ChEMBL | 945 | 26 | 13 | 13 | -2.8 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)c(F)c1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)[C@@H](C)OC)C(C)C | nan | |||
| 155548148 | 173819 | None | 0 | Human | Binding | pEC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 943 | 26 | 14 | 14 | -3.2 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)[C@@H](C)OC)C(C)C | nan | |||
| CHEMBL4535997 | 173819 | None | 0 | Human | Binding | pEC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 943 | 26 | 14 | 14 | -3.2 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)[C@@H](C)OC)C(C)C | nan | |||
| 155551762 | 174114 | None | 0 | Rat | Binding | pEC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 911 | 26 | 13 | 12 | -2.2 | CCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4542709 | 174114 | None | 0 | Rat | Binding | pEC50 | = | 7.3 | 7.3 | - | 0 | ChEMBL | 911 | 26 | 13 | 12 | -2.2 | CCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155546362 | 173655 | None | 0 | Rat | Binding | pEC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 966 | 26 | 12 | 12 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN1CCCC1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4532075 | 173655 | None | 0 | Rat | Binding | pEC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 966 | 26 | 12 | 12 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN1CCCC1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155553930 | 175545 | None | 0 | Rat | Binding | pEC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 1177 | 26 | 13 | 12 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4576650 | 175545 | None | 0 | Rat | Binding | pEC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 1177 | 26 | 13 | 12 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 54726675 | 99428 | None | 0 | Bovine | Binding | pEC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 515 | 7 | 2 | 7 | 5.7 | CCOc1ccc2c(O)c(-c3ccccc3)c(=O)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1 | 10.1016/S0960-894X(01)81134-3 | |||
| CHEMBL282566 | 99428 | None | 0 | Bovine | Binding | pEC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 515 | 7 | 2 | 7 | 5.7 | CCOc1ccc2c(O)c(-c3ccccc3)c(=O)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1 | 10.1016/S0960-894X(01)81134-3 | |||
| 155558003 | 174797 | None | 0 | Human | Binding | pEC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 1015 | 28 | 13 | 16 | -2.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4559421 | 174797 | None | 0 | Human | Binding | pEC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 1015 | 28 | 13 | 16 | -2.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 86727577 | 116040 | None | 0 | Human | Binding | pEC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 422 | 2 | 1 | 5 | 3.6 | C[C@H]1CN(C)CC[C@H]1c1cc2c(cc1-c1ccccc1F)OCC1=NNC(=O)[C@@H](C)N12 | 10.1021/jm5013006 | |||
| CHEMBL3355127 | 116040 | None | 0 | Human | Binding | pEC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 422 | 2 | 1 | 5 | 3.6 | C[C@H]1CN(C)CC[C@H]1c1cc2c(cc1-c1ccccc1F)OCC1=NNC(=O)[C@@H](C)N12 | 10.1021/jm5013006 | |||
| 155555310 | 174463 | None | 0 | Human | Binding | pEC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 931 | 25 | 13 | 12 | -2.2 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| CHEMBL4551431 | 174463 | None | 0 | Human | Binding | pEC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 931 | 25 | 13 | 12 | -2.2 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| 155555310 | 174463 | None | 0 | Rat | Binding | pEC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 931 | 25 | 13 | 12 | -2.2 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| CHEMBL4551431 | 174463 | None | 0 | Rat | Binding | pEC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 931 | 25 | 13 | 12 | -2.2 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| 10533900 | 176073 | None | 11 | Human | Binding | pEC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 955 | 27 | 14 | 13 | -2.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O | nan | |||
| CHEMBL4588454 | 176073 | None | 11 | Human | Binding | pEC50 | = | 6.3 | 6.3 | - | 0 | ChEMBL | 955 | 27 | 14 | 13 | -2.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O | nan | |||
| 90219582 | 116041 | None | 0 | Human | Binding | pEC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 436 | 2 | 1 | 5 | 3.9 | Cc1ccc(-c2cc3c(cc2[C@@H]2CCN(C)C[C@@H]2C)N2C(=NNC(=O)[C@H]2C)CO3)c(F)c1 | 10.1021/jm5013006 | |||
| CHEMBL3355137 | 116041 | None | 0 | Human | Binding | pEC50 | = | 5.3 | 5.3 | - | 0 | ChEMBL | 436 | 2 | 1 | 5 | 3.9 | Cc1ccc(-c2cc3c(cc2[C@@H]2CCN(C)C[C@@H]2C)N2C(=NNC(=O)[C@H]2C)CO3)c(F)c1 | 10.1021/jm5013006 | |||
| 155552995 | 174216 | None | 0 | Human | Binding | pEC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 940 | 27 | 12 | 12 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O | nan | |||
| CHEMBL4545399 | 174216 | None | 0 | Human | Binding | pEC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 940 | 27 | 12 | 12 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O | nan | |||
| CHEMBL77838 | 218368 | None | 5 | Rat | Binding | pEC50 | = | 8.2 | 8.2 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(C)C)C(=O)O | nan | |||||
| 16133225 | 419 | None | 38 | Rat | Binding | pEC50 | = | 8.2 | 8.2 | - | 4 | ChEMBL | None | None | None | None | nan | |||||
| 172198 | 419 | None | 38 | Rat | Binding | pEC50 | = | 8.2 | 8.2 | - | 4 | ChEMBL | None | None | None | None | nan | |||||
| 172198.0 | 419 | None | 38 | Rat | Binding | pEC50 | = | 8.2 | 8.2 | - | 4 | ChEMBL | None | None | None | None | nan | |||||
| 2504 | 419 | None | 38 | Rat | Binding | pEC50 | = | 8.2 | 8.2 | - | 4 | ChEMBL | None | None | None | None | nan | |||||
| 45266664 | 419 | None | 38 | Rat | Binding | pEC50 | = | 8.2 | 8.2 | - | 4 | ChEMBL | None | None | None | None | nan | |||||
| 5272 | 419 | None | 38 | Rat | Binding | pEC50 | = | 8.2 | 8.2 | - | 4 | ChEMBL | None | None | None | None | nan | |||||
| CHEMBL408403 | 419 | None | 38 | Rat | Binding | pEC50 | = | 8.2 | 8.2 | - | 4 | ChEMBL | None | None | None | None | nan | |||||
| DB11842 | 419 | None | 38 | Rat | Binding | pEC50 | = | 8.2 | 8.2 | - | 4 | ChEMBL | None | None | None | None | nan | |||||
| 54726672 | 99361 | None | 0 | Bovine | Binding | pEC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 517 | 6 | 2 | 7 | 6.0 | CSc1ccc2c(O)c(-c3ccccc3)c(=O)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1 | 10.1016/S0960-894X(01)81134-3 | |||
| CHEMBL282082 | 99361 | None | 0 | Bovine | Binding | pEC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 517 | 6 | 2 | 7 | 6.0 | CSc1ccc2c(O)c(-c3ccccc3)c(=O)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1 | 10.1016/S0960-894X(01)81134-3 | |||
| 54726668 | 97298 | None | 0 | Bovine | Binding | pEC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 477 | 5 | 2 | 7 | 5.3 | O=c1c(-c2ccccc2)c(O)c2sccc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(01)81134-3 | |||
| CHEMBL26875 | 97298 | None | 0 | Bovine | Binding | pEC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 477 | 5 | 2 | 7 | 5.3 | O=c1c(-c2ccccc2)c(O)c2sccc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(01)81134-3 | |||
