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 |
Vendors |
Reference ligand |
Fold selectivity |
Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| 25208097 | 183920 | 3 | None | -1 | 4 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 408 | 3 | 1 | 4 | 5.6 | CC1(N2CCC(n3c([C@H]4CCCNC4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/acs.jmedchem.8b00435 | ||
| CHEMBL481366 | 183920 | 3 | None | -1 | 4 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 408 | 3 | 1 | 4 | 5.6 | CC1(N2CCC(n3c([C@H]4CCCNC4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/acs.jmedchem.8b00435 | ||
| 3917 | 3928 | 0 | None | 3 | 4 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| 44430609 | 3928 | 0 | None | 3 | 4 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL409969 | 3928 | 0 | None | 3 | 4 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL1631926 | 208816 | 0 | None | - | 1 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC2=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm101139f | ||||
| CHEMBL1631926 | 208816 | 0 | None | - | 1 | Mouse | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC2=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm101139f | ||||
| CHEMBL264846 | 210630 | 0 | None | 12 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm040106v | ||||
| 44388462 | 161851 | 0 | None | 6 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 1970 | 68 | 33 | 31 | -15.2 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | ||
| CHEMBL414782 | 161851 | 0 | None | 6 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 1970 | 68 | 33 | 31 | -15.2 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | ||
| 16131448 | 2847 | 28 | None | 2 | 5 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(02)00652-2 | ||||
| 1681 | 2847 | 28 | None | 2 | 5 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(02)00652-2 | ||||
| 1688 | 2847 | 28 | None | 2 | 5 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(02)00652-2 | ||||
| 44361543 | 2847 | 28 | None | 2 | 5 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(02)00652-2 | ||||
| 56947112 | 2847 | 28 | None | 2 | 5 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(02)00652-2 | ||||
| CHEMBL396460 | 2847 | 28 | None | 2 | 5 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(02)00652-2 | ||||
| 16131448 | 2847 | 28 | None | 2 | 5 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2004.08.001 | ||||
| 1681 | 2847 | 28 | None | 2 | 5 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2004.08.001 | ||||
| 1688 | 2847 | 28 | None | 2 | 5 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2004.08.001 | ||||
| 44361543 | 2847 | 28 | None | 2 | 5 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2004.08.001 | ||||
| 56947112 | 2847 | 28 | None | 2 | 5 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2004.08.001 | ||||
| CHEMBL396460 | 2847 | 28 | None | 2 | 5 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2004.08.001 | ||||
| 44388461 | 159838 | 0 | None | 6 | 3 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 1952 | 68 | 33 | 31 | -15.4 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | ||
| CHEMBL410653 | 159838 | 0 | None | 6 | 3 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 1952 | 68 | 33 | 31 | -15.4 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | ||
| 24822630 | 97861 | 0 | None | 8 | 4 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 514 | 4 | 3 | 5 | 4.1 | O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmc.2009.07.069 | ||
| CHEMBL272215 | 97861 | 0 | None | 8 | 4 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 514 | 4 | 3 | 5 | 4.1 | O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmc.2009.07.069 | ||
| CHEMBL593215 | 97861 | 0 | None | 8 | 4 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 514 | 4 | 3 | 5 | 4.1 | O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmc.2009.07.069 | ||
| 16131448 | 2847 | 28 | None | 2 | 5 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm040106v | ||||
| 1681 | 2847 | 28 | None | 2 | 5 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm040106v | ||||
| 1688 | 2847 | 28 | None | 2 | 5 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm040106v | ||||
| 44361543 | 2847 | 28 | None | 2 | 5 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm040106v | ||||
| 56947112 | 2847 | 28 | None | 2 | 5 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm040106v | ||||
| CHEMBL396460 | 2847 | 28 | None | 2 | 5 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm040106v | ||||
| CHEMBL409204 | 212749 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010221v | ||||
| CHEMBL261997 | 210522 | 8 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010221v | ||||
| CHEMBL2372052 | 210172 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](CN)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| 16131448 | 2847 | 28 | None | 2 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1039/C4MD00082J | ||||
| 1681 | 2847 | 28 | None | 2 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1039/C4MD00082J | ||||
| 1688 | 2847 | 28 | None | 2 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1039/C4MD00082J | ||||
| 44361543 | 2847 | 28 | None | 2 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1039/C4MD00082J | ||||
| 56947112 | 2847 | 28 | None | 2 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1039/C4MD00082J | ||||
| CHEMBL396460 | 2847 | 28 | None | 2 | 5 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1039/C4MD00082J | ||||
| CHEMBL265801 | 210661 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(N)=O | 10.1021/jm010221v | ||||
| 16131448 | 2847 | 28 | None | 2 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01976 | ||||
| 1681 | 2847 | 28 | None | 2 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01976 | ||||
| 1688 | 2847 | 28 | None | 2 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01976 | ||||
| 44361543 | 2847 | 28 | None | 2 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01976 | ||||
| 56947112 | 2847 | 28 | None | 2 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01976 | ||||
| CHEMBL396460 | 2847 | 28 | None | 2 | 5 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.5b01976 | ||||
| 44388466 | 96499 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1938 | 69 | 33 | 31 | -14.9 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | ||
| CHEMBL262544 | 96499 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1938 | 69 | 33 | 31 | -14.9 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | ||
| CHEMBL412537 | 213000 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010221v | ||||
| CHEMBL405648 | 212570 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010221v | ||||
| CHEMBL1627325 | 208809 | 0 | None | -8 | 8 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(C)(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O | 10.1021/jm900604g | ||||
| CHEMBL427791 | 213380 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(C#N)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010221v | ||||
| 44388467 | 169403 | 0 | None | 4 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1956 | 69 | 33 | 31 | -14.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | ||
| CHEMBL442297 | 169403 | 0 | None | 4 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1956 | 69 | 33 | 31 | -14.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | ||
| 1682 | 2850 | 18 | None | 7 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010221v | ||||
| 6324645 | 2850 | 18 | None | 7 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010221v | ||||
| CHEMBL384755 | 2850 | 18 | None | 7 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010221v | ||||
| CHEMBL1631909 | 208810 | 0 | None | - | 1 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm101139f | ||||
| CHEMBL1631909 | 208810 | 0 | None | - | 1 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm101139f | ||||
| 16131448 | 2847 | 28 | None | 2 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900604g | ||||
| 1681 | 2847 | 28 | None | 2 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900604g | ||||
| 1688 | 2847 | 28 | None | 2 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900604g | ||||
| 44361543 | 2847 | 28 | None | 2 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900604g | ||||
| 56947112 | 2847 | 28 | None | 2 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900604g | ||||
| CHEMBL396460 | 2847 | 28 | None | 2 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/jm900604g | ||||
| 12419 | 2472 | 29 | None | 87 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 408 | 3 | 1 | 4 | 5.6 | CC1(CCCCCCC1)N2CCC(CC2)N3C(=NC4=C3C=CC=C4)[C@H]5CNCCC5 | 10.1021/jm7012979 | ||
| 24800108 | 2472 | 29 | None | 87 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 408 | 3 | 1 | 4 | 5.6 | CC1(CCCCCCC1)N2CCC(CC2)N3C(=NC4=C3C=CC=C4)[C@H]5CNCCC5 | 10.1021/jm7012979 | ||
| CHEMBL481512 | 2472 | 29 | None | 87 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 408 | 3 | 1 | 4 | 5.6 | CC1(CCCCCCC1)N2CCC(CC2)N3C(=NC4=C3C=CC=C4)[C@H]5CNCCC5 | 10.1021/jm7012979 | ||
| 16131448 | 2847 | 28 | None | 2 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02062 | ||||
| 1681 | 2847 | 28 | None | 2 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02062 | ||||
| 1688 | 2847 | 28 | None | 2 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02062 | ||||
| 44361543 | 2847 | 28 | None | 2 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02062 | ||||
| 56947112 | 2847 | 28 | None | 2 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02062 | ||||
| CHEMBL396460 | 2847 | 28 | None | 2 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02062 | ||||
| 44388462 | 161851 | 0 | None | -6 | 3 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1970 | 68 | 33 | 31 | -15.2 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | ||
| CHEMBL414782 | 161851 | 0 | None | -6 | 3 | Mouse | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1970 | 68 | 33 | 31 | -15.2 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | ||
| CHEMBL263588 | 210577 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm040106v | ||||
| 25208097 | 183920 | 3 | None | -1 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 408 | 3 | 1 | 4 | 5.6 | CC1(N2CCC(n3c([C@H]4CCCNC4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | ||
| CHEMBL481366 | 183920 | 3 | None | -1 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 408 | 3 | 1 | 4 | 5.6 | CC1(N2CCC(n3c([C@H]4CCCNC4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | ||
| 1682 | 2850 | 18 | None | 7 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02062 | ||||
| 6324645 | 2850 | 18 | None | 7 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02062 | ||||
| CHEMBL384755 | 2850 | 18 | None | 7 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.0c02062 | ||||
| 3917 | 3928 | 0 | None | -3 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| 44430609 | 3928 | 0 | None | -3 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL409969 | 3928 | 0 | None | -3 | 4 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL429363 | 213524 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| CHEMBL1631923 | 208814 | 0 | None | - | 1 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc3ccccc3)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N2)CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm101139f | ||||
| CHEMBL1631923 | 208814 | 0 | None | - | 1 | Mouse | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc3ccccc3)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N2)CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm101139f | ||||
| 3917 | 3928 | 0 | None | -4 | 4 | Guinea pig | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| 44430609 | 3928 | 0 | None | -4 | 4 | Guinea pig | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL409969 | 3928 | 0 | None | -4 | 4 | Guinea pig | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL1162359 | 208515 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm800394v | ||||
| 44388461 | 159838 | 0 | None | -6 | 3 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1952 | 68 | 33 | 31 | -15.4 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | ||
| CHEMBL410653 | 159838 | 0 | None | -6 | 3 | Mouse | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 1952 | 68 | 33 | 31 | -15.4 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | ||
| CHEMBL414767 | 213152 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm040106v | ||||
| 1682 | 2850 | 18 | None | 7 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800394v | ||||
| 6324645 | 2850 | 18 | None | 7 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800394v | ||||
| CHEMBL384755 | 2850 | 18 | None | 7 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800394v | ||||
| 16131448 | 2847 | 28 | None | 2 | 5 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| 1681 | 2847 | 28 | None | 2 | 5 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| 1688 | 2847 | 28 | None | 2 | 5 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| 44361543 | 2847 | 28 | None | 2 | 5 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| 56947112 | 2847 | 28 | None | 2 | 5 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL396460 | 2847 | 28 | None | 2 | 5 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL507847 | 214555 | 0 | None | - | 1 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| CHEMBL1631926 | 208816 | 0 | None | - | 1 | Mouse | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC2=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm101139f | ||||
| CHEMBL428668 | 213463 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1F)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010221v | ||||
| 44388467 | 169403 | 0 | None | -4 | 2 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1956 | 69 | 33 | 31 | -14.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | ||
| CHEMBL442297 | 169403 | 0 | None | -4 | 2 | Mouse | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1956 | 69 | 33 | 31 | -14.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | ||
| 44388462 | 161851 | 0 | None | -14 | 3 | Guinea pig | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1970 | 68 | 33 | 31 | -15.2 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | ||
| CHEMBL414782 | 161851 | 0 | None | -14 | 3 | Guinea pig | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1970 | 68 | 33 | 31 | -15.2 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | ||
| 16143911 | 467 | 16 | None | - | 1 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| 1689 | 467 | 16 | None | - | 1 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| CHEMBL505874 | 467 | 16 | None | - | 1 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| CHEMBL511107 | 215591 | 0 | None | - | 1 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| 16143911 | 467 | 16 | None | - | 1 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.06.015 | ||||
| 1689 | 467 | 16 | None | - | 1 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.06.015 | ||||
| CHEMBL505874 | 467 | 16 | None | - | 1 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.06.015 | ||||
| 16131448 | 2847 | 28 | None | -2 | 5 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 1681 | 2847 | 28 | None | -2 | 5 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 1688 | 2847 | 28 | None | -2 | 5 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 44361543 | 2847 | 28 | None | -2 | 5 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 56947112 | 2847 | 28 | None | -2 | 5 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| CHEMBL396460 | 2847 | 28 | None | -2 | 5 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 16131448 | 2847 | 28 | None | 2 | 5 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 1681 | 2847 | 28 | None | 2 | 5 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 1688 | 2847 | 28 | None | 2 | 5 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 44361543 | 2847 | 28 | None | 2 | 5 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 56947112 | 2847 | 28 | None | 2 | 5 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| CHEMBL396460 | 2847 | 28 | None | 2 | 5 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 1682 | 2850 | 18 | None | 7 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010092i | ||||
| 6324645 | 2850 | 18 | None | 7 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010092i | ||||
| CHEMBL384755 | 2850 | 18 | None | 7 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm010092i | ||||
| 44388461 | 159838 | 0 | None | -9 | 3 | Guinea pig | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1952 | 68 | 33 | 31 | -15.4 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | ||
| CHEMBL410653 | 159838 | 0 | None | -9 | 3 | Guinea pig | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1952 | 68 | 33 | 31 | -15.4 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | ||
| 16131448 | 2847 | 28 | None | -2 | 5 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 1681 | 2847 | 28 | None | -2 | 5 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 1688 | 2847 | 28 | None | -2 | 5 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 44361543 | 2847 | 28 | None | -2 | 5 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 56947112 | 2847 | 28 | None | -2 | 5 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| CHEMBL396460 | 2847 | 28 | None | -2 | 5 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| CHEMBL506825 | 214211 | 0 | None | - | 1 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| 25207950 | 183794 | 0 | None | 120 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 430 | 4 | 1 | 4 | 6.3 | CC1(N2CCC(n3c(-c4cccc(CN)c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | ||
| CHEMBL480426 | 183794 | 0 | None | 120 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 430 | 4 | 1 | 4 | 6.3 | CC1(N2CCC(n3c(-c4cccc(CN)c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | ||
| 11956520 | 120563 | 0 | None | -6 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 359 | 2 | 2 | 2 | 4.5 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)NCCc1c3ccccc3[nH]c12 | 10.1021/ml500117c | ||
| CHEMBL3326228 | 120563 | 0 | None | -6 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 359 | 2 | 2 | 2 | 4.5 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)NCCc1c3ccccc3[nH]c12 | 10.1021/ml500117c | ||
| CHEMBL3545629 | 120563 | 0 | None | -6 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 359 | 2 | 2 | 2 | 4.5 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)NCCc1c3ccccc3[nH]c12 | 10.1021/ml500117c | ||
| CHEMBL556388 | 215733 | 0 | None | - | 1 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.06.015 | ||||