| 155559827 | 175019 | None | 0 | Human | Binding | pEC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 970 | 27 | 13 | 14 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4564617 | 175019 | None | 0 | Human | Binding | pEC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 970 | 27 | 13 | 14 | -2.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155539838 | 172998 | None | 0 | Rat | Binding | pEC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 940 | 26 | 13 | 12 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4515848 | 172998 | None | 0 | Rat | Binding | pEC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 940 | 26 | 13 | 12 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155547844 | 173802 | None | 0 | Rat | Binding | pEC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 942 | 26 | 14 | 13 | -2.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4535678 | 173802 | None | 0 | Rat | Binding | pEC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 942 | 26 | 14 | 13 | -2.2 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155553098 | 174214 | None | 0 | Rat | Binding | pEC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 969 | 28 | 16 | 13 | -3.7 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| CHEMBL4545153 | 174214 | None | 0 | Rat | Binding | pEC50 | = | 7.2 | 7.2 | - | 0 | ChEMBL | 969 | 28 | 16 | 13 | -3.7 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C | nan | |||
| 155566196 | 175850 | None | 0 | Human | Binding | pEC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 954 | 26 | 13 | 12 | -1.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4583284 | 175850 | None | 0 | Human | Binding | pEC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 954 | 26 | 13 | 12 | -1.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155567790 | 176157 | None | 0 | Human | Binding | pEC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 877 | 24 | 13 | 12 | -3.1 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL4590589 | 176157 | None | 0 | Human | Binding | pEC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 877 | 24 | 13 | 12 | -3.1 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| 155562469 | 175325 | None | 0 | Rat | Binding | pEC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 966 | 29 | 12 | 12 | -1.1 | C=CCOc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(=O)O)[C@@H](C)CC)cc1 | nan | |||
| CHEMBL4571382 | 175325 | None | 0 | Rat | Binding | pEC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 966 | 29 | 12 | 12 | -1.1 | C=CCOc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(=O)O)[C@@H](C)CC)cc1 | nan | |||
| 155568289 | 176231 | None | 0 | Rat | Binding | pEC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 898 | 26 | 11 | 12 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4592000 | 176231 | None | 0 | Rat | Binding | pEC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 898 | 26 | 11 | 12 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| 155544246 | 173470 | None | 0 | Rat | Binding | pEC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 887 | 24 | 12 | 11 | -1.8 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL4527484 | 173470 | None | 0 | Rat | Binding | pEC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 887 | 24 | 12 | 11 | -1.8 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| 155520024 | 173350 | None | 0 | Human | Binding | pEC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 959 | 27 | 13 | 12 | -1.6 | CN[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL4524570 | 173350 | None | 0 | Human | Binding | pEC50 | = | 5.2 | 5.2 | - | 0 | ChEMBL | 959 | 27 | 13 | 12 | -1.6 | CN[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| 155558784 | 174880 | None | 0 | Human | Binding | pEC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 756 | 9 | 7 | 8 | 1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC1=O | nan | |||
| CHEMBL4561366 | 174880 | None | 0 | Human | Binding | pEC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 756 | 9 | 7 | 8 | 1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC1=O | nan | |||
| 155543972 | 175119 | None | 0 | Human | Binding | pEC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 917 | 28 | 13 | 12 | -1.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4567103 | 175119 | None | 0 | Human | Binding | pEC50 | = | 6.2 | 6.2 | - | 0 | ChEMBL | 917 | 28 | 13 | 12 | -1.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL938 | 218397 | None | 23 | Rat | Binding | pEC50 | = | 8.1 | 8.1 | - | 2 | ChEMBL | None | None | None | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C | nan | |||||
| 155552886 | 174200 | None | 0 | Human | Binding | pEC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 961 | 26 | 13 | 13 | -2.3 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)[C@@H](C)OC)C(C)C | nan | |||
| CHEMBL4544902 | 174200 | None | 0 | Human | Binding | pEC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 961 | 26 | 13 | 13 | -2.3 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)[C@@H](C)OC)C(C)C | nan | |||
| 155552886 | 174200 | None | 0 | Rat | Binding | pEC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 961 | 26 | 13 | 13 | -2.3 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)[C@@H](C)OC)C(C)C | nan | |||
| CHEMBL4544902 | 174200 | None | 0 | Rat | Binding | pEC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 961 | 26 | 13 | 13 | -2.3 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)[C@@H](C)OC)C(C)C | nan | |||
| 145925550 | 175576 | None | 0 | Human | Binding | pEC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 903 | 24 | 13 | 12 | -2.1 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL4577270 | 175576 | None | 0 | Human | Binding | pEC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 903 | 24 | 13 | 12 | -2.1 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| 155559104 | 174910 | None | 0 | Human | Binding | pEC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 940 | 26 | 12 | 12 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O | nan | |||
| CHEMBL4562270 | 174910 | None | 0 | Human | Binding | pEC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 940 | 26 | 12 | 12 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O | nan | |||
| 155541240 | 173119 | None | 0 | Rat | Binding | pEC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 928 | 26 | 12 | 11 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL4518420 | 173119 | None | 0 | Rat | Binding | pEC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 928 | 26 | 12 | 11 | -1.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O | nan | |||
| CHEMBL2028943 | 211594 | None | 0 | Human | Binding | pEC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)O | nan | |||||
| 155552429 | 174261 | None | 0 | Rat | Binding | pEC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 927 | 26 | 13 | 13 | -2.9 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)[C@@H](C)OC)C(C)C | nan | |||
| CHEMBL4546799 | 174261 | None | 0 | Rat | Binding | pEC50 | = | 8.1 | 8.1 | - | 0 | ChEMBL | 927 | 26 | 13 | 13 | -2.9 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)[C@@H](C)OC)C(C)C | nan | |||
| 155540328 | 173004 | None | 0 | Human | Binding | pEC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 1017 | 28 | 14 | 13 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(N)=O | nan | |||
| CHEMBL4516066 | 173004 | None | 0 | Human | Binding | pEC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 1017 | 28 | 14 | 13 | -1.6 | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(N)=O | nan | |||
| 155563676 | 175448 | None | 0 | Rat | Binding | pEC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 961 | 26 | 14 | 13 | -2.1 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| CHEMBL4574199 | 175448 | None | 0 | Rat | Binding | pEC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 961 | 26 | 14 | 13 | -2.1 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| 155559120 | 174890 | None | 0 | Rat | Binding | pEC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 945 | 26 | 13 | 12 | -1.8 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| CHEMBL4561769 | 174890 | None | 0 | Rat | Binding | pEC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | 945 | 26 | 13 | 12 | -1.8 | CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O | nan | |||
| CHEMBL2370909 | 212407 | None | 0 | Human | Binding | pEC50 | = | 6.1 | 6.1 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)O | nan | |||||
| 155552429 | 174261 | None | 0 | Human | Binding | pEC50 | = | 8.0 | 8.0 | - | 0 | ChEMBL | 927 | 26 | 13 | 13 | -2.9 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)[C@@H](C)OC)C(C)C | nan | |||
| CHEMBL4546799 | 174261 | None | 0 | Human | Binding | pEC50 | = | 8.0 | 8.0 | - | 0 | ChEMBL | 927 | 26 | 13 | 13 | -2.9 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)[C@@H](C)OC)C(C)C | nan | |||
| CHEMBL312754 | 213569 | None | 13 | Human | Binding | pEC50 | = | 8.0 | 8.0 | - | 0 | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O | nan | |||||
| 155541440 | 173122 | None | 0 | Rat | Binding | pEC50 | = | 8.0 | 8.0 | - | 0 | ChEMBL | 954 | 28 | 13 | 12 | -1.1 | CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(=O)O | nan | |||
| CHEMBL4518530 | 173122 | None | 0 | Rat | Binding | pEC50 | = | 8.0 | 8.0 | - | 0 | ChEMBL | 954 | 28 | 13 | 12 | -1.1 | CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(=O)O | nan | |||
| 16133225 | 419 | None | 38 | Human | Binding | pEC50 | = | 8.0 | 8.0 | -1 | 4 | ChEMBL | None | None | None | None | nan | |||||
| 172198 | 419 | None | 38 | Human | Binding | pEC50 | = | 8.0 | 8.0 | -1 | 4 | ChEMBL | None | None | None | None | nan | |||||
| 172198.0 | 419 | None | 38 | Human | Binding | pEC50 | = | 8.0 | 8.0 | -1 | 4 | ChEMBL | None | None | None | None | nan | |||||
| 2504 | 419 | None | 38 | Human | Binding | pEC50 | = | 8.0 | 8.0 | -1 | 4 | ChEMBL | None | None | None | None | nan | |||||
| 45266664 | 419 | None | 38 | Human | Binding | pEC50 | = | 8.0 | 8.0 | -1 | 4 | ChEMBL | None | None | None | None | nan | |||||
| 5272 | 419 | None | 38 | Human | Binding | pEC50 | = | 8.0 | 8.0 | -1 | 4 | ChEMBL | None | None | None | None | nan | |||||
| CHEMBL408403 | 419 | None | 38 | Human | Binding | pEC50 | = | 8.0 | 8.0 | -1 | 4 | ChEMBL | None | None | None | None | nan | |||||
| DB11842 | 419 | None | 38 | Human | Binding | pEC50 | = | 8.0 | 8.0 | -1 | 4 | ChEMBL | None | None | None | None | nan | |||||
| 54726674 | 99784 | None | 0 | Bovine | Binding | pEC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 505 | 6 | 2 | 7 | 5.9 | CCc1cc2c(O)c(-c3ccccc3)c(=O)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2s1 | 10.1016/S0960-894X(01)81134-3 | |||
| CHEMBL284877 | 99784 | None | 0 | Bovine | Binding | pEC50 | = | 7.1 | 7.1 | - | 0 | ChEMBL | 505 | 6 | 2 | 7 | 5.9 | CCc1cc2c(O)c(-c3ccccc3)c(=O)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2s1 | 10.1016/S0960-894X(01)81134-3 | |||
| 11944 | 3876 | None | 0 | Rat | Binding | pEC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | None | None | None | None | nan | |||||
| 155552190 | 3876 | None | 0 | Rat | Binding | pEC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | None | None | None | None | nan | |||||
| CHEMBL4544228 | 3876 | None | 0 | Rat | Binding | pEC50 | = | 6.0 | 6.0 | - | 1 | ChEMBL | None | None | None | None | nan | |||||
| 155558059 | 174787 | None | 0 | Human | Binding | pEC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 790 | 23 | 12 | 11 | -4.6 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O)C(C)C)C(C)C | nan | |||
| CHEMBL4559239 | 174787 | None | 0 | Human | Binding | pEC50 | = | 6.0 | 6.0 | - | 0 | ChEMBL | 790 | 23 | 12 | 11 | -4.6 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O)C(C)C)C(C)C | nan | |||
| 155569246 | 176287 | None | 0 | Human | Binding | pEC50 | = | 7.0 | 7.0 | - | 0 | ChEMBL | 869 | 25 | 13 | 12 | -3.2 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| CHEMBL4593310 | 176287 | None | 0 | Human | Binding | pEC50 | = | 7.0 | 7.0 | - | 0 | ChEMBL | 869 | 25 | 13 | 12 | -3.2 | CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C | nan | |||
| 54726673 | 99277 | None | 0 | Bovine | Binding | pEC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 477 | 6 | 2 | 5 | 5.8 | COc1ccc2c(O)c(-c3ccccc3)c(=O)n(Cc3ccc(-c4ccccc4C(=O)O)cc3)c2c1 | 10.1016/S0960-894X(01)81134-3 | |||
| CHEMBL28160 | 99277 | None | 0 | Bovine | Binding | pEC50 | = | 5.0 | 5.0 | - | 0 | ChEMBL | 477 | 6 | 2 | 5 | 5.8 | COc1ccc2c(O)c(-c3ccccc3)c(=O)n(Cc3ccc(-c4ccccc4C(=O)O)cc3)c2c1 | 10.1016/S0960-894X(01)81134-3 | |||
| 10032858 | 29769 | None | 0 | Rabbit | Binding | pIC50 | = | 10.4 | 10.4 | - | 0 | ChEMBL | 729 | 12 | 2 | 9 | 7.1 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2occ(Cl)c2Cl)cc1 | 10.1007/s00044-013-0831-x | |||
| CHEMBL138690 | 29769 | None | 0 | Rabbit | Binding | pIC50 | = | 10.4 | 10.4 | - | 0 | ChEMBL | 729 | 12 | 2 | 9 | 7.1 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2occ(Cl)c2Cl)cc1 | 10.1007/s00044-013-0831-x | |||
| 10032858 | 29769 | None | 0 | Rabbit | Binding | pIC50 | = | 10.4 | 10.4 | - | 0 | ChEMBL | 729 | 12 | 2 | 9 | 7.1 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2occ(Cl)c2Cl)cc1 | 10.1021/jm00052a006 | |||
| CHEMBL138690 | 29769 | None | 0 | Rabbit | Binding | pIC50 | = | 10.4 | 10.4 | - | 0 | ChEMBL | 729 | 12 | 2 | 9 | 7.1 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2occ(Cl)c2Cl)cc1 | 10.1021/jm00052a006 | |||
| 9895212 | 119704 | None | 0 | Human | Binding | pIC50 | = | 10.3 | 10.3 | - | 0 | ChEMBL | 614 | 9 | 1 | 6 | 7.0 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C(c2ccccc2)c2ccccc2)cc1 | 10.1021/jm9504722 | |||
| CHEMBL346728 | 119704 | None | 0 | Human | Binding | pIC50 | = | 10.3 | 10.3 | - | 0 | ChEMBL | 614 | 9 | 1 | 6 | 7.0 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C(c2ccccc2)c2ccccc2)cc1 | 10.1021/jm9504722 | |||
| 10417251 | 96958 | None | 0 | Rabbit | Binding | pIC50 | = | 10.3 | 10.3 | - | 0 | ChEMBL | 691 | 11 | 2 | 8 | 6.5 | CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1007/s00044-013-0831-x | |||