| CHEMBL559130 | 215741 | 0 | None | - | 1 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.06.015 | ||||
| 25208095 | 191207 | 0 | None | 47 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 422 | 3 | 0 | 4 | 6.0 | CN1CCC[C@@H](c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)C1 | 10.1021/jm7012979 | ||
| CHEMBL518950 | 191207 | 0 | None | 47 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 422 | 3 | 0 | 4 | 6.0 | CN1CCC[C@@H](c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)C1 | 10.1021/jm7012979 | ||
| CHEMBL406097 | 212593 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010221v | ||||
| 16131448 | 2847 | 28 | None | 2 | 5 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2010.07.034 | ||||
| 1681 | 2847 | 28 | None | 2 | 5 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2010.07.034 | ||||
| 1688 | 2847 | 28 | None | 2 | 5 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2010.07.034 | ||||
| 44361543 | 2847 | 28 | None | 2 | 5 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2010.07.034 | ||||
| 56947112 | 2847 | 28 | None | 2 | 5 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2010.07.034 | ||||
| CHEMBL396460 | 2847 | 28 | None | 2 | 5 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2010.07.034 | ||||
| 16131448 | 2847 | 28 | None | 2 | 5 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm7012979 | ||||
| 1681 | 2847 | 28 | None | 2 | 5 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm7012979 | ||||
| 1688 | 2847 | 28 | None | 2 | 5 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm7012979 | ||||
| 44361543 | 2847 | 28 | None | 2 | 5 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm7012979 | ||||
| 56947112 | 2847 | 28 | None | 2 | 5 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm7012979 | ||||
| CHEMBL396460 | 2847 | 28 | None | 2 | 5 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | None | 10.1021/jm7012979 | ||||
| CHEMBL1162358 | 208514 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm800394v | ||||
| 25208101 | 183921 | 0 | None | 181 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 479 | 4 | 0 | 5 | 6.2 | CC1(N2CCC(n3c(-c4cccc(S(C)(=O)=O)c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | ||
| CHEMBL481367 | 183921 | 0 | None | 181 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 479 | 4 | 0 | 5 | 6.2 | CC1(N2CCC(n3c(-c4cccc(S(C)(=O)=O)c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | ||
| 25208245 | 183942 | 0 | None | 478 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 453 | 3 | 0 | 3 | 7.6 | CC1(N2CCC(n3c(-c4ccc(F)c(Cl)c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | ||
| CHEMBL481547 | 183942 | 0 | None | 478 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 453 | 3 | 0 | 3 | 7.6 | CC1(N2CCC(n3c(-c4ccc(F)c(Cl)c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | ||
| 25208099 | 188368 | 0 | None | 8 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 422 | 3 | 0 | 4 | 6.0 | CN1CCC[C@H](c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)C1 | 10.1021/jm7012979 | ||
| CHEMBL501331 | 188368 | 0 | None | 8 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 422 | 3 | 0 | 4 | 6.0 | CN1CCC[C@H](c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)C1 | 10.1021/jm7012979 | ||
| 11464846 | 77592 | 26 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 440 | 4 | 1 | 5 | 3.6 | CNC(=O)Cn1c(=O)n(C2CCN([C@@H]3Cc4cccc5cccc3c45)CC2)c2ccccc21 | 10.1021/jm201629q | ||
| CHEMBL2088035 | 77592 | 26 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 440 | 4 | 1 | 5 | 3.6 | CNC(=O)Cn1c(=O)n(C2CCN([C@@H]3Cc4cccc5cccc3c45)CC2)c2ccccc21 | 10.1021/jm201629q | ||
| CHEMBL5073561 | 214297 | 0 | None | 107 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| CHEMBL264846 | 210630 | 0 | None | -12 | 3 | Guinea pig | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm040106v | ||||
| CHEMBL437915 | 213737 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O | 10.1021/jm010092i | ||||
| CHEMBL5070802 | 214242 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| CHEMBL5080536 | 214689 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| CHEMBL5093093 | 215404 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| CHEMBL504872 | 214183 | 0 | None | - | 1 | Rat | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| CHEMBL262224 | 210532 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | Cc1ccc(C[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)cc1 | 10.1021/jm010221v | ||||
| 9927928 | 90467 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 340 | 2 | 0 | 2 | 4.5 | O=C1CCc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 | 10.1016/j.bmcl.2013.03.101 | ||
| CHEMBL2387199 | 90467 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 340 | 2 | 0 | 2 | 4.5 | O=C1CCc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 | 10.1016/j.bmcl.2013.03.101 | ||
| CHEMBL507653 | 214442 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm800394v | ||||
| 44574791 | 178575 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 464 | 5 | 1 | 3 | 7.1 | O/N=C/C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | ||
| CHEMBL467119 | 178575 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 464 | 5 | 1 | 3 | 7.1 | O/N=C/C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | ||
| 71624265 | 90456 | 0 | None | 5 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 340 | 4 | 0 | 2 | 4.4 | CCC[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2013.03.101 | ||
| CHEMBL2387188 | 90456 | 0 | None | 5 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 340 | 4 | 0 | 2 | 4.4 | CCC[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2013.03.101 | ||
| CHEMBL442305 | 213908 | 0 | None | - | 1 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN)C(N)=O | 10.1016/j.bmcl.2006.04.086 | ||||
| CHEMBL504540 | 214178 | 0 | None | - | 1 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| CHEMBL526352 | 215680 | 0 | None | - | 1 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| 16131448 | 2847 | 28 | None | -14 | 5 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101139f | ||||
| 1681 | 2847 | 28 | None | -14 | 5 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101139f | ||||
| 1688 | 2847 | 28 | None | -14 | 5 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101139f | ||||
| 44361543 | 2847 | 28 | None | -14 | 5 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101139f | ||||
| 56947112 | 2847 | 28 | None | -14 | 5 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101139f | ||||
| CHEMBL396460 | 2847 | 28 | None | -14 | 5 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101139f | ||||
| 1682 | 2850 | 18 | None | -7 | 3 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101139f | ||||
| 6324645 | 2850 | 18 | None | -7 | 3 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101139f | ||||
| CHEMBL384755 | 2850 | 18 | None | -7 | 3 | Mouse | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101139f | ||||
| 76324308 | 103315 | 0 | None | 48 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 496 | 6 | 1 | 2 | 6.6 | NC(=O)[C@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | ||
| CHEMBL3084526 | 103315 | 0 | None | 48 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 496 | 6 | 1 | 2 | 6.6 | NC(=O)[C@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | ||
| 16131448 | 2847 | 28 | None | -14 | 5 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101139f | ||||
| 1681 | 2847 | 28 | None | -14 | 5 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101139f | ||||
| 1688 | 2847 | 28 | None | -14 | 5 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101139f | ||||
| 44361543 | 2847 | 28 | None | -14 | 5 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101139f | ||||
| 56947112 | 2847 | 28 | None | -14 | 5 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101139f | ||||
| CHEMBL396460 | 2847 | 28 | None | -14 | 5 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101139f | ||||
| 1682 | 2850 | 18 | None | -7 | 3 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101139f | ||||
| 6324645 | 2850 | 18 | None | -7 | 3 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101139f | ||||
| CHEMBL384755 | 2850 | 18 | None | -7 | 3 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm101139f | ||||
| 10406239 | 120558 | 0 | None | -10 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 360 | 2 | 1 | 2 | 5.0 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3ccccc3[nH]c12 | 10.1021/ml500116x | ||
| CHEMBL3326224 | 120558 | 0 | None | -10 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 360 | 2 | 1 | 2 | 5.0 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3ccccc3[nH]c12 | 10.1021/ml500116x | ||
| CHEMBL3326226 | 120558 | 0 | None | -10 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 360 | 2 | 1 | 2 | 5.0 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3ccccc3[nH]c12 | 10.1021/ml500116x | ||
| CHEMBL3545624 | 120558 | 0 | None | -10 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 360 | 2 | 1 | 2 | 5.0 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3ccccc3[nH]c12 | 10.1021/ml500116x | ||
| 56658044 | 65704 | 0 | None | -20 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 519 | 6 | 2 | 5 | 5.2 | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CC4CCC1C4)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | ||
| CHEMBL1834413 | 65704 | 0 | None | -20 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 519 | 6 | 2 | 5 | 5.2 | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CC4CCC1C4)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | ||
| CHEMBL5079432 | 214615 | 0 | None | -38 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)c1ccccc1 | 10.1021/acs.jmedchem.0c02062 | ||||
| CHEMBL442305 | 213908 | 0 | None | - | 1 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN)C(N)=O | 10.1016/j.bmcl.2006.04.086 | ||||
| 9820782 | 143251 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 371 | 4 | 1 | 2 | 5.4 | Cc1ccccc1C(c1ccccc1C)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | ||
| CHEMBL389665 | 143251 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 371 | 4 | 1 | 2 | 5.4 | Cc1ccccc1C(c1ccccc1C)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | ||
| 9848990 | 189163 | 1 | None | -954 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 467 | 4 | 2 | 5 | 4.4 | CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | ||
| CHEMBL2368861 | 189163 | 1 | None | -954 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 467 | 4 | 2 | 5 | 4.4 | CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | ||
| CHEMBL511142 | 189163 | 1 | None | -954 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 467 | 4 | 2 | 5 | 4.4 | CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | ||
| nan | 189163 | 1 | None | -954 | 7 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 467 | 4 | 2 | 5 | 4.4 | CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | ||
| 134563650 | 169843 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 354 | 4 | 1 | 3 | 5.0 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CO)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| CHEMBL4439997 | 169843 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 354 | 4 | 1 | 3 | 5.0 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CO)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| 44426843 | 85725 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 403 | 6 | 1 | 4 | 4.8 | COc1ccccc1C(c1ccccc1OC)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | ||
| CHEMBL228964 | 85725 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 403 | 6 | 1 | 4 | 4.8 | COc1ccccc1C(c1ccccc1OC)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | ||
| 11164004 | 108549 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 352 | 2 | 0 | 2 | 4.4 | O=C1Cc2ccccc2N1C1CCN(C2CCCC3CCCCC32)CC1 | 10.1021/jm034249d | ||
| CHEMBL320182 | 108549 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 352 | 2 | 0 | 2 | 4.4 | O=C1Cc2ccccc2N1C1CCN(C2CCCC3CCCCC32)CC1 | 10.1021/jm034249d | ||
| 10042904 | 208404 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | CC(C)[C@H]1CC[C@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 | 10.1021/jm034249d | ||
| CHEMBL99738 | 208404 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | CC(C)[C@H]1CC[C@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 | 10.1021/jm034249d | ||
| CHEMBL5078005 | 214525 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| CHEMBL525604 | 215655 | 0 | None | - | 1 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| 10385808 | 66140 | 0 | None | 38 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 391 | 3 | 1 | 3 | 3.5 | CC(C)C1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| CHEMBL184127 | 66140 | 0 | None | 38 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 391 | 3 | 1 | 3 | 3.5 | CC(C)C1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| 8868 | 3545 | 31 | None | 57 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 397 | 4 | 1 | 2 | 5.9 | Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(C2)(O)c1ccccc1 | 10.1016/j.bmcl.2009.03.031 | ||
| 9887077 | 3545 | 31 | None | 57 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 397 | 4 | 1 | 2 | 5.9 | Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(C2)(O)c1ccccc1 | 10.1016/j.bmcl.2009.03.031 | ||
| CHEMBL513136 | 3545 | 31 | None | 57 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 397 | 4 | 1 | 2 | 5.9 | Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(C2)(O)c1ccccc1 | 10.1016/j.bmcl.2009.03.031 | ||
| 49843555 | 57306 | 0 | None | 288 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 451 | 4 | 2 | 6 | 3.8 | OCC1(N2CCC(n3c(N4CC5CNCC5C4)nc4ccccc43)CC2)CCCCCCC1 | 10.1016/j.bmc.2010.07.034 | ||
| CHEMBL1650844 | 57306 | 0 | None | 288 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 451 | 4 | 2 | 6 | 3.8 | OCC1(N2CCC(n3c(N4CC5CNCC5C4)nc4ccccc43)CC2)CCCCCCC1 | 10.1016/j.bmc.2010.07.034 | ||
| CHEMBL438398 | 213768 | 0 | None | - | 1 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CCC(CC)(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL437192 | 213706 | 0 | None | - | 1 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CCCC(CCC)(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| 9842289 | 120481 | 0 | None | - | 1 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 369 | 2 | 1 | 3 | 4.3 | O=C1NCN(c2ccccc2)C12CCN(C1CCCCCCCCC1)CC2 | 10.1016/s0960-894x(00)00111-6 | ||
| CHEMBL354291 | 120481 | 0 | None | - | 1 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 369 | 2 | 1 | 3 | 4.3 | O=C1NCN(c2ccccc2)C12CCN(C1CCCCCCCCC1)CC2 | 10.1016/s0960-894x(00)00111-6 | ||
| CHEMBL389521 | 212425 | 0 | None | -11 | 2 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm101139f | ||||
| 1679 | 268 | 24 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.11.043 | ||||
| 9963005 | 268 | 24 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.11.043 | ||||
| CHEMBL437723 | 268 | 24 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.11.043 | ||||
| 11956680 | 120556 | 0 | None | -100 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 376 | 2 | 2 | 3 | 4.7 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3cc(O)ccc3[nH]c12 | 10.1021/ml500117c | ||
| CHEMBL3325961 | 120556 | 0 | None | -100 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 376 | 2 | 2 | 3 | 4.7 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3cc(O)ccc3[nH]c12 | 10.1021/ml500117c | ||
| CHEMBL3545622 | 120556 | 0 | None | -100 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 376 | 2 | 2 | 3 | 4.7 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3cc(O)ccc3[nH]c12 | 10.1021/ml500117c | ||
| 134563655 | 174216 | 3 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 353 | 4 | 1 | 3 | 5.0 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| CHEMBL4548515 | 174216 | 3 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 353 | 4 | 1 | 3 | 5.0 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| 9803475 | 77593 | 32 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 443 | 5 | 0 | 5 | 3.7 | COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O | 10.1021/jm201629q | ||
| CHEMBL2088036 | 77593 | 32 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 443 | 5 | 0 | 5 | 3.7 | COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O | 10.1021/jm201629q | ||
| CHEMBL5087383 | 215089 | 0 | None | -7 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| 90655976 | 111007 | 0 | None | -3 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 438 | 7 | 0 | 2 | 6.2 | CCC1C(=O)N(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | ||
| CHEMBL3262549 | 111007 | 0 | None | -3 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 438 | 7 | 0 | 2 | 6.2 | CCC1C(=O)N(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | ||
| 118718276 | 115312 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 482 | 6 | 1 | 2 | 7.0 | NC[C@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | ||
| CHEMBL3349260 | 115312 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 482 | 6 | 1 | 2 | 7.0 | NC[C@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | ||
| 22562137 | 90466 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 354 | 3 | 0 | 2 | 4.6 | CC(C)C1CCC(N2CCC(N3C(=O)CCc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2013.03.101 | ||
| CHEMBL2387198 | 90466 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 354 | 3 | 0 | 2 | 4.6 | CC(C)C1CCC(N2CCC(N3C(=O)CCc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2013.03.101 | ||
| 118718277 | 115313 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 524 | 7 | 1 | 2 | 7.2 | CC(=O)NC[C@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | ||
| CHEMBL3349261 | 115313 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 524 | 7 | 1 | 2 | 7.2 | CC(=O)NC[C@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | ||
| 16131448 | 2847 | 28 | None | -2 | 5 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| 1681 | 2847 | 28 | None | -2 | 5 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| 1688 | 2847 | 28 | None | -2 | 5 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| 44361543 | 2847 | 28 | None | -2 | 5 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| 56947112 | 2847 | 28 | None | -2 | 5 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| CHEMBL396460 | 2847 | 28 | None | -2 | 5 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| CHEMBL389521 | 212425 | 0 | None | -11 | 2 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm101139f | ||||
| 25208247 | 183943 | 0 | None | 676 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 440 | 3 | 1 | 3 | 7.3 | CC1(N2CCC(n3c(-c4ccc5cc[nH]c5c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | ||
| CHEMBL481548 | 183943 | 0 | None | 676 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 440 | 3 | 1 | 3 | 7.3 | CC1(N2CCC(n3c(-c4ccc5cc[nH]c5c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | ||
| 11848225 | 876 | 52 | None | -10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/ml500117c | ||
| 8866 | 876 | 52 | None | -10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/ml500117c | ||
| CHEMBL2364605 | 876 | 52 | None | -10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/ml500117c | ||
| CHEMBL3545616 | 876 | 52 | None | -10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/ml500117c | ||
| CHEMBL3962932 | 876 | 52 | None | -10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/ml500117c | ||
| DB12830 | 876 | 52 | None | -10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/ml500117c | ||
| 16131448 | 2847 | 28 | None | -2 | 5 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 1681 | 2847 | 28 | None | -2 | 5 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 1688 | 2847 | 28 | None | -2 | 5 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 44361543 | 2847 | 28 | None | -2 | 5 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 56947112 | 2847 | 28 | None | -2 | 5 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| CHEMBL396460 | 2847 | 28 | None | -2 | 5 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 16131448 | 2847 | 28 | None | 2 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 1681 | 2847 | 28 | None | 2 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 1688 | 2847 | 28 | None | 2 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 44361543 | 2847 | 28 | None | 2 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 56947112 | 2847 | 28 | None | 2 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| CHEMBL396460 | 2847 | 28 | None | 2 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| CHEMBL5086442 | 215027 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)cc1 | 10.1021/acs.jmedchem.0c02062 | ||||
| 44430604 | 168769 | 0 | None | - | 1 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1863 | 64 | 30 | 26 | -10.2 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||
| CHEMBL437382 | 168769 | 0 | None | - | 1 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1863 | 64 | 30 | 26 | -10.2 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||
| 53322001 | 56426 | 0 | None | - | 1 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1601 | 34 | 25 | 22 | -7.9 | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CC(=O)NCCCC[C@@H](CC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)N2 | 10.1021/jm101139f | ||
| CHEMBL1631924 | 56426 | 0 | None | - | 1 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1601 | 34 | 25 | 22 | -7.9 | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CC(=O)NCCCC[C@@H](CC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)N2 | 10.1021/jm101139f | ||
| CHEMBL265392 | 210642 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010221v | ||||
| 46227961 | 14118 | 0 | None | -954 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 460 | 4 | 3 | 5 | 3.1 | Cc1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 | 10.1016/j.bmc.2009.07.069 | ||
| CHEMBL1198015 | 14118 | 0 | None | -954 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 460 | 4 | 3 | 5 | 3.1 | Cc1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 | 10.1016/j.bmc.2009.07.069 | ||
| CHEMBL593214 | 14118 | 0 | None | -954 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 460 | 4 | 3 | 5 | 3.1 | Cc1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 | 10.1016/j.bmc.2009.07.069 | ||
| 44574705 | 178785 | 0 | None | 15 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 451 | 5 | 1 | 2 | 6.6 | OCC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | ||
| CHEMBL468952 | 178785 | 0 | None | 15 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 451 | 5 | 1 | 2 | 6.6 | OCC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | ||
| 71624269 | 90460 | 0 | None | -2 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 320 | 3 | 0 | 2 | 3.8 | CC(c1ccccc1)N1CCC(N2C(=O)Cc3ccccc32)CC1 | 10.1016/j.bmcl.2013.03.101 | ||
| CHEMBL2387192 | 90460 | 0 | None | -2 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 320 | 3 | 0 | 2 | 3.8 | CC(c1ccccc1)N1CCC(N2C(=O)Cc3ccccc32)CC1 | 10.1016/j.bmcl.2013.03.101 | ||
| 129188462 | 176404 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 367 | 5 | 1 | 3 | 5.0 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CCN)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| CHEMBL4465668 | 176404 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 367 | 5 | 1 | 3 | 5.0 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CCN)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| CHEMBL4596017 | 176404 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 367 | 5 | 1 | 3 | 5.0 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CCN)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| 10385808 | 66140 | 0 | None | 38 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 391 | 3 | 1 | 3 | 3.5 | CC(C)C1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| CHEMBL184127 | 66140 | 0 | None | 38 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 391 | 3 | 1 | 3 | 3.5 | CC(C)C1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| 53322001 | 56426 | 0 | None | - | 1 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1601 | 34 | 25 | 22 | -7.9 | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CC(=O)NCCCC[C@@H](CC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)N2 | 10.1021/jm101139f | ||
| CHEMBL1631924 | 56426 | 0 | None | - | 1 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 1601 | 34 | 25 | 22 | -7.9 | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CC(=O)NCCCC[C@@H](CC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)N2 | 10.1021/jm101139f | ||
| 42629117 | 178547 | 0 | None | 67 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 482 | 5 | 1 | 2 | 6.3 | NC(=O)C1(c2ccc(F)cc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | ||
| CHEMBL466921 | 178547 | 0 | None | 67 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 482 | 5 | 1 | 2 | 6.3 | NC(=O)C1(c2ccc(F)cc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | ||
| 122179052 | 121393 | 0 | None | -10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 499 | 5 | 2 | 5 | 4.8 | CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1cccc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | ||
| CHEMBL3581741 | 121393 | 0 | None | -10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 499 | 5 | 2 | 5 | 4.8 | CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1cccc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | ||
| 76331525 | 103345 | 0 | None | 109 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 542 | 6 | 1 | 3 | 7.7 | COC(=O)N[C@@]1(Cc2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | ||
| CHEMBL3084558 | 103345 | 0 | None | 109 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 542 | 6 | 1 | 3 | 7.7 | COC(=O)N[C@@]1(Cc2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | ||
| 44430602 | 144453 | 0 | None | - | 1 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1849 | 63 | 30 | 26 | -10.6 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||
| CHEMBL390658 | 144453 | 0 | None | - | 1 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1849 | 63 | 30 | 26 | -10.6 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||
| CHEMBL556556 | 144453 | 0 | None | - | 1 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 1849 | 63 | 30 | 26 | -10.6 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||
| CHEMBL2372051 | 210171 | 0 | None | - | 1 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC[C@](C)(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL2372364 | 210171 | 0 | None | - | 1 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC[C@](C)(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| 81689704 | 121397 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 487 | 5 | 2 | 5 | 4.7 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | ||
| CHEMBL3581750 | 121397 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 487 | 5 | 2 | 5 | 4.7 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | ||
| 16131448 | 2847 | 28 | None | -2 | 5 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| 1681 | 2847 | 28 | None | -2 | 5 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| 1688 | 2847 | 28 | None | -2 | 5 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| 44361543 | 2847 | 28 | None | -2 | 5 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| 56947112 | 2847 | 28 | None | -2 | 5 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL396460 | 2847 | 28 | None | -2 | 5 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| 9848990 | 189163 | 1 | None | -954 | 7 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 467 | 4 | 2 | 5 | 4.4 | CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | ||
| CHEMBL2368861 | 189163 | 1 | None | -954 | 7 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 467 | 4 | 2 | 5 | 4.4 | CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | ||
| CHEMBL511142 | 189163 | 1 | None | -954 | 7 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 467 | 4 | 2 | 5 | 4.4 | CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | ||
| nan | 189163 | 1 | None | -954 | 7 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 467 | 4 | 2 | 5 | 4.4 | CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | ||
| CHEMBL524873 | 215624 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| 46227966 | 14177 | 0 | None | -50 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 502 | 4 | 3 | 5 | 4.1 | CC(C)(C)c1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 | 10.1016/j.bmc.2009.07.069 | ||
| CHEMBL1198704 | 14177 | 0 | None | -50 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 502 | 4 | 3 | 5 | 4.1 | CC(C)(C)c1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 | 10.1016/j.bmc.2009.07.069 | ||
| CHEMBL611932 | 14177 | 0 | None | -50 | 4 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 502 | 4 | 3 | 5 | 4.1 | CC(C)(C)c1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 | 10.1016/j.bmc.2009.07.069 | ||
| CHEMBL389521 | 212425 | 0 | None | -11 | 2 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| 9954388 | 99537 | 1 | None | -4 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 429 | 2 | 1 | 3 | 4.3 | O=C1NCN(c2ccccc2)C12CCN(C1CCc3c(Cl)ccc(Cl)c3C1)CC2 | 10.1021/jm991129q | ||
| CHEMBL283480 | 99537 | 1 | None | -4 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 429 | 2 | 1 | 3 | 4.3 | O=C1NCN(c2ccccc2)C12CCN(C1CCc3c(Cl)ccc(Cl)c3C1)CC2 | 10.1021/jm991129q | ||
| CHEMBL5081409 | 214745 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| 134563496 | 174551 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 409 | 5 | 1 | 4 | 4.7 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN4CC(O)C4)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| CHEMBL4556227 | 174551 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 409 | 5 | 1 | 4 | 4.7 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN4CC(O)C4)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| 118718266 | 115302 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 479 | 6 | 0 | 3 | 6.6 | CN(C)C[C@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | ||
| CHEMBL3349250 | 115302 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 479 | 6 | 0 | 3 | 6.6 | CN(C)C[C@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | ||
| CHEMBL435511 | 213665 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm010092i | ||||
| 18782396 | 121682 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 363 | 2 | 1 | 4 | 2.9 | O=C1NCN(c2ccccc2)C12CCN(C1CCOc3ccccc31)CC2 | 10.1039/C4MD00082J | ||
| CHEMBL3585388 | 121682 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 363 | 2 | 1 | 4 | 2.9 | O=C1NCN(c2ccccc2)C12CCN(C1CCOc3ccccc31)CC2 | 10.1039/C4MD00082J | ||
| CHEMBL3586752 | 121682 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 363 | 2 | 1 | 4 | 2.9 | O=C1NCN(c2ccccc2)C12CCN(C1CCOc3ccccc31)CC2 | 10.1039/C4MD00082J | ||
| 44394284 | 66185 | 0 | None | 1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 365 | 5 | 1 | 3 | 3.1 | CC(C)CCC(C)N1CCC(N2c3ccccc3CNS2(=O)=O)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| CHEMBL184381 | 66185 | 0 | None | 1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 365 | 5 | 1 | 3 | 3.1 | CC(C)CCC(C)N1CCC(N2c3ccccc3CNS2(=O)=O)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| 44574588 | 178434 | 0 | None | 44 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 443 | 4 | 1 | 2 | 6.9 | Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2CCCC2)C3)c(Cl)c1 | 10.1016/j.bmcl.2009.03.031 | ||
| CHEMBL466067 | 178434 | 0 | None | 44 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 443 | 4 | 1 | 2 | 6.9 | Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2CCCC2)C3)c(Cl)c1 | 10.1016/j.bmcl.2009.03.031 | ||
| 44574585 | 178626 | 0 | None | 56 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 469 | 4 | 1 | 2 | 7.0 | Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(c2cccc(F)c2)C3)c(Cl)c1 | 10.1016/j.bmcl.2009.03.031 | ||
| CHEMBL467488 | 178626 | 0 | None | 56 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 469 | 4 | 1 | 2 | 7.0 | Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(c2cccc(F)c2)C3)c(Cl)c1 | 10.1016/j.bmcl.2009.03.031 | ||
| 11451023 | 107220 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 352 | 2 | 0 | 2 | 4.4 | O=C1Cc2ccccc2N1C1CCN(C2CCC3CCCCC3C2)CC1 | 10.1021/jm034249d | ||
| CHEMBL316699 | 107220 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 352 | 2 | 0 | 2 | 4.4 | O=C1Cc2ccccc2N1C1CCN(C2CCC3CCCCC3C2)CC1 | 10.1021/jm034249d | ||
| CHEMBL268394 | 210748 | 0 | None | - | 1 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1(NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)CCCCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL396972 | 212499 | 0 | None | - | 1 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1(NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)CC1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| 44394324 | 66153 | 0 | None | 9 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 403 | 2 | 1 | 3 | 3.7 | O=S1(=O)NCc2ccccc2N1C1CCN(C2CCC3CCCCC3C2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| CHEMBL184234 | 66153 | 0 | None | 9 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 403 | 2 | 1 | 3 | 3.7 | O=S1(=O)NCc2ccccc2N1C1CCN(C2CCC3CCCCC3C2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| 129188443 | 169535 | 3 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 324 | 3 | 0 | 2 | 5.5 | CC(C)[C@H]1CC[C@@H](N2CCC(n3ccc4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| CHEMBL4435280 | 169535 | 3 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 324 | 3 | 0 | 2 | 5.5 | CC(C)[C@H]1CC[C@@H](N2CCC(n3ccc4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| 122179061 | 121404 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 505 | 5 | 2 | 5 | 4.9 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1cccc(F)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | ||
| CHEMBL3581757 | 121404 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 505 | 5 | 2 | 5 | 4.9 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1cccc(F)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | ||
| 44394283 | 66161 | 0 | None | 1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 391 | 4 | 1 | 3 | 3.7 | CCCC1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| CHEMBL184260 | 66161 | 0 | None | 1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 391 | 4 | 1 | 3 | 3.7 | CCCC1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| 10155966 | 189275 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 369 | 4 | 1 | 2 | 5.3 | OC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.03.031 | ||
| CHEMBL511920 | 189275 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 369 | 4 | 1 | 2 | 5.3 | OC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.03.031 | ||
| 44394375 | 123682 | 0 | None | -2 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 461 | 6 | 1 | 3 | 4.5 | O=S1(=O)NCc2ccccc2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| CHEMBL362160 | 123682 | 0 | None | -2 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 461 | 6 | 1 | 3 | 4.5 | O=S1(=O)NCc2ccccc2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| 10139672 | 125886 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 463 | 5 | 0 | 5 | 3.4 | COC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2004.08.001 | ||
| CHEMBL364844 | 125886 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 463 | 5 | 0 | 5 | 3.4 | COC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2004.08.001 | ||
| 53325608 | 57309 | 0 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 439 | 4 | 1 | 6 | 3.9 | CN1CCN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CC1 | 10.1016/j.bmc.2010.07.034 | ||
| CHEMBL1650847 | 57309 | 0 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 439 | 4 | 1 | 6 | 3.9 | CN1CCN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CC1 | 10.1016/j.bmc.2010.07.034 | ||
| 44456216 | 155398 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 979 | 32 | 15 | 11 | -0.3 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)CC)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | ||
| CHEMBL403588 | 155398 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 979 | 32 | 15 | 11 | -0.3 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)CC)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | ||
| CHEMBL398224 | 212517 | 0 | None | - | 1 | Mouse | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CCC(CC)(NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL5093399 | 215423 | 0 | None | 10 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| 3655995 | 108743 | 6 | None | 11 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 306 | 3 | 0 | 2 | 3.2 | O=C1Cc2ccccc2N1C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2013.03.101 | ||
| CHEMBL320874 | 108743 | 6 | None | 11 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 306 | 3 | 0 | 2 | 3.2 | O=C1Cc2ccccc2N1C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2013.03.101 | ||
| 3655995 | 108743 | 6 | None | 11 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 306 | 3 | 0 | 2 | 3.2 | O=C1Cc2ccccc2N1C1CCN(Cc2ccccc2)CC1 | 10.1021/jm034249d | ||
| CHEMBL320874 | 108743 | 6 | None | 11 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 306 | 3 | 0 | 2 | 3.2 | O=C1Cc2ccccc2N1C1CCN(Cc2ccccc2)CC1 | 10.1021/jm034249d | ||
| 134563699 | 176074 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 440 | 7 | 2 | 3 | 5.3 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CCCNC(N)=S)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| CHEMBL4591048 | 176074 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 440 | 7 | 2 | 3 | 5.3 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CCCNC(N)=S)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| 44456187 | 95639 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 985 | 31 | 15 | 11 | -0.4 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | ||