| CHEMBL265797 | 96958 | None | 0 | Rabbit | Binding | pIC50 | = | 10.3 | 10.3 | - | 0 | ChEMBL | 691 | 11 | 2 | 8 | 6.5 | CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1007/s00044-013-0831-x | |||
| 10417251 | 96958 | None | 0 | Rabbit | Binding | pIC50 | = | 10.3 | 10.3 | - | 0 | ChEMBL | 691 | 11 | 2 | 8 | 6.5 | CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1016/S0960-894X(01)80595-3 | |||
| CHEMBL265797 | 96958 | None | 0 | Rabbit | Binding | pIC50 | = | 10.3 | 10.3 | - | 0 | ChEMBL | 691 | 11 | 2 | 8 | 6.5 | CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1016/S0960-894X(01)80595-3 | |||
| 10417251 | 96958 | None | 0 | Rabbit | Binding | pIC50 | = | 10.3 | 10.3 | - | 0 | ChEMBL | 691 | 11 | 2 | 8 | 6.5 | CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1021/jm00052a006 | |||
| CHEMBL265797 | 96958 | None | 0 | Rabbit | Binding | pIC50 | = | 10.3 | 10.3 | - | 0 | ChEMBL | 691 | 11 | 2 | 8 | 6.5 | CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1021/jm00052a006 | |||
| 10349732 | 118817 | None | 0 | Rabbit | Binding | pIC50 | = | 10.1 | 10.1 | - | 0 | ChEMBL | 695 | 13 | 2 | 9 | 7.1 | CCCCC(=O)Nc1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)OC(C)(C)C)cc3)c2=O)c1 | 10.1007/s00044-013-0831-x | |||
| CHEMBL341828 | 118817 | None | 0 | Rabbit | Binding | pIC50 | = | 10.1 | 10.1 | - | 0 | ChEMBL | 695 | 13 | 2 | 9 | 7.1 | CCCCC(=O)Nc1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)OC(C)(C)C)cc3)c2=O)c1 | 10.1007/s00044-013-0831-x | |||
| 10032820 | 117368 | None | 0 | Rabbit | Binding | pIC50 | = | 10.1 | 10.1 | - | 0 | ChEMBL | 723 | 12 | 2 | 8 | 7.0 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1F | 10.1007/s00044-011-9815-x | |||
| CHEMBL339672 | 117368 | None | 0 | Rabbit | Binding | pIC50 | = | 10.1 | 10.1 | - | 0 | ChEMBL | 723 | 12 | 2 | 8 | 7.0 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1F | 10.1007/s00044-011-9815-x | |||
| 10032820 | 117368 | None | 0 | Rabbit | Binding | pIC50 | = | 10.1 | 10.1 | - | 0 | ChEMBL | 723 | 12 | 2 | 8 | 7.0 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1F | 10.1021/jm00019a004 | |||
| CHEMBL339672 | 117368 | None | 0 | Rabbit | Binding | pIC50 | = | 10.1 | 10.1 | - | 0 | ChEMBL | 723 | 12 | 2 | 8 | 7.0 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1F | 10.1021/jm00019a004 | |||
| 10349732 | 118817 | None | 0 | Rabbit | Binding | pIC50 | = | 10.1 | 10.1 | - | 0 | ChEMBL | 695 | 13 | 2 | 9 | 7.1 | CCCCC(=O)Nc1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)OC(C)(C)C)cc3)c2=O)c1 | 10.1021/jm00052a006 | |||
| CHEMBL341828 | 118817 | None | 0 | Rabbit | Binding | pIC50 | = | 10.1 | 10.1 | - | 0 | ChEMBL | 695 | 13 | 2 | 9 | 7.1 | CCCCC(=O)Nc1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)OC(C)(C)C)cc3)c2=O)c1 | 10.1021/jm00052a006 | |||
| 10032820 | 117368 | None | 0 | Rabbit | Binding | pIC50 | = | 10.1 | 10.1 | - | 0 | ChEMBL | 723 | 12 | 2 | 8 | 7.0 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1F | 10.1007/s00044-011-9815-x | |||
| CHEMBL339672 | 117368 | None | 0 | Rabbit | Binding | pIC50 | = | 10.1 | 10.1 | - | 0 | ChEMBL | 723 | 12 | 2 | 8 | 7.0 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1F | 10.1007/s00044-011-9815-x | |||
| 10439848 | 119274 | None | 0 | Rabbit | Binding | pIC50 | = | 10.1 | 10.1 | - | 0 | ChEMBL | 717 | 12 | 2 | 8 | 6.9 | CCCCc1nn(-c2cc(NC(=O)C3CC3)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1007/s00044-013-0831-x | |||
| CHEMBL343309 | 119274 | None | 0 | Rabbit | Binding | pIC50 | = | 10.1 | 10.1 | - | 0 | ChEMBL | 717 | 12 | 2 | 8 | 6.9 | CCCCc1nn(-c2cc(NC(=O)C3CC3)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1007/s00044-013-0831-x | |||
| 10439848 | 119274 | None | 0 | Rabbit | Binding | pIC50 | = | 10.1 | 10.1 | - | 0 | ChEMBL | 717 | 12 | 2 | 8 | 6.9 | CCCCc1nn(-c2cc(NC(=O)C3CC3)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1021/jm00052a006 | |||
| CHEMBL343309 | 119274 | None | 0 | Rabbit | Binding | pIC50 | = | 10.1 | 10.1 | - | 0 | ChEMBL | 717 | 12 | 2 | 8 | 6.9 | CCCCc1nn(-c2cc(NC(=O)C3CC3)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1021/jm00052a006 | |||
| 10010071 | 117413 | None | 0 | Rabbit | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 715 | 13 | 2 | 10 | 6.1 | CCCCc1nn(-c2cc(NC(=O)COCC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F | 10.1007/s00044-011-9815-x | |||
| CHEMBL339722 | 117413 | None | 0 | Rabbit | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 715 | 13 | 2 | 10 | 6.1 | CCCCc1nn(-c2cc(NC(=O)COCC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F | 10.1007/s00044-011-9815-x | |||
| 9829012 | 92608 | None | 0 | Rabbit | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 550 | 9 | 2 | 7 | 5.5 | CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00073a024 | |||
| CHEMBL24322 | 92608 | None | 0 | Rabbit | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 550 | 9 | 2 | 7 | 5.5 | CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm00073a024 | |||
| 44311455 | 102799 | None | 0 | Human | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 782 | 17 | 1 | 9 | 8.2 | CCCc1nc(CC)c(C(=O)OCCN(C(=O)c2ccccc2)c2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F | 10.1016/S0960-894X(00)80077-3 | |||
| CHEMBL305017 | 102799 | None | 0 | Human | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 782 | 17 | 1 | 9 | 8.2 | CCCc1nc(CC)c(C(=O)OCCN(C(=O)c2ccccc2)c2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F | 10.1016/S0960-894X(00)80077-3 | |||
| 44311580 | 102834 | None | 0 | Human | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 706 | 16 | 2 | 9 | 6.9 | CCCc1nc(CC)c(C(=O)OCCC(=O)Nc2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F | 10.1016/S0960-894X(00)80077-3 | |||
| CHEMBL305238 | 102834 | None | 0 | Human | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 706 | 16 | 2 | 9 | 6.9 | CCCc1nc(CC)c(C(=O)OCCC(=O)Nc2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F | 10.1016/S0960-894X(00)80077-3 | |||
| 44311676 | 103116 | None | 0 | Human | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 706 | 17 | 2 | 9 | 7.0 | CCCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OCCC(=O)Nc2ccccc2)c(F)c1 | 10.1016/S0960-894X(00)80077-3 | |||
| CHEMBL307318 | 103116 | None | 0 | Human | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 706 | 17 | 2 | 9 | 7.0 | CCCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OCCC(=O)Nc2ccccc2)c(F)c1 | 10.1016/S0960-894X(00)80077-3 | |||
| 44311435 | 206480 | None | 0 | Human | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 693 | 17 | 1 | 9 | 7.3 | CCCc1nc(CC)c(C(=O)OCCCOc2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F | 10.1016/S0960-894X(00)80077-3 | |||
| CHEMBL69721 | 206480 | None | 0 | Human | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 693 | 17 | 1 | 9 | 7.3 | CCCc1nc(CC)c(C(=O)OCCCOc2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F | 10.1016/S0960-894X(00)80077-3 | |||
| 44311415 | 206543 | None | 0 | Human | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 705 | 17 | 1 | 9 | 7.5 | CCCc1nc(CC)c(C(=O)OCCCC(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F | 10.1016/S0960-894X(00)80077-3 | |||