| CHEMBL257921 | 95639 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 985 | 31 | 15 | 11 | -0.4 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | ||
| 76320665 | 103336 | 0 | None | 102 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 479 | 5 | 1 | 3 | 6.1 | CC(=O)N[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | ||
| CHEMBL3084549 | 103336 | 0 | None | 102 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 479 | 5 | 1 | 3 | 6.1 | CC(=O)N[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | ||
| CHEMBL5070616 | 214239 | 0 | None | 20 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| 44456141 | 95352 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1043 | 31 | 15 | 11 | 0.5 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | ||
| CHEMBL256687 | 95352 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1043 | 31 | 15 | 11 | 0.5 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | ||
| 44430602 | 144453 | 0 | None | - | 1 | Mouse | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1849 | 63 | 30 | 26 | -10.6 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||
| CHEMBL390658 | 144453 | 0 | None | - | 1 | Mouse | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1849 | 63 | 30 | 26 | -10.6 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||
| CHEMBL556556 | 144453 | 0 | None | - | 1 | Mouse | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 1849 | 63 | 30 | 26 | -10.6 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||
| CHEMBL5081993 | 214779 | 0 | None | -2 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| 9905428 | 4407 | 16 | None | 4 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 326 | 2 | 0 | 2 | 4.2 | O=C1Cc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 | 10.1021/jm034249d | ||
| CHEMBL101454 | 4407 | 16 | None | 4 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 326 | 2 | 0 | 2 | 4.2 | O=C1Cc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 | 10.1021/jm034249d | ||
| CHEMBL505824 | 214195 | 0 | None | - | 1 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| CHEMBL264846 | 210630 | 0 | None | -17 | 3 | Mouse | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm040106v | ||||
| 25207948 | 183793 | 0 | None | 18 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 461 | 6 | 1 | 5 | 6.2 | CC1(N2CCC(n3c(-c4cccc(OCCO)c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | ||
| CHEMBL480425 | 183793 | 0 | None | 18 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 461 | 6 | 1 | 5 | 6.2 | CC1(N2CCC(n3c(-c4cccc(OCCO)c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | ||
| CHEMBL5074745 | 214328 | 0 | None | 15 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02062 | ||||
| CHEMBL499157 | 214089 | 0 | None | - | 1 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| CHEMBL5081578 | 214752 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| 44248674 | 103398 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 442 | 4 | 0 | 2 | 6.8 | CN1CCCCC1[C@@H]1C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1021/jm9008218 | ||
| CHEMBL3084677 | 103398 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 442 | 4 | 0 | 2 | 6.8 | CN1CCCCC1[C@@H]1C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1021/jm9008218 | ||
| 45271534 | 195254 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 472 | 6 | 1 | 3 | 6.2 | OCCN1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1021/jm9008218 | ||
| CHEMBL551111 | 195254 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 472 | 6 | 1 | 3 | 6.2 | OCCN1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1021/jm9008218 | ||
| 45268153 | 196132 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 467 | 5 | 0 | 3 | 6.7 | N#CCN1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1021/jm9008218 | ||
| CHEMBL561115 | 196132 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 467 | 5 | 0 | 3 | 6.7 | N#CCN1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1021/jm9008218 | ||
| 45269032 | 196182 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 428 | 4 | 1 | 2 | 6.5 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@H]1CC(C1CCCCN1)C2 | 10.1021/jm9008218 | ||
| CHEMBL561373 | 196182 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 428 | 4 | 1 | 2 | 6.5 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@H]1CC(C1CCCCN1)C2 | 10.1021/jm9008218 | ||
| 44247589 | 103318 | 0 | None | 37 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 483 | 5 | 1 | 3 | 5.7 | NC(=O)[C@@]1(c2ccc(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | ||
| CHEMBL3084529 | 103318 | 0 | None | 37 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 483 | 5 | 1 | 3 | 5.7 | NC(=O)[C@@]1(c2ccc(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | ||
| 46227963 | 14174 | 0 | None | -3 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 514 | 4 | 3 | 5 | 3.8 | O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(C(F)(F)F)cc1 | 10.1016/j.bmc.2009.07.069 | ||
| CHEMBL1198701 | 14174 | 0 | None | -3 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 514 | 4 | 3 | 5 | 3.8 | O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(C(F)(F)F)cc1 | 10.1016/j.bmc.2009.07.069 | ||
| CHEMBL611929 | 14174 | 0 | None | -3 | 4 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 514 | 4 | 3 | 5 | 3.8 | O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(C(F)(F)F)cc1 | 10.1016/j.bmc.2009.07.069 | ||
| 9905428 | 4407 | 16 | None | 4 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 326 | 2 | 0 | 2 | 4.2 | O=C1Cc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 | 10.1016/j.bmcl.2013.03.101 | ||
| CHEMBL101454 | 4407 | 16 | None | 4 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 326 | 2 | 0 | 2 | 4.2 | O=C1Cc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 | 10.1016/j.bmcl.2013.03.101 | ||
| 9925137 | 120560 | 0 | None | 2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 361 | 6 | 2 | 2 | 4.7 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCc2c[nH]c3ccccc23)CC1 | 10.1021/ml500116x | ||
| CHEMBL3326222 | 120560 | 0 | None | 2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 361 | 6 | 2 | 2 | 4.7 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCc2c[nH]c3ccccc23)CC1 | 10.1021/ml500116x | ||
| CHEMBL3545626 | 120560 | 0 | None | 2 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 361 | 6 | 2 | 2 | 4.7 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCc2c[nH]c3ccccc23)CC1 | 10.1021/ml500116x | ||
| 44394419 | 66209 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 377 | 2 | 1 | 3 | 3.4 | O=S1(=O)NCc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| CHEMBL184451 | 66209 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 377 | 2 | 1 | 3 | 3.4 | O=S1(=O)NCc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| 101886205 | 121685 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 363 | 2 | 1 | 4 | 2.9 | O=C1NCN(c2ccccc2)C12CCN([C@H]1CCOc3ccccc31)CC2 | 10.1039/C4MD00082J | ||
| CHEMBL3585402 | 121685 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 363 | 2 | 1 | 4 | 2.9 | O=C1NCN(c2ccccc2)C12CCN([C@H]1CCOc3ccccc31)CC2 | 10.1039/C4MD00082J | ||
| CHEMBL3586792 | 121685 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 363 | 2 | 1 | 4 | 2.9 | O=C1NCN(c2ccccc2)C12CCN([C@H]1CCOc3ccccc31)CC2 | 10.1039/C4MD00082J | ||
| 1684 | 3360 | 21 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 401 | 2 | 1 | 3 | 4.4 | O=C1NCN(C21CCN(CC2)[C@H]1CC[C@H]2c3c1cccc3CCC2)c1ccccc1 | 10.1021/jm201629q | ||
| 9844019 | 3360 | 21 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 401 | 2 | 1 | 3 | 4.4 | O=C1NCN(C21CCN(CC2)[C@H]1CC[C@H]2c3c1cccc3CCC2)c1ccccc1 | 10.1021/jm201629q | ||
| CHEMBL2088034 | 3360 | 21 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 401 | 2 | 1 | 3 | 4.4 | O=C1NCN(C21CCN(CC2)[C@H]1CC[C@H]2c3c1cccc3CCC2)c1ccccc1 | 10.1021/jm201629q | ||
| 16131448 | 2847 | 28 | None | -2 | 5 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 1681 | 2847 | 28 | None | -2 | 5 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 1688 | 2847 | 28 | None | -2 | 5 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 44361543 | 2847 | 28 | None | -2 | 5 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 56947112 | 2847 | 28 | None | -2 | 5 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| CHEMBL396460 | 2847 | 28 | None | -2 | 5 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 86279209 | 111002 | 0 | None | 2 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 414 | 3 | 0 | 2 | 5.9 | CCC1C(=O)N(C2CCN([C@H]3CC[C@@H]4CCCc5cccc3c54)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | ||
| CHEMBL3262544 | 111002 | 0 | None | 2 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 414 | 3 | 0 | 2 | 5.9 | CCC1C(=O)N(C2CCN([C@H]3CC[C@@H]4CCCc5cccc3c54)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | ||
| CHEMBL405645 | 212567 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmcl.2006.04.086 | ||||
| 44394381 | 66978 | 0 | None | 25 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 448 | 5 | 1 | 4 | 2.7 | CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CC(N)=O)S3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| CHEMBL186822 | 66978 | 0 | None | 25 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 448 | 5 | 1 | 4 | 2.7 | CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CC(N)=O)S3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| CHEMBL507269 | 214284 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm800394v | ||||
| CHEMBL384866 | 212337 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(N)=O | 10.1021/jm010092i | ||||
| 9844540 | 85717 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 411 | 4 | 1 | 2 | 6.1 | OC1(c2ccccc2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.03.061 | ||
| CHEMBL228911 | 85717 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 411 | 4 | 1 | 2 | 6.1 | OC1(c2ccccc2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.03.061 | ||
| 10274330 | 66671 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 430 | 4 | 0 | 4 | 3.8 | CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CC#N)S3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| CHEMBL185415 | 66671 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 430 | 4 | 0 | 4 | 3.8 | CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CC#N)S3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| 9863568 | 142087 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | ||
| CHEMBL388123 | 142087 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | ||
| CHEMBL535844 | 142087 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | ||
| CHEMBL541636 | 142087 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | ||
| 53316968 | 57303 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 453 | 4 | 2 | 6 | 4.3 | CC1(C)CN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CCN1 | 10.1016/j.bmc.2010.07.034 | ||
| CHEMBL1650841 | 57303 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 453 | 4 | 2 | 6 | 4.3 | CC1(C)CN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CCN1 | 10.1016/j.bmc.2010.07.034 | ||
| 44456296 | 97718 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 909 | 31 | 15 | 11 | -2.1 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC=O)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | ||
| CHEMBL271478 | 97718 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 909 | 31 | 15 | 11 | -2.1 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC=O)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | ||
| 44456298 | 168801 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 979 | 33 | 15 | 11 | -0.3 | CCCC(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC | 10.1016/j.bmc.2007.11.043 | ||
| CHEMBL437601 | 168801 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 979 | 33 | 15 | 11 | -0.3 | CCCC(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC | 10.1016/j.bmc.2007.11.043 | ||
| CHEMBL2372051 | 210171 | 0 | None | - | 1 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CC[C@](C)(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL2372364 | 210171 | 0 | None | - | 1 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CC[C@](C)(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| 122179060 | 121403 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 521 | 5 | 2 | 5 | 5.4 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1cccc(Cl)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | ||
| CHEMBL3581756 | 121403 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 521 | 5 | 2 | 5 | 5.4 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1cccc(Cl)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | ||
| 122179064 | 121407 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 477 | 5 | 2 | 6 | 4.3 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccoc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | ||
| CHEMBL3581762 | 121407 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 477 | 5 | 2 | 6 | 4.3 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccoc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | ||
| CHEMBL405645 | 212567 | 0 | None | - | 1 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmcl.2006.04.086 | ||||
| CHEMBL427954 | 213394 | 0 | None | - | 1 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CN)C(N)=O | 10.1016/j.bmcl.2006.04.086 | ||||
| 54756990 | 65702 | 0 | None | -2754 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 543 | 7 | 2 | 5 | 5.7 | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | ||
| CHEMBL1834411 | 65702 | 0 | None | -2754 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 543 | 7 | 2 | 5 | 5.7 | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | ||
| 16131448 | 2847 | 28 | None | 2 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm020078l | ||||
| 1681 | 2847 | 28 | None | 2 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm020078l | ||||
| 1688 | 2847 | 28 | None | 2 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm020078l | ||||
| 44361543 | 2847 | 28 | None | 2 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm020078l | ||||
| 56947112 | 2847 | 28 | None | 2 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm020078l | ||||
| CHEMBL396460 | 2847 | 28 | None | 2 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm020078l | ||||
| CHEMBL5085090 | 214946 | 0 | None | -1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| 134563704 | 176632 | 0 | None | 7 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 381 | 6 | 1 | 3 | 5.4 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CCCN)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| CHEMBL4451073 | 176632 | 0 | None | 7 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 381 | 6 | 1 | 3 | 5.4 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CCCN)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| CHEMBL4597933 | 176632 | 0 | None | 7 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 381 | 6 | 1 | 3 | 5.4 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CCCN)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| 16131448 | 2847 | 28 | None | -2 | 5 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 1681 | 2847 | 28 | None | -2 | 5 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 1688 | 2847 | 28 | None | -2 | 5 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 44361543 | 2847 | 28 | None | -2 | 5 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 56947112 | 2847 | 28 | None | -2 | 5 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| CHEMBL396460 | 2847 | 28 | None | -2 | 5 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| CHEMBL424934 | 213325 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm010092i | ||||
| CHEMBL415781 | 213198 | 0 | None | - | 1 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)CCCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL262928 | 210551 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010221v | ||||
| 10109899 | 85708 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 373 | 5 | 1 | 3 | 4.8 | COc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | ||
| CHEMBL228857 | 85708 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 373 | 5 | 1 | 3 | 4.8 | COc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | ||
| CHEMBL5094655 | 215503 | 0 | None | -1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| 9803475 | 77593 | 32 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 443 | 5 | 0 | 5 | 3.7 | COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O | 10.1021/acs.jmedchem.8b00435 | ||
| CHEMBL2088036 | 77593 | 32 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 443 | 5 | 0 | 5 | 3.7 | COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O | 10.1021/acs.jmedchem.8b00435 | ||
| 10042904 | 163320 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | CC(C)[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 | 10.1021/jm034249d | ||
| CHEMBL418980 | 163320 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | CC(C)[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 | 10.1021/jm034249d | ||
| CHEMBL266667 | 210691 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010092i | ||||
| 10042904 | 90455 | 0 | None | 2 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | CC(C)C1CCC(N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2013.03.101 | ||
| CHEMBL2387187 | 90455 | 0 | None | 2 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | CC(C)C1CCC(N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2013.03.101 | ||
| CHEMBL5094439 | 215493 | 0 | None | 5 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| 25235412 | 103316 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 492 | 6 | 1 | 2 | 6.8 | CC(=O)NC[C@@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | ||
| CHEMBL3084527 | 103316 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 492 | 6 | 1 | 2 | 6.8 | CC(=O)NC[C@@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | ||
| 25235412 | 115328 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 492 | 6 | 1 | 2 | 6.8 | CC(=O)NC[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | ||
| CHEMBL3349276 | 115328 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 492 | 6 | 1 | 2 | 6.8 | CC(=O)NC[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | ||
| 44430588 | 86831 | 0 | None | - | 1 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1849 | 63 | 30 | 26 | -10.6 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||
| CHEMBL232245 | 86831 | 0 | None | - | 1 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1849 | 63 | 30 | 26 | -10.6 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||
| CHEMBL541911 | 86831 | 0 | None | - | 1 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 1849 | 63 | 30 | 26 | -10.6 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||
| 44456220 | 155437 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 937 | 31 | 15 | 11 | -1.3 | CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC | 10.1016/j.bmc.2007.11.043 | ||
| CHEMBL403807 | 155437 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 937 | 31 | 15 | 11 | -1.3 | CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC | 10.1016/j.bmc.2007.11.043 | ||
| 22558157 | 111005 | 0 | None | -1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 374 | 3 | 0 | 2 | 4.5 | CCC1C(=O)N(C2CCN(C3CCc4ccccc4C3)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | ||
| CHEMBL3262547 | 111005 | 0 | None | -1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 374 | 3 | 0 | 2 | 4.5 | CCC1C(=O)N(C2CCN(C3CCc4ccccc4C3)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | ||
| 16665918 | 79747 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 370 | 2 | 1 | 1 | 5.9 | Fc1ccc2[nH]cc(C3CCN(C4Cc5cccc6cccc4c56)CC3)c2c1 | 10.1016/j.bmcl.2006.03.094 | ||
| CHEMBL211722 | 79747 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 370 | 2 | 1 | 1 | 5.9 | Fc1ccc2[nH]cc(C3CCN(C4Cc5cccc6cccc4c56)CC3)c2c1 | 10.1016/j.bmcl.2006.03.094 | ||
| 134578342 | 173059 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 438 | 8 | 2 | 4 | 4.7 | CCNCC(=O)NCc1cn(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc12 | 10.1021/acs.jmedchem.9b02134 | ||
| CHEMBL4519453 | 173059 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 438 | 8 | 2 | 4 | 4.7 | CCNCC(=O)NCc1cn(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc12 | 10.1021/acs.jmedchem.9b02134 | ||
| 44181744 | 103371 | 9 | None | 77 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 422 | 4 | 0 | 2 | 6.9 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccccn1)C2 | 10.1021/jm9008218 | ||
| CHEMBL3084634 | 103371 | 9 | None | 77 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 422 | 4 | 0 | 2 | 6.9 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccccn1)C2 | 10.1021/jm9008218 | ||
| 11461888 | 4624 | 3 | None | -1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 338 | 2 | 0 | 2 | 4.0 | O=C1Cc2ccccc2N1C1CCN(C2C3CCCC2CCC3)CC1 | 10.1016/j.bmcl.2013.03.101 | ||
| CHEMBL102900 | 4624 | 3 | None | -1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 338 | 2 | 0 | 2 | 4.0 | O=C1Cc2ccccc2N1C1CCN(C2C3CCCC2CCC3)CC1 | 10.1016/j.bmcl.2013.03.101 | ||
| 11461888 | 4624 | 3 | None | -1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 338 | 2 | 0 | 2 | 4.0 | O=C1Cc2ccccc2N1C1CCN(C2C3CCCC2CCC3)CC1 | 10.1021/jm034249d | ||
| CHEMBL102900 | 4624 | 3 | None | -1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 338 | 2 | 0 | 2 | 4.0 | O=C1Cc2ccccc2N1C1CCN(C2C3CCCC2CCC3)CC1 | 10.1021/jm034249d | ||
| CHEMBL405948 | 212585 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010092i | ||||
| 9863568 | 142087 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | ||
| CHEMBL388123 | 142087 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | ||
| CHEMBL535844 | 142087 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | ||
| CHEMBL541636 | 142087 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | ||
| CHEMBL3809510 | 212273 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.5b01976 | ||||
| CHEMBL394588 | 212475 | 0 | None | - | 1 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CCCC(CCC)(NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL442113 | 213905 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010092i | ||||
| CHEMBL1631922 | 208813 | 0 | None | - | 1 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]2CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc3ccccc3)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2)CCCCNC(=O)C[C@@H](C(N)=O)NC1=O | 10.1021/jm101139f | ||||
| CHEMBL1631922 | 208813 | 0 | None | - | 1 | Mouse | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC(C)C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]2CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc3ccccc3)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2)CCCCNC(=O)C[C@@H](C(N)=O)NC1=O | 10.1021/jm101139f | ||||
| 25208249 | 183963 | 0 | None | 1202 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 441 | 3 | 0 | 4 | 7.6 | CC1(N2CCC(n3c(-c4cc5ccccc5o4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | ||
| CHEMBL481707 | 183963 | 0 | None | 1202 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 441 | 3 | 0 | 4 | 7.6 | CC1(N2CCC(n3c(-c4cc5ccccc5o4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | ||
| CHEMBL555757 | 215730 | 0 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.06.015 | ||||
| CHEMBL526333 | 215678 | 0 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| CHEMBL558807 | 215740 | 0 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.06.015 | ||||
| 16131448 | 2847 | 28 | None | 2 | 5 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.02.047 | ||||
| 1681 | 2847 | 28 | None | 2 | 5 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.02.047 | ||||
| 1688 | 2847 | 28 | None | 2 | 5 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.02.047 | ||||
| 44361543 | 2847 | 28 | None | 2 | 5 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.02.047 | ||||
| 56947112 | 2847 | 28 | None | 2 | 5 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.02.047 | ||||
| CHEMBL396460 | 2847 | 28 | None | 2 | 5 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.02.047 | ||||
| 44551464 | 14176 | 0 | None | 1 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 572 | 4 | 3 | 5 | 3.4 | O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(I)cc1 | 10.1016/j.bmc.2009.07.069 | ||
| CHEMBL1198703 | 14176 | 0 | None | 1 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 572 | 4 | 3 | 5 | 3.4 | O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(I)cc1 | 10.1016/j.bmc.2009.07.069 | ||
| CHEMBL611931 | 14176 | 0 | None | 1 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 572 | 4 | 3 | 5 | 3.4 | O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(I)cc1 | 10.1016/j.bmc.2009.07.069 | ||
| CHEMBL5079758 | 214636 | 0 | None | 151 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| CHEMBL1631921 | 208812 | 0 | None | - | 1 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O | 10.1021/jm101139f | ||||
| 1641 | 2726 | 9 | None | -11 | 7 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 414 | 2 | 3 | 4 | 3.6 | Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)Cc2c1[nH]c1c2cccc1)CC1CC1 | 10.1016/j.bmc.2009.07.069 | ||
| 3829 | 2726 | 9 | None | -11 | 7 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 414 | 2 | 3 | 4 | 3.6 | Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)Cc2c1[nH]c1c2cccc1)CC1CC1 | 10.1016/j.bmc.2009.07.069 | ||
| 5497186 | 2726 | 9 | None | -11 | 7 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 414 | 2 | 3 | 4 | 3.6 | Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)Cc2c1[nH]c1c2cccc1)CC1CC1 | 10.1016/j.bmc.2009.07.069 | ||
| CHEMBL567175 | 2726 | 9 | None | -11 | 7 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 414 | 2 | 3 | 4 | 3.6 | Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)Cc2c1[nH]c1c2cccc1)CC1CC1 | 10.1016/j.bmc.2009.07.069 | ||
| CHEMBL406718 | 212615 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(N)=O | 10.1021/jm010092i | ||||
| 16131448 | 2847 | 28 | None | 2 | 5 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.11.043 | ||||
| 1681 | 2847 | 28 | None | 2 | 5 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.11.043 | ||||
| 1688 | 2847 | 28 | None | 2 | 5 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.11.043 | ||||
| 44361543 | 2847 | 28 | None | 2 | 5 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.11.043 | ||||
| 56947112 | 2847 | 28 | None | 2 | 5 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.11.043 | ||||
| CHEMBL396460 | 2847 | 28 | None | 2 | 5 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.11.043 | ||||
| CHEMBL455289 | 214000 | 0 | None | - | 1 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| CHEMBL1631925 | 208815 | 0 | None | - | 1 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm101139f | ||||
| CHEMBL1631925 | 208815 | 0 | None | - | 1 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm101139f | ||||
| CHEMBL5081139 | 214724 | 0 | None | 12 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| 71624387 | 90463 | 0 | None | 3 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 340 | 2 | 0 | 2 | 4.7 | CC1C(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2013.03.101 | ||
| CHEMBL2387195 | 90463 | 0 | None | 3 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 340 | 2 | 0 | 2 | 4.7 | CC1C(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2013.03.101 | ||
| 10134217 | 66274 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 377 | 3 | 1 | 3 | 3.8 | CC(C)C1CCC(N2CCC(N3c4ccccc4NS3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| CHEMBL184698 | 66274 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 377 | 3 | 1 | 3 | 3.8 | CC(C)C1CCC(N2CCC(N3c4ccccc4NS3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| CHEMBL269029 | 210773 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm800394v | ||||
| CHEMBL269029 | 210773 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010092i | ||||
| CHEMBL265544 | 210651 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010221v | ||||
| 44456185 | 166619 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 951 | 32 | 15 | 11 | -0.9 | CCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC | 10.1016/j.bmc.2007.11.043 | ||
| CHEMBL428076 | 166619 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 951 | 32 | 15 | 11 | -0.9 | CCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC | 10.1016/j.bmc.2007.11.043 | ||
| 5268 | 3654 | 40 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 10.1039/C4MD00082J | ||
| 53 | 3654 | 40 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 10.1039/C4MD00082J | ||
| CHEMBL300555 | 3654 | 40 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 379 | 3 | 1 | 5 | 2.3 | O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1 | 10.1039/C4MD00082J | ||
| CHEMBL505873 | 214197 | 0 | None | - | 1 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| 10137876 | 125047 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 435 | 5 | 1 | 4 | 3.2 | CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CCO)S3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| CHEMBL364398 | 125047 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 435 | 5 | 1 | 4 | 3.2 | CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CCO)S3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| 9863568 | 142087 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | ||
| CHEMBL388123 | 142087 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | ||
| CHEMBL535844 | 142087 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | ||
| CHEMBL541636 | 142087 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | ||
| 122179056 | 121399 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 501 | 5 | 2 | 5 | 5.0 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1cccc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | ||
| CHEMBL3581752 | 121399 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 501 | 5 | 2 | 5 | 5.0 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1cccc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | ||
| 10110916 | 66260 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 389 | 2 | 1 | 3 | 4.0 | O=S1(=O)Nc2ccccc2N1C1CCN(C2CCC3CCCCC3C2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| CHEMBL184646 | 66260 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 389 | 2 | 1 | 3 | 4.0 | O=S1(=O)Nc2ccccc2N1C1CCN(C2CCC3CCCCC3C2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| 44394487 | 65444 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 512 | 7 | 1 | 5 | 2.8 | CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CCNS(C)(=O)=O)S3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| CHEMBL182967 | 65444 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 512 | 7 | 1 | 5 | 2.8 | CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CCNS(C)(=O)=O)S3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| 134563466 | 171290 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 412 | 5 | 2 | 3 | 4.8 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CNC(N)=S)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| CHEMBL4460695 | 171290 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 412 | 5 | 2 | 3 | 4.8 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CNC(N)=S)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| 44574789 | 178546 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 504 | 6 | 1 | 2 | 7.1 | O=C(NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C1CC1 | 10.1016/j.bmcl.2009.03.031 | ||
| CHEMBL466919 | 178546 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 504 | 6 | 1 | 2 | 7.1 | O=C(NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C1CC1 | 10.1016/j.bmcl.2009.03.031 | ||
| 16131448 | 2847 | 28 | None | -14 | 5 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| 1681 | 2847 | 28 | None | -14 | 5 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| 1688 | 2847 | 28 | None | -14 | 5 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| 44361543 | 2847 | 28 | None | -14 | 5 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| 56947112 | 2847 | 28 | None | -14 | 5 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL396460 | 2847 | 28 | None | -14 | 5 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL1631920 | 208811 | 0 | None | - | 1 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/jm101139f | ||||
| CHEMBL1631920 | 208811 | 0 | None | - | 1 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O | 10.1021/jm101139f | ||||
| 53316969 | 57312 | 0 | None | 3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 357 | 3 | 2 | 4 | 3.4 | O=c1[nH]c2ccccc2n1C1CCN(C2(CO)CCCCCCC2)CC1 | 10.1016/j.bmc.2010.07.034 | ||
| CHEMBL1650851 | 57312 | 0 | None | 3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 357 | 3 | 2 | 4 | 3.4 | O=c1[nH]c2ccccc2n1C1CCN(C2(CO)CCCCCCC2)CC1 | 10.1016/j.bmc.2010.07.034 | ||
| CHEMBL5091985 | 215337 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@H](CCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| 10385808 | 66140 | 0 | None | 38 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 391 | 3 | 1 | 3 | 3.5 | CC(C)C1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| CHEMBL184127 | 66140 | 0 | None | 38 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 391 | 3 | 1 | 3 | 3.5 | CC(C)C1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| 53322245 | 57310 | 0 | None | 9 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 439 | 4 | 2 | 6 | 3.9 | CC1CN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CCN1 | 10.1016/j.bmc.2010.07.034 | ||
| CHEMBL1650848 | 57310 | 0 | None | 9 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 439 | 4 | 2 | 6 | 3.9 | CC1CN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CCN1 | 10.1016/j.bmc.2010.07.034 | ||
| 9885005 | 57545 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 355 | 3 | 1 | 3 | 3.6 | CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 | 10.1016/s0960-894x(00)00111-6 | ||
| CHEMBL166387 | 57545 | 0 | None | - | 1 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 355 | 3 | 1 | 3 | 3.6 | CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 | 10.1016/s0960-894x(00)00111-6 | ||
| 15512229 | 3383 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(C21CCN(CC2)[C@@H]1Cc2c3c1cccc3ccc2)c1ccccc1 | 10.1016/s0960-894x(99)00385-6 | ||
| 8864 | 3383 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(C21CCN(CC2)[C@@H]1Cc2c3c1cccc3ccc2)c1ccccc1 | 10.1016/s0960-894x(99)00385-6 | ||
| CHEMBL355202 | 3383 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(C21CCN(CC2)[C@@H]1Cc2c3c1cccc3ccc2)c1ccccc1 | 10.1016/s0960-894x(99)00385-6 | ||
| 1682 | 2850 | 18 | None | -147 | 3 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.04.086 | ||||
| 6324645 | 2850 | 18 | None | -147 | 3 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.04.086 | ||||
| CHEMBL384755 | 2850 | 18 | None | -147 | 3 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.04.086 | ||||
| CHEMBL500773 | 214125 | 0 | None | - | 1 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| CHEMBL1631921 | 208812 | 0 | None | - | 1 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O | 10.1021/jm101139f | ||||
| CHEMBL5081993 | 214779 | 0 | None | -2 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| CHEMBL505632 | 214193 | 0 | None | - | 1 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| CHEMBL1162357 | 208513 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm800394v | ||||
| CHEMBL443591 | 213924 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC1=O | 10.1021/jm010092i | ||||
| CHEMBL394774 | 212477 | 0 | None | - | 1 | Mouse | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| 3917 | 3928 | 0 | None | -28 | 4 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| 44430609 | 3928 | 0 | None | -28 | 4 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL409969 | 3928 | 0 | None | -28 | 4 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| 44388474 | 161040 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1970 | 69 | 33 | 31 | -15.0 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | ||
| CHEMBL411649 | 161040 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 1970 | 69 | 33 | 31 | -15.0 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | ||
| 10022859 | 99168 | 1 | None | 63 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(c2ccccc2)C12CCN(C1Cc3cccc4cccc1c34)CC2 | 10.1021/jm991129q | ||
| CHEMBL281274 | 99168 | 1 | None | 63 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(c2ccccc2)C12CCN(C1Cc3cccc4cccc1c34)CC2 | 10.1021/jm991129q | ||
| CHEMBL5070145 | 214225 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| 90655973 | 111003 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 414 | 3 | 0 | 2 | 5.9 | CCC1C(=O)N(C2CCN([C@@H]3CC[C@@H]4CCCc5cccc3c54)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | ||
| CHEMBL3262545 | 111003 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 414 | 3 | 0 | 2 | 5.9 | CCC1C(=O)N(C2CCN([C@@H]3CC[C@@H]4CCCc5cccc3c54)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | ||
| CHEMBL219144 | 209406 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN)C(N)=O | 10.1016/j.bmcl.2006.04.086 | ||||
| 122179050 | 121392 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 5 | 2 | 5 | 4.5 | CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | ||