| CHEMBL70161 | 206543 | None | 0 | Human | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 705 | 17 | 1 | 9 | 7.5 | CCCc1nc(CC)c(C(=O)OCCCC(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F | 10.1016/S0960-894X(00)80077-3 | |||
| 44311434 | 206582 | None | 0 | Human | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 707 | 18 | 1 | 9 | 7.5 | CCCc1nc(CC)c(C(=O)OCCCOCc2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F | 10.1016/S0960-894X(00)80077-3 | |||
| CHEMBL70370 | 206582 | None | 0 | Human | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 707 | 18 | 1 | 9 | 7.5 | CCCc1nc(CC)c(C(=O)OCCCOCc2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F | 10.1016/S0960-894X(00)80077-3 | |||
| 44311072 | 206644 | None | 0 | Human | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 679 | 15 | 1 | 9 | 7.1 | CCCc1nc(CC)c(C(=O)OCc2ccccc2OC)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F | 10.1016/S0960-894X(00)80077-3 | |||
| CHEMBL70789 | 206644 | None | 0 | Human | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 679 | 15 | 1 | 9 | 7.1 | CCCc1nc(CC)c(C(=O)OCc2ccccc2OC)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F | 10.1016/S0960-894X(00)80077-3 | |||
| 44311073 | 206658 | None | 0 | Human | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 746 | 16 | 1 | 10 | 6.6 | CCCc1nc(CC)c(C(=O)OCCCN2C(=O)c3ccccc3C2=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F | 10.1016/S0960-894X(00)80077-3 | |||
| CHEMBL70843 | 206658 | None | 0 | Human | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 746 | 16 | 1 | 10 | 6.6 | CCCc1nc(CC)c(C(=O)OCCCN2C(=O)c3ccccc3C2=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F | 10.1016/S0960-894X(00)80077-3 | |||
| 44311414 | 206681 | None | 0 | Human | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 677 | 15 | 1 | 9 | 6.8 | CCCc1nc(CC)c(C(=O)OCC(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F | 10.1016/S0960-894X(00)80077-3 | |||
| CHEMBL70935 | 206681 | None | 0 | Human | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 677 | 15 | 1 | 9 | 6.8 | CCCc1nc(CC)c(C(=O)OCC(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F | 10.1016/S0960-894X(00)80077-3 | |||
| 9829012 | 92608 | None | 0 | Rabbit | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 550 | 9 | 2 | 7 | 5.5 | CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(01)80517-5 | |||
| CHEMBL24322 | 92608 | None | 0 | Rabbit | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 550 | 9 | 2 | 7 | 5.5 | CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(01)80517-5 | |||
| 73347893 | 92679 | None | 0 | Human | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 531 | 10 | 2 | 4 | 7.3 | CCCc1nc2c(C)cc(NC(=O)CCc3ccccc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.ejmech.2013.08.014 | |||
| CHEMBL2435828 | 92679 | None | 0 | Human | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 531 | 10 | 2 | 4 | 7.3 | CCCc1nc2c(C)cc(NC(=O)CCc3ccccc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 | 10.1016/j.ejmech.2013.08.014 | |||
| 9829012 | 92608 | None | 0 | Rabbit | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 550 | 9 | 2 | 7 | 5.5 | CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80335-2 | |||
| CHEMBL24322 | 92608 | None | 0 | Rabbit | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 550 | 9 | 2 | 7 | 5.5 | CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1016/S0960-894X(00)80335-2 | |||
| 19754061 | 102789 | None | 0 | Rabbit | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 657 | 15 | 2 | 7 | 7.7 | CCCCC(=O)Nc1cc2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)CCC4CCCC4)cc3)c2nc1C | 10.1016/S0960-894X(01)81115-X | |||
| CHEMBL304947 | 102789 | None | 0 | Rabbit | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 657 | 15 | 2 | 7 | 7.7 | CCCCC(=O)Nc1cc2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)CCC4CCCC4)cc3)c2nc1C | 10.1016/S0960-894X(01)81115-X | |||
| 44309719 | 206312 | None | 0 | Rabbit | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 544 | 9 | 1 | 6 | 6.1 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)CCC2CCCC2)cc1 | 10.1016/S0960-894X(01)81115-X | |||
| CHEMBL68638 | 206312 | None | 0 | Rabbit | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 544 | 9 | 1 | 6 | 6.1 | CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)CCC2CCCC2)cc1 | 10.1016/S0960-894X(01)81115-X | |||
| 10010071 | 117413 | None | 0 | Rabbit | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 715 | 13 | 2 | 10 | 6.1 | CCCCc1nn(-c2cc(NC(=O)COCC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F | 10.1021/jm00019a004 | |||
| CHEMBL339722 | 117413 | None | 0 | Rabbit | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 715 | 13 | 2 | 10 | 6.1 | CCCCc1nn(-c2cc(NC(=O)COCC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F | 10.1021/jm00019a004 | |||
| 9829012 | 92608 | None | 0 | Rabbit | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 550 | 9 | 2 | 7 | 5.5 | CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm9504722 | |||
| CHEMBL24322 | 92608 | None | 0 | Rabbit | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 550 | 9 | 2 | 7 | 5.5 | CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm9504722 | |||
| 9829012 | 92608 | None | 0 | Human | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 550 | 9 | 2 | 7 | 5.5 | CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm058225d | |||
| CHEMBL24322 | 92608 | None | 0 | Human | Binding | pIC50 | = | 10 | 10.0 | - | 0 | ChEMBL | 550 | 9 | 2 | 7 | 5.5 | CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1021/jm058225d | |||
| 9809961 | 107217 | None | 2 | Rabbit | Binding | pIC50 | = | 10.0 | 10.0 | - | 0 | ChEMBL | 668 | 10 | 1 | 7 | 6.9 | CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1007/s00044-013-0831-x | |||
| CHEMBL316300 | 107217 | None | 2 | Rabbit | Binding | pIC50 | = | 10.0 | 10.0 | - | 0 | ChEMBL | 668 | 10 | 1 | 7 | 6.9 | CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1007/s00044-013-0831-x | |||
| 10439862 | 118836 | None | 0 | Rabbit | Binding | pIC50 | = | 10.0 | 10.0 | - | 0 | ChEMBL | 719 | 13 | 2 | 8 | 7.3 | CCCCc1nn(-c2cc(NC(=O)CCC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1007/s00044-013-0831-x | |||
| CHEMBL341934 | 118836 | None | 0 | Rabbit | Binding | pIC50 | = | 10.0 | 10.0 | - | 0 | ChEMBL | 719 | 13 | 2 | 8 | 7.3 | CCCCc1nn(-c2cc(NC(=O)CCC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1007/s00044-013-0831-x | |||
| 10010195 | 119248 | None | 0 | Rabbit | Binding | pIC50 | = | 10.0 | 10.0 | - | 0 | ChEMBL | 733 | 13 | 2 | 8 | 7.5 | CCCCc1nn(-c2cc(NC(=O)CC(C)C)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1007/s00044-013-0831-x | |||
| CHEMBL343142 | 119248 | None | 0 | Rabbit | Binding | pIC50 | = | 10.0 | 10.0 | - | 0 | ChEMBL | 733 | 13 | 2 | 8 | 7.5 | CCCCc1nn(-c2cc(NC(=O)CC(C)C)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1007/s00044-013-0831-x | |||
| 9809961 | 107217 | None | 2 | Rabbit | Binding | pIC50 | = | 10.0 | 10.0 | - | 0 | ChEMBL | 668 | 10 | 1 | 7 | 6.9 | CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1016/S0960-894X(01)80595-3 | |||