| CHEMBL3581740 | 121392 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 485 | 5 | 2 | 5 | 4.5 | CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | ||
| 16007142 | 139351 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 353 | 2 | 1 | 2 | 5.2 | c1cc2c3c(cccc3c1)C(N1CCC(c3c[nH]c4ncccc34)CC1)C2 | 10.1016/j.bmcl.2006.03.094 | ||
| CHEMBL379297 | 139351 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 353 | 2 | 1 | 2 | 5.2 | c1cc2c3c(cccc3c1)C(N1CCC(c3c[nH]c4ncccc34)CC1)C2 | 10.1016/j.bmcl.2006.03.094 | ||
| 122179585 | 121684 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 381 | 2 | 1 | 4 | 3.1 | O=C1NCN(c2ccccc2)C12CCN(C1CCOc3cccc(F)c31)CC2 | 10.1039/C4MD00082J | ||
| CHEMBL3585401 | 121684 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 381 | 2 | 1 | 4 | 3.1 | O=C1NCN(c2ccccc2)C12CCN(C1CCOc3cccc(F)c31)CC2 | 10.1039/C4MD00082J | ||
| CHEMBL3586789 | 121684 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 381 | 2 | 1 | 4 | 3.1 | O=C1NCN(c2ccccc2)C12CCN(C1CCOc3cccc(F)c31)CC2 | 10.1039/C4MD00082J | ||
| 12986253 | 120550 | 0 | None | -3 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 379 | 7 | 2 | 2 | 4.3 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NC(=O)NCCCc2ccccc2)CC1 | 10.1021/ml500116x | ||
| CHEMBL3325881 | 120550 | 0 | None | -3 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 379 | 7 | 2 | 2 | 4.3 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NC(=O)NCCCc2ccccc2)CC1 | 10.1021/ml500116x | ||
| CHEMBL3545610 | 120550 | 0 | None | -3 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 379 | 7 | 2 | 2 | 4.3 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NC(=O)NCCCc2ccccc2)CC1 | 10.1021/ml500116x | ||
| CHEMBL406010 | 212589 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | C[C@@H]1NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm010092i | ||||
| 76316935 | 103319 | 0 | None | 8 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 499 | 5 | 1 | 3 | 6.2 | NC(=O)[C@@]1(c2ccc(Cl)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | ||
| CHEMBL3084530 | 103319 | 0 | None | 8 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 499 | 5 | 1 | 3 | 6.2 | NC(=O)[C@@]1(c2ccc(Cl)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | ||
| 44456140 | 168712 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 951 | 31 | 15 | 11 | -1.1 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | ||
| CHEMBL436852 | 168712 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 951 | 31 | 15 | 11 | -1.1 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | ||
| 134578506 | 174298 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 437 | 5 | 1 | 4 | 5.5 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN4CCC(O)CC4)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| CHEMBL4550088 | 174298 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 437 | 5 | 1 | 4 | 5.5 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN4CCC(O)CC4)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| 101886199 | 121683 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 363 | 2 | 1 | 4 | 2.9 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCOc3ccccc31)CC2 | 10.1039/C4MD00082J | ||
| CHEMBL3585403 | 121683 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 363 | 2 | 1 | 4 | 2.9 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCOc3ccccc31)CC2 | 10.1039/C4MD00082J | ||
| CHEMBL3586777 | 121683 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 363 | 2 | 1 | 4 | 2.9 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCOc3ccccc31)CC2 | 10.1039/C4MD00082J | ||
| 73350483 | 90461 | 0 | None | 2 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 386 | 2 | 0 | 2 | 5.0 | O=C1Cc2ccccc2N1C1CCN(C2CC[C@H]3CCCc4cccc2c43)CC1 | 10.1016/j.bmcl.2013.03.101 | ||
| CHEMBL2387193 | 90461 | 0 | None | 2 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 386 | 2 | 0 | 2 | 5.0 | O=C1Cc2ccccc2N1C1CCN(C2CC[C@H]3CCCc4cccc2c43)CC1 | 10.1016/j.bmcl.2013.03.101 | ||
| 44456299 | 97477 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 979 | 31 | 15 | 11 | -0.3 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(C)(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | ||
| CHEMBL270216 | 97477 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 979 | 31 | 15 | 11 | -0.3 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(C)(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | ||
| 44430590 | 161322 | 0 | None | - | 1 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1863 | 64 | 30 | 26 | -10.2 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||
| CHEMBL412461 | 161322 | 0 | None | - | 1 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1863 | 64 | 30 | 26 | -10.2 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||
| CHEMBL557791 | 161322 | 0 | None | - | 1 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1863 | 64 | 30 | 26 | -10.2 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||
| 155542684 | 173147 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 466 | 10 | 2 | 4 | 5.6 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CNC(=O)CCCCCN)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| CHEMBL4521436 | 173147 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 466 | 10 | 2 | 4 | 5.6 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CNC(=O)CCCCCN)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| 44574629 | 188838 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 458 | 4 | 2 | 3 | 4.9 | Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2CCNC2=O)C3)c(Cl)c1 | 10.1016/j.bmcl.2009.03.031 | ||
| CHEMBL506634 | 188838 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 458 | 4 | 2 | 3 | 4.9 | Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2CCNC2=O)C3)c(Cl)c1 | 10.1016/j.bmcl.2009.03.031 | ||
| CHEMBL5072525 | 214280 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| CHEMBL5090780 | 215278 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| 118718291 | 115327 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 478 | 6 | 0 | 2 | 7.2 | CN(C)C[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | ||
| CHEMBL3349275 | 115327 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 478 | 6 | 0 | 2 | 7.2 | CN(C)C[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | ||
| 44394405 | 64565 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 505 | 5 | 0 | 5 | 4.6 | CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CC(=O)OC(C)(C)C)S3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| CHEMBL181545 | 64565 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 505 | 5 | 0 | 5 | 4.6 | CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CC(=O)OC(C)(C)C)S3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| 44394344 | 66177 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 383 | 2 | 1 | 3 | 2.5 | O=S1(=O)NCc2ccccc2N1C1CCN(C2Cc3ccccc3C2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| CHEMBL184328 | 66177 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 383 | 2 | 1 | 3 | 2.5 | O=S1(=O)NCc2ccccc2N1C1CCN(C2Cc3ccccc3C2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| 16131448 | 2847 | 28 | None | -7 | 5 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm040106v | ||||
| 1681 | 2847 | 28 | None | -7 | 5 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm040106v | ||||
| 1688 | 2847 | 28 | None | -7 | 5 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm040106v | ||||
| 44361543 | 2847 | 28 | None | -7 | 5 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm040106v | ||||
| 56947112 | 2847 | 28 | None | -7 | 5 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm040106v | ||||
| CHEMBL396460 | 2847 | 28 | None | -7 | 5 | Guinea pig | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm040106v | ||||
| 16131448 | 2847 | 28 | None | -14 | 5 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm040106v | ||||
| 1681 | 2847 | 28 | None | -14 | 5 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm040106v | ||||
| 1688 | 2847 | 28 | None | -14 | 5 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm040106v | ||||
| 44361543 | 2847 | 28 | None | -14 | 5 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm040106v | ||||
| 56947112 | 2847 | 28 | None | -14 | 5 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm040106v | ||||
| CHEMBL396460 | 2847 | 28 | None | -14 | 5 | Mouse | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm040106v | ||||
| 16131448 | 2847 | 28 | None | -2 | 5 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 1681 | 2847 | 28 | None | -2 | 5 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 1688 | 2847 | 28 | None | -2 | 5 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 44361543 | 2847 | 28 | None | -2 | 5 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 56947112 | 2847 | 28 | None | -2 | 5 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| CHEMBL396460 | 2847 | 28 | None | -2 | 5 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | ||||
| 25207946 | 191296 | 0 | None | 275 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 469 | 3 | 0 | 3 | 7.9 | CC1(N2CCC(n3c(-c4cccc(C(F)(F)F)c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | ||
| CHEMBL519100 | 191296 | 0 | None | 275 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 469 | 3 | 0 | 3 | 7.9 | CC1(N2CCC(n3c(-c4cccc(C(F)(F)F)c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | ||
| CHEMBL503512 | 214167 | 0 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| CHEMBL504587 | 214179 | 0 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| CHEMBL504587 | 214179 | 0 | None | - | 1 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.06.015 | ||||
| CHEMBL510117 | 215579 | 0 | None | - | 1 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| 44574586 | 189321 | 0 | None | 33 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 453 | 4 | 1 | 4 | 5.7 | Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(c2ccncn2)C3)c(Cl)c1 | 10.1016/j.bmcl.2009.03.031 | ||
| CHEMBL512411 | 189321 | 0 | None | 33 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 453 | 4 | 1 | 4 | 5.7 | Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(c2ccncn2)C3)c(Cl)c1 | 10.1016/j.bmcl.2009.03.031 | ||
| 44574672 | 189382 | 0 | None | 10 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 451 | 5 | 0 | 2 | 7.3 | COC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | ||
| CHEMBL512950 | 189382 | 0 | None | 10 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 451 | 5 | 0 | 2 | 7.3 | COC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | ||
| CHEMBL510117 | 215579 | 0 | None | - | 1 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.06.015 | ||||
| 90655974 | 111004 | 0 | None | -1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 374 | 3 | 0 | 2 | 5.1 | CCC1C(=O)N(C2CCN(C3CCCc4ccccc43)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | ||
| CHEMBL3262546 | 111004 | 0 | None | -1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 374 | 3 | 0 | 2 | 5.1 | CCC1C(=O)N(C2CCN(C3CCCc4ccccc43)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | ||
| 10714523 | 99105 | 1 | None | 7 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 375 | 2 | 1 | 3 | 3.8 | Cc1cccc2c1CCCC2N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm991129q | ||
| CHEMBL280827 | 99105 | 1 | None | 7 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 375 | 2 | 1 | 3 | 3.8 | Cc1cccc2c1CCCC2N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm991129q | ||
| 44455999 | 97509 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 965 | 32 | 15 | 11 | -0.7 | CCC(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC | 10.1016/j.bmc.2007.11.043 | ||
| CHEMBL270394 | 97509 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 965 | 32 | 15 | 11 | -0.7 | CCC(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC | 10.1016/j.bmc.2007.11.043 | ||
| 90655972 | 111001 | 0 | None | 14 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 386 | 2 | 0 | 2 | 5.0 | O=C1Cc2ccccc2N1C1CCN([C@@H]2CC[C@@H]3CCCc4cccc2c43)CC1 | 10.1016/j.bmc.2014.02.047 | ||
| CHEMBL3262543 | 111001 | 0 | None | 14 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 386 | 2 | 0 | 2 | 5.0 | O=C1Cc2ccccc2N1C1CCN([C@@H]2CC[C@@H]3CCCc4cccc2c43)CC1 | 10.1016/j.bmc.2014.02.047 | ||
| 53319617 | 57311 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 441 | 4 | 1 | 4 | 5.8 | OCC1(N2CCC(n3c(-c4ccc(F)c(Cl)c4)nc4ccccc43)CC2)CCCCC1 | 10.1016/j.bmc.2010.07.034 | ||
| CHEMBL1650849 | 57311 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 441 | 4 | 1 | 4 | 5.8 | OCC1(N2CCC(n3c(-c4ccc(F)c(Cl)c4)nc4ccccc43)CC2)CCCCC1 | 10.1016/j.bmc.2010.07.034 | ||
| CHEMBL5073730 | 214300 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| 134563691 | 171060 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 381 | 5 | 0 | 3 | 5.6 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN(C)C)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| CHEMBL4457077 | 171060 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 381 | 5 | 0 | 3 | 5.6 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN(C)C)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| 44574743 | 178599 | 0 | None | 14 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 494 | 5 | 1 | 3 | 7.0 | COC(=O)NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | ||
| CHEMBL467313 | 178599 | 0 | None | 14 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 494 | 5 | 1 | 3 | 7.0 | COC(=O)NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | ||
| 129188459 | 175166 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 326 | 3 | 0 | 2 | 4.7 | CC(C)[C@H]1CC[C@@H](N2CCC(N3CCc4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| CHEMBL4570328 | 175166 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 326 | 3 | 0 | 2 | 4.7 | CC(C)[C@H]1CC[C@@H](N2CCC(N3CCc4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| 71624270 | 90462 | 0 | None | 2 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 354 | 3 | 0 | 2 | 4.8 | CC1C(=O)N(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2013.03.101 | ||
| CHEMBL2387194 | 90462 | 0 | None | 2 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 354 | 3 | 0 | 2 | 4.8 | CC1C(=O)N(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2013.03.101 | ||
| 44430588 | 86831 | 0 | None | - | 1 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1849 | 63 | 30 | 26 | -10.6 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||
| CHEMBL232245 | 86831 | 0 | None | - | 1 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1849 | 63 | 30 | 26 | -10.6 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||
| CHEMBL541911 | 86831 | 0 | None | - | 1 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 1849 | 63 | 30 | 26 | -10.6 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||
| CHEMBL5086409 | 215026 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| CHEMBL413944 | 213101 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm040106v | ||||
| 44413442 | 79941 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 400 | 2 | 1 | 1 | 6.8 | Cc1[nH]c2ccc(Cl)cc2c1C1CCN(C2Cc3cccc4cccc2c34)CC1 | 10.1016/j.bmcl.2006.03.094 | ||
| CHEMBL212575 | 79941 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 400 | 2 | 1 | 1 | 6.8 | Cc1[nH]c2ccc(Cl)cc2c1C1CCN(C2Cc3cccc4cccc2c34)CC1 | 10.1016/j.bmcl.2006.03.094 | ||
| 44394559 | 66306 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 407 | 3 | 1 | 3 | 3.7 | O=S1(=O)NCc2ccccc2N1C1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| CHEMBL184865 | 66306 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 407 | 3 | 1 | 3 | 3.7 | O=S1(=O)NCc2ccccc2N1C1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2004.08.001 | ||
| CHEMBL5092388 | 215363 | 0 | None | -8 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| 134578456 | 172135 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 423 | 5 | 1 | 4 | 5.1 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN4CC[C@@H](O)C4)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| CHEMBL4473045 | 172135 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 423 | 5 | 1 | 4 | 5.1 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN4CC[C@@H](O)C4)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| 1682 | 2850 | 18 | None | -147 | 3 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.04.086 | ||||
| 6324645 | 2850 | 18 | None | -147 | 3 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.04.086 | ||||
| CHEMBL384755 | 2850 | 18 | None | -147 | 3 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.04.086 | ||||
| 11848793 | 189322 | 0 | None | 63 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 464 | 5 | 1 | 2 | 6.1 | NC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | ||
| CHEMBL512414 | 189322 | 0 | None | 63 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 464 | 5 | 1 | 2 | 6.1 | NC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | ||
| 24800107 | 191859 | 0 | None | 2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 437 | 3 | 1 | 5 | 5.4 | CC1CN(c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)CC(C)N1 | 10.1021/jm7012979 | ||
| CHEMBL519925 | 191859 | 0 | None | 2 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 437 | 3 | 1 | 5 | 5.4 | CC1CN(c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)CC(C)N1 | 10.1021/jm7012979 | ||
| 71624388 | 90465 | 0 | None | 5 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 354 | 3 | 0 | 2 | 5.1 | CCC1C(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2013.03.101 | ||
| CHEMBL2387197 | 90465 | 0 | None | 5 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 354 | 3 | 0 | 2 | 5.1 | CCC1C(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2013.03.101 | ||
| 24798598 | 112583 | 11 | None | -23 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 364 | 2 | 2 | 2 | 4.8 | CN[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3cc(F)ccc3[nH]c12 | 10.1021/ml500117c | ||
| CHEMBL3301613 | 112583 | 11 | None | -23 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 364 | 2 | 2 | 2 | 4.8 | CN[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3cc(F)ccc3[nH]c12 | 10.1021/ml500117c | ||
| CHEMBL3325959 | 112583 | 11 | None | -23 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 364 | 2 | 2 | 2 | 4.8 | CN[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3cc(F)ccc3[nH]c12 | 10.1021/ml500117c | ||
| CHEMBL5072270 | 214275 | 0 | None | -3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| CHEMBL442305 | 213908 | 0 | None | - | 1 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN)C(N)=O | 10.1016/j.bmcl.2006.04.086 | ||||
| CHEMBL427954 | 213394 | 0 | None | - | 1 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CN)C(N)=O | 10.1016/j.bmcl.2006.04.086 | ||||
| 44574631 | 178507 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 457 | 4 | 2 | 4 | 5.1 | Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2=NCCCN2)C3)c(Cl)c1 | 10.1016/j.bmcl.2009.03.031 | ||
| CHEMBL466679 | 178507 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 457 | 4 | 2 | 4 | 5.1 | Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2=NCCCN2)C3)c(Cl)c1 | 10.1016/j.bmcl.2009.03.031 | ||
| 76324309 | 103320 | 0 | None | 6 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 543 | 5 | 1 | 3 | 6.3 | NC(=O)[C@@]1(c2ccc(Br)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | ||
| CHEMBL3084531 | 103320 | 0 | None | 6 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 543 | 5 | 1 | 3 | 6.3 | NC(=O)[C@@]1(c2ccc(Br)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | ||
| CHEMBL234724 | 209536 | 0 | None | - | 1 | Mouse | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)CCCCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL5075880 | 214400 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| CHEMBL415583 | 213189 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | COc1ccc(C[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)cc1 | 10.1021/jm010221v | ||||
| 16131448 | 2847 | 28 | None | -2 | 5 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(00)00111-6 | ||||
| 1681 | 2847 | 28 | None | -2 | 5 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(00)00111-6 | ||||
| 1688 | 2847 | 28 | None | -2 | 5 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(00)00111-6 | ||||
| 44361543 | 2847 | 28 | None | -2 | 5 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(00)00111-6 | ||||
| 56947112 | 2847 | 28 | None | -2 | 5 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(00)00111-6 | ||||
| CHEMBL396460 | 2847 | 28 | None | -2 | 5 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | None | 10.1016/s0960-894x(00)00111-6 | ||||
| 129188454 | 169831 | 0 | None | 46 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 367 | 4 | 1 | 4 | 5.3 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(/C=N/O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| CHEMBL4439811 | 169831 | 0 | None | 46 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 367 | 4 | 1 | 4 | 5.3 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(/C=N/O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| CHEMBL5081432 | 214746 | 0 | None | 12 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| CHEMBL5092204 | 215350 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| 146034955 | 174636 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 399 | 5 | 1 | 5 | 3.9 | CCn1c(=O)n([C@@H]2CCN(C3CCC(C(C)C)CC3)C[C@H]2CO)c2ccccc21 | 10.1021/acs.jmedchem.8b00435 | ||
| CHEMBL4558048 | 174636 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 399 | 5 | 1 | 5 | 3.9 | CCn1c(=O)n([C@@H]2CCN(C3CCC(C(C)C)CC3)C[C@H]2CO)c2ccccc21 | 10.1021/acs.jmedchem.8b00435 | ||
| CHEMBL410167 | 212801 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(I)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010221v | ||||
| 122179053 | 121395 | 0 | None | -33 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 503 | 5 | 2 | 5 | 4.7 | CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccc(F)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | ||
| CHEMBL3581743 | 121395 | 0 | None | -33 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 503 | 5 | 2 | 5 | 4.7 | CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccc(F)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | ||
| 44430605 | 166402 | 0 | None | - | 1 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 1835 | 63 | 30 | 26 | -10.9 | CCC(C)(NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||
| CHEMBL427699 | 166402 | 0 | None | - | 1 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 1835 | 63 | 30 | 26 | -10.9 | CCC(C)(NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||
| 1682 | 2850 | 18 | None | 7 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800394v | ||||
| 6324645 | 2850 | 18 | None | 7 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800394v | ||||
| CHEMBL384755 | 2850 | 18 | None | 7 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm800394v | ||||
| 90655978 | 111009 | 0 | None | 9 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 362 | 6 | 0 | 2 | 4.6 | CCC1C(=O)N(C2CCN(CCCc3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | ||
| CHEMBL3262551 | 111009 | 0 | None | 9 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 362 | 6 | 0 | 2 | 4.6 | CCC1C(=O)N(C2CCN(CCCc3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | ||
| 146034954 | 171007 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 425 | 5 | 1 | 5 | 4.3 | CCn1c(=O)n([C@@H]2CCN(CC3CCCC4CCCCC43)C[C@H]2CO)c2ccccc21 | 10.1021/acs.jmedchem.8b00435 | ||
| CHEMBL4456531 | 171007 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 425 | 5 | 1 | 5 | 4.3 | CCn1c(=O)n([C@@H]2CCN(CC3CCCC4CCCCC43)C[C@H]2CO)c2ccccc21 | 10.1021/acs.jmedchem.8b00435 | ||
| 44332117 | 107899 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 352 | 2 | 0 | 2 | 4.4 | O=C1Cc2ccccc2N1C1CCN(C2CCC3CCCC[C@@H]3C2)CC1 | 10.1021/jm034249d | ||
| CHEMBL319307 | 107899 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 352 | 2 | 0 | 2 | 4.4 | O=C1Cc2ccccc2N1C1CCN(C2CCC3CCCC[C@@H]3C2)CC1 | 10.1021/jm034249d | ||
| 44430590 | 161322 | 0 | None | - | 1 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1863 | 64 | 30 | 26 | -10.2 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||
| CHEMBL412461 | 161322 | 0 | None | - | 1 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1863 | 64 | 30 | 26 | -10.2 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||
| CHEMBL557791 | 161322 | 0 | None | - | 1 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 1863 | 64 | 30 | 26 | -10.2 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||
| 44574744 | 189305 | 0 | None | 60 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 436 | 4 | 1 | 2 | 6.6 | NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | ||
| CHEMBL512258 | 189305 | 0 | None | 60 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 436 | 4 | 1 | 2 | 6.6 | NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | ||
| 10160920 | 66971 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 447 | 6 | 0 | 3 | 5.0 | CCCCN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2004.08.001 | ||
| CHEMBL186773 | 66971 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 447 | 6 | 0 | 3 | 5.0 | CCCCN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2004.08.001 | ||
| 56664973 | 65699 | 0 | None | -12 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 481 | 6 | 2 | 5 | 4.8 | CCC(C)(C)[C@](C)(O)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5 | 10.1021/jm2003238 | ||
| CHEMBL1834409 | 65699 | 0 | None | -12 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 481 | 6 | 2 | 5 | 4.8 | CCC(C)(C)[C@](C)(O)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5 | 10.1021/jm2003238 | ||
| 9997843 | 99663 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 347 | 2 | 1 | 3 | 3.1 | O=C1NCN(c2ccccc2)C12CCN(C1CCc3ccccc31)CC2 | 10.1021/jm991129q | ||
| CHEMBL284414 | 99663 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 347 | 2 | 1 | 3 | 3.1 | O=C1NCN(c2ccccc2)C12CCN(C1CCc3ccccc31)CC2 | 10.1021/jm991129q | ||
| 16131448 | 2847 | 28 | None | 2 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm2003238 | ||||
| 1681 | 2847 | 28 | None | 2 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm2003238 | ||||
| 1688 | 2847 | 28 | None | 2 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm2003238 | ||||
| 44361543 | 2847 | 28 | None | 2 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm2003238 | ||||
| 56947112 | 2847 | 28 | None | 2 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm2003238 | ||||
| CHEMBL396460 | 2847 | 28 | None | 2 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm2003238 | ||||
| CHEMBL436819 | 213686 | 0 | None | - | 1 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1(NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)CCCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| 9799433 | 90464 | 1 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 368 | 4 | 0 | 2 | 5.2 | CCC1C(=O)N(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2013.03.101 | ||
| CHEMBL2387196 | 90464 | 1 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 368 | 4 | 0 | 2 | 5.2 | CCC1C(=O)N(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2013.03.101 | ||
| 53324890 | 57304 | 0 | None | 138 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 469 | 4 | 1 | 4 | 6.6 | OCC1(N2CCC(n3c(-c4ccc(F)c(Cl)c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1016/j.bmc.2010.07.034 | ||
| CHEMBL1650842 | 57304 | 0 | None | 138 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 469 | 4 | 1 | 4 | 6.6 | OCC1(N2CCC(n3c(-c4ccc(F)c(Cl)c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1016/j.bmc.2010.07.034 | ||
| 16131448 | 2847 | 28 | None | -7 | 5 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| 1681 | 2847 | 28 | None | -7 | 5 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| 1688 | 2847 | 28 | None | -7 | 5 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| 44361543 | 2847 | 28 | None | -7 | 5 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| 56947112 | 2847 | 28 | None | -7 | 5 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL396460 | 2847 | 28 | None | -7 | 5 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL233069 | 209528 | 0 | None | - | 1 | Mouse | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| 90655975 | 111006 | 0 | None | -3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 373 | 4 | 1 | 2 | 4.7 | CCC1C(=O)N(C2CCN(Cc3cccc4[nH]ccc34)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | ||
| CHEMBL3262548 | 111006 | 0 | None | -3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 373 | 4 | 1 | 2 | 4.7 | CCC1C(=O)N(C2CCN(Cc3cccc4[nH]ccc34)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | ||
| 71624268 | 90459 | 0 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 326 | 3 | 0 | 2 | 4.0 | CC(C1CCCCC1)N1CCC(N2C(=O)Cc3ccccc32)CC1 | 10.1016/j.bmcl.2013.03.101 | ||
| CHEMBL2387191 | 90459 | 0 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 326 | 3 | 0 | 2 | 4.0 | CC(C1CCCCC1)N1CCC(N2C(=O)Cc3ccccc32)CC1 | 10.1016/j.bmcl.2013.03.101 | ||
| 71624266 | 90457 | 0 | None | 2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 368 | 4 | 0 | 2 | 5.0 | CCC(C)(C)[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2013.03.101 | ||
| CHEMBL2387189 | 90457 | 0 | None | 2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 368 | 4 | 0 | 2 | 5.0 | CCC(C)(C)[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2013.03.101 | ||
| CHEMBL394775 | 212478 | 0 | None | - | 1 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)CC1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| 90655971 | 111000 | 0 | None | 4 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 386 | 2 | 0 | 2 | 5.0 | O=C1Cc2ccccc2N1C1CCN([C@H]2CC[C@@H]3CCCc4cccc2c43)CC1 | 10.1016/j.bmc.2014.02.047 | ||
| CHEMBL3262542 | 111000 | 0 | None | 4 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 386 | 2 | 0 | 2 | 5.0 | O=C1Cc2ccccc2N1C1CCN([C@H]2CC[C@@H]3CCCc4cccc2c43)CC1 | 10.1016/j.bmc.2014.02.047 | ||
| CHEMBL5081900 | 214772 | 0 | None | 2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| CHEMBL504461 | 214176 | 0 | None | - | 1 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| 76335144 | 103338 | 0 | None | 43 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 495 | 5 | 1 | 4 | 6.4 | COC(=O)N[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | ||
| CHEMBL3084551 | 103338 | 0 | None | 43 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 495 | 5 | 1 | 4 | 6.4 | COC(=O)N[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | ||
| 9947044 | 98269 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 361 | 2 | 1 | 3 | 3.5 | O=C1NCN(c2ccccc2)C12CCN(C1CCCc3ccccc31)CC2 | 10.1021/jm991129q | ||
| CHEMBL27460 | 98269 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 361 | 2 | 1 | 3 | 3.5 | O=C1NCN(c2ccccc2)C12CCN(C1CCCc3ccccc31)CC2 | 10.1021/jm991129q | ||
| CHEMBL526142 | 215671 | 0 | None | - | 1 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| 24824635 | 158821 | 0 | None | -12 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 480 | 4 | 3 | 5 | 3.4 | O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.07.069 | ||
| CHEMBL409458 | 158821 | 0 | None | -12 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 480 | 4 | 3 | 5 | 3.4 | O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.07.069 | ||
| CHEMBL611933 | 158821 | 0 | None | -12 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 480 | 4 | 3 | 5 | 3.4 | O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(Cl)cc1 | 10.1016/j.bmc.2009.07.069 | ||
| CHEMBL524339 | 215602 | 0 | None | - | 1 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | ||||
| 53319615 | 57305 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 451 | 4 | 1 | 4 | 6.5 | OCC1(N2CCC(n3c(-c4ccc(Cl)cc4)nc4ccccc43)CC2)CCCCCCC1 | 10.1016/j.bmc.2010.07.034 | ||
| CHEMBL1650843 | 57305 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 451 | 4 | 1 | 4 | 6.5 | OCC1(N2CCC(n3c(-c4ccc(Cl)cc4)nc4ccccc43)CC2)CCCCCCC1 | 10.1016/j.bmc.2010.07.034 | ||
| CHEMBL5085161 | 214950 | 0 | None | 89 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.0c02062 | ||||
| 44574587 | 178433 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 496 | 6 | 1 | 4 | 6.4 | COc1ccc(CC2(O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccc(C)cc2Cl)nc1 | 10.1016/j.bmcl.2009.03.031 | ||
| CHEMBL466066 | 178433 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 496 | 6 | 1 | 4 | 6.4 | COc1ccc(CC2(O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccc(C)cc2Cl)nc1 | 10.1016/j.bmcl.2009.03.031 | ||
| 11393860 | 4448 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 346 | 2 | 0 | 2 | 3.6 | O=C1Cc2ccccc2N1C1CCN(C2CCc3ccccc3C2)CC1 | 10.1021/jm034249d | ||
| CHEMBL101676 | 4448 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 346 | 2 | 0 | 2 | 3.6 | O=C1Cc2ccccc2N1C1CCN(C2CCc3ccccc3C2)CC1 | 10.1021/jm034249d | ||
| CHEMBL442305 | 213908 | 0 | None | - | 1 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN)C(N)=O | 10.1016/j.bmcl.2006.04.086 | ||||
| 44596170 | 14175 | 0 | None | -933 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 524 | 4 | 3 | 5 | 3.5 | O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(Br)cc1 | 10.1016/j.bmc.2009.07.069 | ||
| CHEMBL1198702 | 14175 | 0 | None | -933 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 524 | 4 | 3 | 5 | 3.5 | O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(Br)cc1 | 10.1016/j.bmc.2009.07.069 | ||
| CHEMBL611930 | 14175 | 0 | None | -933 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 524 | 4 | 3 | 5 | 3.5 | O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(Br)cc1 | 10.1016/j.bmc.2009.07.069 | ||
| 71624389 | 90468 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 354 | 2 | 0 | 2 | 5.1 | CC1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2013.03.101 | ||
| CHEMBL2387200 | 90468 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 354 | 2 | 0 | 2 | 5.1 | CC1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2013.03.101 | ||
| 134578457 | 173953 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 407 | 5 | 0 | 3 | 6.1 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN4CCCC4)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| CHEMBL4541337 | 173953 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 407 | 5 | 0 | 3 | 6.1 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN4CCCC4)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | ||
| 44456412 | 97482 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 965 | 30 | 15 | 11 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | ||
| CHEMBL270231 | 97482 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 965 | 30 | 15 | 11 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | ||
| CHEMBL219144 | 209406 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN)C(N)=O | 10.1016/j.bmcl.2006.04.086 | ||||
| 16131448 | 2847 | 28 | None | -14 | 5 | Mouse | 7.7 | pED50 | = | 7.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.11.043 | ||||
| 1681 | 2847 | 28 | None | -14 | 5 | Mouse | 7.7 | pED50 | = | 7.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.11.043 | ||||
| 1688 | 2847 | 28 | None | -14 | 5 | Mouse | 7.7 | pED50 | = | 7.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.11.043 | ||||
| 44361543 | 2847 | 28 | None | -14 | 5 | Mouse | 7.7 | pED50 | = | 7.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.11.043 | ||||
| 56947112 | 2847 | 28 | None | -14 | 5 | Mouse | 7.7 | pED50 | = | 7.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.11.043 | ||||
| CHEMBL396460 | 2847 | 28 | None | -14 | 5 | Mouse | 7.7 | pED50 | = | 7.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.11.043 | ||||
| 11511090 | 74051 | 0 | None | 5888 | 3 | Human | 9.9 | pIC50 | = | 9.9 | Functional | ChEMBL | 431 | 7 | 1 | 3 | 4.1 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@H]1CCCN1Cc1ccccc1 | 10.1021/jm0509851 | ||
| CHEMBL202225 | 74051 | 0 | None | 5888 | 3 | Human | 9.9 | pIC50 | = | 9.9 | Functional | ChEMBL | 431 | 7 | 1 | 3 | 4.1 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@H]1CCCN1Cc1ccccc1 | 10.1021/jm0509851 | ||
| 10296561 | 1042 | 26 | None | 13182 | 3 | Human | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 433 | 7 | 1 | 4 | 3.7 | O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1 | 10.1021/jm0509851 | ||
| 7361 | 1042 | 26 | None | 13182 | 3 | Human | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 433 | 7 | 1 | 4 | 3.7 | O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1 | 10.1021/jm0509851 | ||
| CHEMBL201945 | 1042 | 26 | None | 13182 | 3 | Human | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 433 | 7 | 1 | 4 | 3.7 | O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1 | 10.1021/jm0509851 | ||
| 44143431 | 178504 | 0 | None | 1288 | 3 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 417 | 5 | 1 | 5 | 4.7 | Cc1ncc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2-c2ncccc2Cl)cc1F | 10.1016/j.bmcl.2009.06.051 | ||
| CHEMBL466648 | 178504 | 0 | None | 1288 | 3 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 417 | 5 | 1 | 5 | 4.7 | Cc1ncc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2-c2ncccc2Cl)cc1F | 10.1016/j.bmcl.2009.06.051 | ||
| 44143431 | 178504 | 0 | None | 1288 | 3 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 417 | 5 | 1 | 5 | 4.7 | Cc1ncc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2-c2ncccc2Cl)cc1F | 10.1016/j.bmcl.2009.04.116 | ||
| CHEMBL466648 | 178504 | 0 | None | 1288 | 3 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 417 | 5 | 1 | 5 | 4.7 | Cc1ncc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2-c2ncccc2Cl)cc1F | 10.1016/j.bmcl.2009.04.116 | ||