| CHEMBL316300 | 107217 | None | 2 | Rabbit | Binding | pIC50 | = | 10.0 | 10.0 | - | 0 | ChEMBL | 668 | 10 | 1 | 7 | 6.9 | CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1016/S0960-894X(01)80595-3 | |||
| 9917295 | 103013 | None | 18 | Rabbit | Binding | pIC50 | = | 10.0 | 10.0 | - | 0 | ChEMBL | 633 | 15 | 2 | 8 | 7.1 | CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc3cc(NC(=O)CCCC)c(C)nc32)cc1 | 10.1016/S0960-894X(01)81115-X | |||
| CHEMBL306407 | 103013 | None | 18 | Rabbit | Binding | pIC50 | = | 10.0 | 10.0 | - | 0 | ChEMBL | 633 | 15 | 2 | 8 | 7.1 | CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc3cc(NC(=O)CCCC)c(C)nc32)cc1 | 10.1016/S0960-894X(01)81115-X | |||
| 9809961 | 107217 | None | 2 | Rabbit | Binding | pIC50 | = | 10.0 | 10.0 | - | 0 | ChEMBL | 668 | 10 | 1 | 7 | 6.9 | CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1021/jm00043a020 | |||
| CHEMBL316300 | 107217 | None | 2 | Rabbit | Binding | pIC50 | = | 10.0 | 10.0 | - | 0 | ChEMBL | 668 | 10 | 1 | 7 | 6.9 | CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1021/jm00043a020 | |||
| 9809961 | 107217 | None | 2 | Rabbit | Binding | pIC50 | = | 10.0 | 10.0 | - | 0 | ChEMBL | 668 | 10 | 1 | 7 | 6.9 | CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1021/jm00052a006 | |||
| CHEMBL316300 | 107217 | None | 2 | Rabbit | Binding | pIC50 | = | 10.0 | 10.0 | - | 0 | ChEMBL | 668 | 10 | 1 | 7 | 6.9 | CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1021/jm00052a006 | |||
| 10439862 | 118836 | None | 0 | Rabbit | Binding | pIC50 | = | 10.0 | 10.0 | - | 0 | ChEMBL | 719 | 13 | 2 | 8 | 7.3 | CCCCc1nn(-c2cc(NC(=O)CCC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1021/jm00052a006 | |||
| CHEMBL341934 | 118836 | None | 0 | Rabbit | Binding | pIC50 | = | 10.0 | 10.0 | - | 0 | ChEMBL | 719 | 13 | 2 | 8 | 7.3 | CCCCc1nn(-c2cc(NC(=O)CCC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1021/jm00052a006 | |||
| 10010195 | 119248 | None | 0 | Rabbit | Binding | pIC50 | = | 10.0 | 10.0 | - | 0 | ChEMBL | 733 | 13 | 2 | 8 | 7.5 | CCCCc1nn(-c2cc(NC(=O)CC(C)C)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1021/jm00052a006 | |||
| CHEMBL343142 | 119248 | None | 0 | Rabbit | Binding | pIC50 | = | 10.0 | 10.0 | - | 0 | ChEMBL | 733 | 13 | 2 | 8 | 7.5 | CCCCc1nn(-c2cc(NC(=O)CC(C)C)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1021/jm00052a006 | |||
| 10395394 | 31888 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 767 | 13 | 2 | 8 | 7.7 | CCCCc1nn(-c2cc(NC(=O)Cc3ccccc3)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1007/s00044-013-0831-x | |||
| CHEMBL140708 | 31888 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 767 | 13 | 2 | 8 | 7.7 | CCCCc1nn(-c2cc(NC(=O)Cc3ccccc3)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1007/s00044-013-0831-x | |||
| 10032851 | 16842 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 729 | 11 | 2 | 9 | 6.6 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2Br)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F | 10.1007/s00044-011-9815-x | |||
| CHEMBL124771 | 16842 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 729 | 11 | 2 | 9 | 6.6 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2Br)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F | 10.1007/s00044-011-9815-x | |||
| 9809637 | 206310 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 643 | 15 | 2 | 7 | 7.4 | CCCCC(=O)Nc1cnc2c(c1)nc(CCCC)n2Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)CCC2CCCC2)cc1 | 10.1016/S0960-894X(01)81115-X | |||
| CHEMBL68618 | 206310 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 643 | 15 | 2 | 7 | 7.4 | CCCCC(=O)Nc1cnc2c(c1)nc(CCCC)n2Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)CCC2CCCC2)cc1 | 10.1016/S0960-894X(01)81115-X | |||
| 10032851 | 16842 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 729 | 11 | 2 | 9 | 6.6 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2Br)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F | 10.1021/jm00019a004 | |||
| CHEMBL124771 | 16842 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 729 | 11 | 2 | 9 | 6.6 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2Br)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F | 10.1021/jm00019a004 | |||
| 10395394 | 31888 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 767 | 13 | 2 | 8 | 7.7 | CCCCc1nn(-c2cc(NC(=O)Cc3ccccc3)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1021/jm00052a006 | |||
| CHEMBL140708 | 31888 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 767 | 13 | 2 | 8 | 7.7 | CCCCc1nn(-c2cc(NC(=O)Cc3ccccc3)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1021/jm00052a006 | |||
| 44210588 | 120409 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 633 | 12 | 3 | 8 | 5.8 | CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc3ccc(NC(=O)NC(C)C)cc3c2=O)cc1 | 10.1016/S0960-894X(01)81126-4 | |||
| CHEMBL353037 | 120409 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 633 | 12 | 3 | 8 | 5.8 | CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc3ccc(NC(=O)NC(C)C)cc3c2=O)cc1 | 10.1016/S0960-894X(01)81126-4 | |||
| 10032851 | 16842 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 729 | 11 | 2 | 9 | 6.6 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2Br)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F | 10.1007/s00044-011-9815-x | |||
| CHEMBL124771 | 16842 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 729 | 11 | 2 | 9 | 6.6 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2Br)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F | 10.1007/s00044-011-9815-x | |||
| 10327309 | 113955 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 691 | 12 | 2 | 9 | 6.0 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCC)cc1F | 10.1007/s00044-011-9815-x | |||
| CHEMBL332576 | 113955 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 691 | 12 | 2 | 9 | 6.0 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCC)cc1F | 10.1007/s00044-011-9815-x | |||
| 10395335 | 117146 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 757 | 12 | 2 | 8 | 7.4 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1F | 10.1007/s00044-011-9815-x | |||
| CHEMBL339256 | 117146 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 757 | 12 | 2 | 8 | 7.4 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1F | 10.1007/s00044-011-9815-x | |||
| 10372451 | 117358 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 685 | 11 | 2 | 9 | 6.4 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F | 10.1007/s00044-011-9815-x | |||
| CHEMBL339605 | 117358 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 685 | 11 | 2 | 9 | 6.4 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F | 10.1007/s00044-011-9815-x | |||
| 10327309 | 113955 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 691 | 12 | 2 | 9 | 6.0 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCC)cc1F | 10.1021/jm00019a004 | |||
| CHEMBL332576 | 113955 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 691 | 12 | 2 | 9 | 6.0 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCC)cc1F | 10.1021/jm00019a004 | |||
| 10395335 | 117146 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 757 | 12 | 2 | 8 | 7.4 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1F | 10.1021/jm00019a004 | |||
| CHEMBL339256 | 117146 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 757 | 12 | 2 | 8 | 7.4 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1F | 10.1021/jm00019a004 | |||
| 10372451 | 117358 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 685 | 11 | 2 | 9 | 6.4 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F | 10.1021/jm00019a004 | |||
| CHEMBL339605 | 117358 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 685 | 11 | 2 | 9 | 6.4 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F | 10.1021/jm00019a004 | |||
| 10372093 | 112825 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 652 | 10 | 1 | 7 | 6.4 | CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2F)cc1 | 10.1021/jm00043a020 | |||
| CHEMBL330533 | 112825 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 652 | 10 | 1 | 7 | 6.4 | CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2F)cc1 | 10.1021/jm00043a020 | |||
| 44314822 | 103004 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 691 | 13 | 2 | 8 | 6.7 | CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC2CC2)cc1F | 10.1016/0960-894X(94)85036-4 | |||
| CHEMBL306362 | 103004 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 691 | 13 | 2 | 8 | 6.7 | CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC2CC2)cc1F | 10.1016/0960-894X(94)85036-4 | |||
| 10259411 | 30666 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 734 | 13 | 3 | 8 | 7.0 | CCCCc1nn(-c2cc(NC(=O)NCCC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1007/s00044-013-0831-x | |||
| CHEMBL139452 | 30666 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 734 | 13 | 3 | 8 | 7.0 | CCCCc1nn(-c2cc(NC(=O)NCCC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1007/s00044-013-0831-x | |||
| 10485116 | 116917 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 733 | 14 | 2 | 8 | 7.0 | CCCCNC(=O)c1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3)c2=O)c1 | 10.1007/s00044-013-0831-x | |||
| CHEMBL338101 | 116917 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 733 | 14 | 2 | 8 | 7.0 | CCCCNC(=O)c1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3)c2=O)c1 | 10.1007/s00044-013-0831-x | |||
| 10462598 | 114200 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 723 | 12 | 2 | 8 | 6.7 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1F | 10.1007/s00044-011-9815-x | |||
| CHEMBL332909 | 114200 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 723 | 12 | 2 | 8 | 6.7 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1F | 10.1007/s00044-011-9815-x | |||
| 10485116 | 116917 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 733 | 14 | 2 | 8 | 7.0 | CCCCNC(=O)c1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3)c2=O)c1 | 10.1007/s00044-011-9815-x | |||
| CHEMBL338101 | 116917 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 733 | 14 | 2 | 8 | 7.0 | CCCCNC(=O)c1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3)c2=O)c1 | 10.1007/s00044-011-9815-x | |||
| 10395076 | 168679 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 715 | 13 | 2 | 10 | 6.1 | CCCCc1nn(-c2cc(NC(=O)CCOC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F | 10.1007/s00044-011-9815-x | |||
| CHEMBL435811 | 168679 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 715 | 13 | 2 | 10 | 6.1 | CCCCc1nn(-c2cc(NC(=O)CCOC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F | 10.1007/s00044-011-9815-x | |||
| 10462598 | 114200 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 723 | 12 | 2 | 8 | 6.7 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1F | 10.1021/jm00019a004 | |||
| CHEMBL332909 | 114200 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 723 | 12 | 2 | 8 | 6.7 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1F | 10.1021/jm00019a004 | |||
| 10485116 | 116917 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 733 | 14 | 2 | 8 | 7.0 | CCCCNC(=O)c1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3)c2=O)c1 | 10.1021/jm00019a004 | |||
| CHEMBL338101 | 116917 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 733 | 14 | 2 | 8 | 7.0 | CCCCNC(=O)c1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3)c2=O)c1 | 10.1021/jm00019a004 | |||
| 10395076 | 168679 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 715 | 13 | 2 | 10 | 6.1 | CCCCc1nn(-c2cc(NC(=O)CCOC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F | 10.1021/jm00019a004 | |||
| CHEMBL435811 | 168679 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 715 | 13 | 2 | 10 | 6.1 | CCCCc1nn(-c2cc(NC(=O)CCOC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F | 10.1021/jm00019a004 | |||
| 10395076 | 168679 | None | 0 | Human | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 715 | 13 | 2 | 10 | 6.1 | CCCCc1nn(-c2cc(NC(=O)CCOC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F | 10.1021/jm00019a004 | |||
| CHEMBL435811 | 168679 | None | 0 | Human | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 715 | 13 | 2 | 10 | 6.1 | CCCCc1nn(-c2cc(NC(=O)CCOC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F | 10.1021/jm00019a004 | |||
| 10259411 | 30666 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 734 | 13 | 3 | 8 | 7.0 | CCCCc1nn(-c2cc(NC(=O)NCCC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1021/jm00052a006 | |||
| CHEMBL139452 | 30666 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 734 | 13 | 3 | 8 | 7.0 | CCCCc1nn(-c2cc(NC(=O)NCCC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1021/jm00052a006 | |||
| 10485116 | 116917 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 733 | 14 | 2 | 8 | 7.0 | CCCCNC(=O)c1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3)c2=O)c1 | 10.1021/jm00052a006 | |||
| CHEMBL338101 | 116917 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 733 | 14 | 2 | 8 | 7.0 | CCCCNC(=O)c1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3)c2=O)c1 | 10.1021/jm00052a006 | |||
| 10462598 | 114200 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 723 | 12 | 2 | 8 | 6.7 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1F | 10.1007/s00044-011-9815-x | |||
| CHEMBL332909 | 114200 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 723 | 12 | 2 | 8 | 6.7 | CCCCc1nn(-c2cc(NC(=O)CC)ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1F | 10.1007/s00044-011-9815-x | |||
| 10485116 | 116917 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 733 | 14 | 2 | 8 | 7.0 | CCCCNC(=O)c1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3)c2=O)c1 | 10.1007/s00044-011-9815-x | |||
| CHEMBL338101 | 116917 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 733 | 14 | 2 | 8 | 7.0 | CCCCNC(=O)c1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3)c2=O)c1 | 10.1007/s00044-011-9815-x | |||
| 10395076 | 168679 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 715 | 13 | 2 | 10 | 6.1 | CCCCc1nn(-c2cc(NC(=O)CCOC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F | 10.1007/s00044-011-9815-x | |||
| CHEMBL435811 | 168679 | None | 0 | Rabbit | Binding | pIC50 | = | 9.9 | 9.9 | - | 0 | ChEMBL | 715 | 13 | 2 | 10 | 6.1 | CCCCc1nn(-c2cc(NC(=O)CCOC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OC(C)(C)C)cc1F | 10.1007/s00044-011-9815-x | |||
| 19939453 | 112454 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 686 | 10 | 1 | 7 | 7.0 | CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1F | 10.1016/S0960-894X(01)80595-3 | |||
| CHEMBL329679 | 112454 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 686 | 10 | 1 | 7 | 7.0 | CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1F | 10.1016/S0960-894X(01)80595-3 | |||
| 10326797 | 210033 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 640 | 10 | 1 | 7 | 6.5 | CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C2CCCCC2)cc1 | 10.1021/jm00043a020 | |||
| CHEMBL94905 | 210033 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 640 | 10 | 1 | 7 | 6.5 | CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C2CCCCC2)cc1 | 10.1021/jm00043a020 | |||
| 44381724 | 120372 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 651 | 11 | 3 | 7 | 6.1 | CCCCc1nc2ccc(NC(=O)NC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1 | 10.1016/S0960-894X(01)81126-4 | |||
| CHEMBL352771 | 120372 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 651 | 11 | 3 | 7 | 6.1 | CCCCc1nc2ccc(NC(=O)NC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1 | 10.1016/S0960-894X(01)81126-4 | |||
| 44381671 | 120491 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 647 | 13 | 3 | 8 | 6.2 | CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc3ccc(NC(=O)NC(C)C)cc3c2=O)cc1 | 10.1016/S0960-894X(01)81126-4 | |||
| CHEMBL353800 | 120491 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 647 | 13 | 3 | 8 | 6.2 | CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc3ccc(NC(=O)NC(C)C)cc3c2=O)cc1 | 10.1016/S0960-894X(01)81126-4 | |||
| 10259395 | 27003 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 733 | 11 | 2 | 8 | 7.5 | CCCCc1nn(-c2cc(NC(=O)C(C)(C)C)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1007/s00044-013-0831-x | |||
| CHEMBL136465 | 27003 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 733 | 11 | 2 | 8 | 7.5 | CCCCc1nn(-c2cc(NC(=O)C(C)(C)C)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1007/s00044-013-0831-x | |||
| 10078663 | 210246 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 733 | 14 | 2 | 8 | 7.6 | CCCCC(=O)Nc1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3)c2=O)c1 | 10.1007/s00044-013-0831-x | |||
| CHEMBL96075 | 210246 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 733 | 14 | 2 | 8 | 7.6 | CCCCC(=O)Nc1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3)c2=O)c1 | 10.1007/s00044-013-0831-x | |||
| 9853391 | 116903 | None | 1 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 729 | 11 | 2 | 9 | 6.6 | CCCCC(=O)Nc1ccc(Br)c(-n2nc(CC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)OC(C)(C)C)cc3F)c2=O)c1 | 10.1007/s00044-011-9815-x | |||
| CHEMBL338027 | 116903 | None | 1 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 729 | 11 | 2 | 9 | 6.6 | CCCCC(=O)Nc1ccc(Br)c(-n2nc(CC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)OC(C)(C)C)cc3F)c2=O)c1 | 10.1007/s00044-011-9815-x | |||
| 10101608 | 117093 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 751 | 14 | 2 | 8 | 7.2 | CCCCNC(=O)c1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3F)c2=O)c1 | 10.1007/s00044-011-9815-x | |||
| CHEMBL339004 | 117093 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 751 | 14 | 2 | 8 | 7.2 | CCCCNC(=O)c1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3F)c2=O)c1 | 10.1007/s00044-011-9815-x | |||
| 10078663 | 210246 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 733 | 14 | 2 | 8 | 7.6 | CCCCC(=O)Nc1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3)c2=O)c1 | 10.1016/S0960-894X(01)80595-3 | |||
| CHEMBL96075 | 210246 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 733 | 14 | 2 | 8 | 7.6 | CCCCC(=O)Nc1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3)c2=O)c1 | 10.1016/S0960-894X(01)80595-3 | |||
| 9853391 | 116903 | None | 1 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 729 | 11 | 2 | 9 | 6.6 | CCCCC(=O)Nc1ccc(Br)c(-n2nc(CC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)OC(C)(C)C)cc3F)c2=O)c1 | 10.1021/jm00019a004 | |||
| CHEMBL338027 | 116903 | None | 1 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 729 | 11 | 2 | 9 | 6.6 | CCCCC(=O)Nc1ccc(Br)c(-n2nc(CC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)OC(C)(C)C)cc3F)c2=O)c1 | 10.1021/jm00019a004 | |||
| 10101608 | 117093 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 751 | 14 | 2 | 8 | 7.2 | CCCCNC(=O)c1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3F)c2=O)c1 | 10.1021/jm00019a004 | |||
| CHEMBL339004 | 117093 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 751 | 14 | 2 | 8 | 7.2 | CCCCNC(=O)c1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3F)c2=O)c1 | 10.1021/jm00019a004 | |||
| 10009273 | 107281 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 636 | 11 | 1 | 8 | 5.1 | CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NS(=O)(=O)C(C)C)cc1 | 10.1021/jm00043a020 | |||
| CHEMBL316706 | 107281 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 636 | 11 | 1 | 8 | 5.1 | CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NS(=O)(=O)C(C)C)cc1 | 10.1021/jm00043a020 | |||
| 10259395 | 27003 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 733 | 11 | 2 | 8 | 7.5 | CCCCc1nn(-c2cc(NC(=O)C(C)(C)C)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1021/jm00052a006 | |||
| CHEMBL136465 | 27003 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 733 | 11 | 2 | 8 | 7.5 | CCCCc1nn(-c2cc(NC(=O)C(C)(C)C)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1 | 10.1021/jm00052a006 | |||
| 10078663 | 210246 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 733 | 14 | 2 | 8 | 7.6 | CCCCC(=O)Nc1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3)c2=O)c1 | 10.1021/jm00052a006 | |||
| CHEMBL96075 | 210246 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 733 | 14 | 2 | 8 | 7.6 | CCCCC(=O)Nc1ccc(Cl)c(-n2nc(CCCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)c4ccccc4Cl)cc3)c2=O)c1 | 10.1021/jm00052a006 | |||
| 44327716 | 107370 | None | 0 | Rat | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 492 | 10 | 2 | 5 | 6.1 | CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)c(Cl)c1Cl | 10.1016/S0960-894X(01)81116-1 | |||
| CHEMBL317343 | 107370 | None | 0 | Rat | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 492 | 10 | 2 | 5 | 6.1 | CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)c(Cl)c1Cl | 10.1016/S0960-894X(01)81116-1 | |||
| 9853391 | 116903 | None | 1 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 729 | 11 | 2 | 9 | 6.6 | CCCCC(=O)Nc1ccc(Br)c(-n2nc(CC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)OC(C)(C)C)cc3F)c2=O)c1 | 10.1007/s00044-011-9815-x | |||
| CHEMBL338027 | 116903 | None | 1 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | ChEMBL | 729 | 11 | 2 | 9 | 6.6 | CCCCC(=O)Nc1ccc(Br)c(-n2nc(CC)n(Cc3ccc(-c4ccccc4S(=O)(=O)NC(=O)OC(C)(C)C)cc3F)c2=O)c1 | 10.1007/s00044-011-9815-x | |||
| 10101608 | 117093 | None | 0 | Rabbit | Binding | pIC50 | = | 9.8 | 9.8 | - | 0 | |||||||||||