| 44143450 | 188815 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 475 | 5 | 1 | 5 | 4.8 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](N5CCCC5=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| CHEMBL506207 | 188815 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 475 | 5 | 1 | 5 | 4.8 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](N5CCCC5=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| 44143456 | 178593 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 460 | 5 | 1 | 7 | 5.0 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](c5nnco5)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| CHEMBL467279 | 178593 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 460 | 5 | 1 | 7 | 5.0 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](c5nnco5)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| 45273531 | 194919 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 348 | 5 | 1 | 4 | 4.3 | Cc1ncc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2C(C)C)cc1F | 10.1016/j.bmcl.2009.06.051 | ||
| CHEMBL541511 | 194919 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 348 | 5 | 1 | 4 | 4.3 | Cc1ncc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2C(C)C)cc1F | 10.1016/j.bmcl.2009.06.051 | ||
| 45270907 | 195757 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 334 | 5 | 1 | 4 | 3.7 | CCn1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cnc(C)c(F)c1 | 10.1016/j.bmcl.2009.06.051 | ||
| CHEMBL557623 | 195757 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 334 | 5 | 1 | 4 | 3.7 | CCn1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cnc(C)c(F)c1 | 10.1016/j.bmcl.2009.06.051 | ||
| 24857819 | 187515 | 0 | None | 114 | 4 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 382 | 4 | 2 | 5 | 3.6 | C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl | 10.1016/j.bmcl.2009.04.022 | ||
| CHEMBL494350 | 187515 | 0 | None | 114 | 4 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 382 | 4 | 2 | 5 | 3.6 | C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl | 10.1016/j.bmcl.2009.04.022 | ||
| 24857819 | 187515 | 0 | None | 114 | 4 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 382 | 4 | 2 | 5 | 3.6 | C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl | 10.1016/j.bmcl.2008.04.037 | ||
| CHEMBL494350 | 187515 | 0 | None | 114 | 4 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 382 | 4 | 2 | 5 | 3.6 | C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl | 10.1016/j.bmcl.2008.04.037 | ||
| 24857820 | 96683 | 0 | None | 190 | 3 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 396 | 7 | 2 | 5 | 4.0 | CCC(C)(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.037 | ||
| CHEMBL263918 | 96683 | 0 | None | 190 | 3 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 396 | 7 | 2 | 5 | 4.0 | CCC(C)(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.037 | ||
| 24857820 | 96683 | 0 | None | 190 | 3 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 396 | 7 | 2 | 5 | 4.0 | CCC(C)(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | ||
| CHEMBL263918 | 96683 | 0 | None | 190 | 3 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 396 | 7 | 2 | 5 | 4.0 | CCC(C)(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | ||
| 44143432 | 178708 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 465 | 5 | 2 | 6 | 4.5 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](NC(=O)OC)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.023 | ||
| CHEMBL468302 | 178708 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 465 | 5 | 2 | 6 | 4.5 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](NC(=O)OC)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.023 | ||
| 44143432 | 178708 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 465 | 5 | 2 | 6 | 4.5 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](NC(=O)OC)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| CHEMBL468302 | 178708 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 465 | 5 | 2 | 6 | 4.5 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](NC(=O)OC)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| 44143453 | 178479 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 474 | 5 | 1 | 8 | 4.1 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](c5nnn(C)n5)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| CHEMBL466448 | 178479 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 474 | 5 | 1 | 8 | 4.1 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](c5nnn(C)n5)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| 44143455 | 178458 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 474 | 5 | 1 | 7 | 5.3 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](c5nc(C)no5)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| CHEMBL466252 | 178458 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 474 | 5 | 1 | 7 | 5.3 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](c5nc(C)no5)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| 45273546 | 195773 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 353 | 6 | 1 | 4 | 3.5 | COCc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.051 | ||
| CHEMBL557721 | 195773 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 353 | 6 | 1 | 4 | 3.5 | COCc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.051 | ||
| 44143428 | 178711 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 399 | 5 | 1 | 5 | 4.6 | Cc1ccc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2-c2ncccc2Cl)cn1 | 10.1016/j.bmcl.2009.04.116 | ||
| CHEMBL468308 | 178711 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 399 | 5 | 1 | 5 | 4.6 | Cc1ccc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2-c2ncccc2Cl)cn1 | 10.1016/j.bmcl.2009.04.116 | ||
| 44143446 | 178454 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 465 | 5 | 1 | 6 | 4.5 | CCOC(=O)N1CCC(C)(Sc2nc3cc(Cl)c(N4CCN(CC)CC4)cc3[nH]2)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| CHEMBL466222 | 178454 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 465 | 5 | 1 | 6 | 4.5 | CCOC(=O)N1CCC(C)(Sc2nc3cc(Cl)c(N4CCN(CC)CC4)cc3[nH]2)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| 44143448 | 178655 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 449 | 5 | 2 | 5 | 4.3 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](NC(C)=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| CHEMBL467677 | 178655 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 449 | 5 | 2 | 5 | 4.3 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](NC(C)=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| 44143451 | 178713 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 449 | 5 | 2 | 5 | 4.1 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](C(=O)NC)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| CHEMBL468315 | 178713 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 449 | 5 | 2 | 5 | 4.1 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](C(=O)NC)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| 44143430 | 189385 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 399 | 5 | 1 | 5 | 4.8 | Cc1ncc(-c2c(C)c(CNC3CCCC3)nn2-c2ncccc2Cl)cc1F | 10.1016/j.bmcl.2009.04.116 | ||
| CHEMBL512975 | 189385 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 399 | 5 | 1 | 5 | 4.8 | Cc1ncc(-c2c(C)c(CNC3CCCC3)nn2-c2ncccc2Cl)cc1F | 10.1016/j.bmcl.2009.04.116 | ||
| 9823363 | 178465 | 0 | None | 1047 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 418 | 4 | 2 | 5 | 3.9 | CCN1CCN(c2cc3[nH]c(C(=O)[C@]4(C)CC[C@@](C)(O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.023 | ||
| CHEMBL466308 | 178465 | 0 | None | 1047 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 418 | 4 | 2 | 5 | 3.9 | CCN1CCN(c2cc3[nH]c(C(=O)[C@]4(C)CC[C@@](C)(O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.023 | ||
| 44143433 | 178564 | 0 | None | 154 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 463 | 5 | 1 | 5 | 4.6 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](N(C)C(C)=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| CHEMBL467057 | 178564 | 0 | None | 154 | 3 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 463 | 5 | 1 | 5 | 4.6 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](N(C)C(C)=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| 1691 | 2105 | 23 | None | 512 | 3 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10.1021/jm0509851 | ||
| 5311194 | 2105 | 23 | None | 512 | 3 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10.1021/jm0509851 | ||
| CHEMBL357076 | 2105 | 23 | None | 512 | 3 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10.1021/jm0509851 | ||
| 24894426 | 185765 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 404 | 3 | 1 | 3 | 5.3 | O[C@H]1C[C@H](CN2CCC(c3c(Cl)cccc3Cl)CC2)CCc2cccnc21 | 10.1021/jm701590h | ||
| CHEMBL486644 | 185765 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 404 | 3 | 1 | 3 | 5.3 | O[C@H]1C[C@H](CN2CCC(c3c(Cl)cccc3Cl)CC2)CCc2cccnc21 | 10.1021/jm701590h | ||
| 44143449 | 178589 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 485 | 6 | 2 | 6 | 3.7 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](NS(C)(=O)=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| CHEMBL467266 | 178589 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 485 | 6 | 2 | 6 | 3.7 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](NS(C)(=O)=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| 44450085 | 96682 | 0 | None | 47 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 408 | 5 | 2 | 5 | 4.1 | CC1(Sc2nc3cc(Cl)c(N4CCN(CCO)CC4)cc3[nH]2)CCCCC1 | 10.1016/j.bmcl.2008.04.054 | ||
| CHEMBL263917 | 96682 | 0 | None | 47 | 3 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 408 | 5 | 2 | 5 | 4.1 | CC1(Sc2nc3cc(Cl)c(N4CCN(CCO)CC4)cc3[nH]2)CCCCC1 | 10.1016/j.bmcl.2008.04.054 | ||
| 44437610 | 145517 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 508 | 10 | 1 | 7 | 4.0 | CNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL391487 | 145517 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 508 | 10 | 1 | 7 | 4.0 | CNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| 44561518 | 189452 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 363 | 3 | 1 | 2 | 5.2 | Cc1ccccc1C1CCN(C[C@@H]2CCc3c(C)cccc3[C@@H](O)C2)CC1 | 10.1021/jm701590h | ||
| CHEMBL513585 | 189452 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 363 | 3 | 1 | 2 | 5.2 | Cc1ccccc1C1CCN(C[C@@H]2CCc3c(C)cccc3[C@@H](O)C2)CC1 | 10.1021/jm701590h | ||
| 44437642 | 91751 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 536 | 11 | 1 | 7 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC(C)C)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL240941 | 91751 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 536 | 11 | 1 | 7 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC(C)C)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| 46879578 | 6035 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 427 | 3 | 1 | 4 | 4.6 | CNC(=O)CN1C(=O)OC2(CCN(C3CCCCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | ||
| CHEMBL1080463 | 6035 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 427 | 3 | 1 | 4 | 4.6 | CNC(=O)CN1C(=O)OC2(CCN(C3CCCCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | ||
| 44437644 | 91795 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 538 | 12 | 2 | 8 | 3.4 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NCCO)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL241155 | 91795 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 538 | 12 | 2 | 8 | 3.4 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NCCO)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| 44437617 | 154976 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 523 | 11 | 0 | 8 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCOC(C)=O)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL401248 | 154976 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 523 | 11 | 0 | 8 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCOC(C)=O)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| 44391133 | 65123 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 457 | 8 | 2 | 6 | 4.9 | CCCC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(n2c(O)nc3ccccc32)CC1 | 10.1016/j.bmcl.2004.11.049 | ||
| CHEMBL182410 | 65123 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 457 | 8 | 2 | 6 | 4.9 | CCCC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(n2c(O)nc3ccccc32)CC1 | 10.1016/j.bmcl.2004.11.049 | ||
| 70682351 | 76661 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 423 | 5 | 0 | 3 | 3.4 | CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(c2ccc(F)cc2)CC1 | 10.1016/j.ejmech.2012.07.021 | ||
| CHEMBL2064158 | 76661 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 423 | 5 | 0 | 3 | 3.4 | CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(c2ccc(F)cc2)CC1 | 10.1016/j.ejmech.2012.07.021 | ||
| 44391081 | 62604 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 471 | 8 | 2 | 6 | 5.2 | Cc1ccc(Cl)c(OC(CC(C)C)C(O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1 | 10.1016/j.bmcl.2004.11.049 | ||
| CHEMBL178318 | 62604 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 471 | 8 | 2 | 6 | 5.2 | Cc1ccc(Cl)c(OC(CC(C)C)C(O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1 | 10.1016/j.bmcl.2004.11.049 | ||
| 44143427 | 189484 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 399 | 5 | 1 | 5 | 4.6 | Cc1ccc(-c2c(C)c(CNC3CCCC3F)nn2-c2ncccc2Cl)cn1 | 10.1016/j.bmcl.2009.04.116 | ||
| CHEMBL513855 | 189484 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 399 | 5 | 1 | 5 | 4.6 | Cc1ccc(-c2c(C)c(CNC3CCCC3F)nn2-c2ncccc2Cl)cn1 | 10.1016/j.bmcl.2009.04.116 | ||
| 11597677 | 73659 | 0 | None | 23 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 454 | 8 | 1 | 3 | 5.4 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1OCc1ccccc1 | 10.1021/jm0509851 | ||
| CHEMBL201805 | 73659 | 0 | None | 23 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 454 | 8 | 1 | 3 | 5.4 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1OCc1ccccc1 | 10.1021/jm0509851 | ||
| 70690755 | 76649 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 419 | 5 | 0 | 3 | 3.6 | Cc1ccccc1C1CCN(CCC(=O)N2c3ccccc3CC2C(=O)N(C)C)CC1 | 10.1016/j.ejmech.2012.07.021 | ||
| CHEMBL2064130 | 76649 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 419 | 5 | 0 | 3 | 3.6 | Cc1ccccc1C1CCN(CCC(=O)N2c3ccccc3CC2C(=O)N(C)C)CC1 | 10.1016/j.ejmech.2012.07.021 | ||
| 46879716 | 6039 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 460 | 4 | 1 | 4 | 3.1 | CNC(=O)CN1c2ccccc2N(C2CCN(C3CCC4CCCCC4C3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | ||
| CHEMBL1080483 | 6039 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 460 | 4 | 1 | 4 | 3.1 | CNC(=O)CN1c2ccccc2N(C2CCN(C3CCC4CCCCC4C3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | ||
| 53318067 | 56430 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 2073 | 50 | 34 | 30 | -13.9 | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC2=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm101139f | ||
| 91933707 | 56430 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 2073 | 50 | 34 | 30 | -13.9 | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC2=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm101139f | ||
| CHEMBL1631930 | 56430 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 2073 | 50 | 34 | 30 | -13.9 | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC2=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm101139f | ||
| 44143418 | 187237 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 401 | 5 | 1 | 5 | 5.0 | Cc1c(CNC2CCCC2)nn(-c2ncccc2Cl)c1-c1ccc(Cl)nc1 | 10.1016/j.bmcl.2009.04.116 | ||
| CHEMBL492585 | 187237 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 401 | 5 | 1 | 5 | 5.0 | Cc1c(CNC2CCCC2)nn(-c2ncccc2Cl)c1-c1ccc(Cl)nc1 | 10.1016/j.bmcl.2009.04.116 | ||
| 11326750 | 186307 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 390 | 3 | 2 | 4 | 3.3 | O[C@H]1C[C@H](CN2CC[C@H](c3ccc(F)cc3Cl)[C@@H](O)C2)Cc2cccnc21 | 10.1021/jm701590h | ||
| CHEMBL487458 | 186307 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 390 | 3 | 2 | 4 | 3.3 | O[C@H]1C[C@H](CN2CC[C@H](c3ccc(F)cc3Cl)[C@@H](O)C2)Cc2cccnc21 | 10.1021/jm701590h | ||
| 70690760 | 76663 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 433 | 5 | 0 | 3 | 3.9 | Cc1cccc(C)c1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1 | 10.1016/j.ejmech.2012.07.021 | ||
| CHEMBL2064160 | 76663 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 433 | 5 | 0 | 3 | 3.9 | Cc1cccc(C)c1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1 | 10.1016/j.ejmech.2012.07.021 | ||
| 53318067 | 56430 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 2073 | 50 | 34 | 30 | -13.9 | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC2=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm101139f | ||
| 91933707 | 56430 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 2073 | 50 | 34 | 30 | -13.9 | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC2=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm101139f | ||
| CHEMBL1631930 | 56430 | 0 | None | - | 1 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 2073 | 50 | 34 | 30 | -13.9 | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC2=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm101139f | ||
| 44437640 | 91230 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 536 | 12 | 1 | 7 | 4.8 | CCCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL240086 | 91230 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 536 | 12 | 1 | 7 | 4.8 | CCCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| 127034022 | 139001 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 333 | 2 | 0 | 2 | 4.2 | c1ccc2c(c1)CC(CN1CCC3(CCc4ccccc43)CC1)CO2 | 10.1016/j.ejmech.2016.02.014 | ||
| CHEMBL3785605 | 139001 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 333 | 2 | 0 | 2 | 4.2 | c1ccc2c(c1)CC(CN1CCC3(CCc4ccccc43)CC1)CO2 | 10.1016/j.ejmech.2016.02.014 | ||
| 44437615 | 90375 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 509 | 10 | 0 | 8 | 4.4 | COC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL238637 | 90375 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 509 | 10 | 0 | 8 | 4.4 | COC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| 44437623 | 145178 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 523 | 11 | 0 | 8 | 4.8 | COC(=O)CCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL391234 | 145178 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 523 | 11 | 0 | 8 | 4.8 | COC(=O)CCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| 44391094 | 64473 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 422 | 7 | 2 | 6 | 4.8 | Cc1ccc(N)cc1OC(CCN1CCC(n2c(O)nc3ccccc32)CC1)C(C)C | 10.1016/j.bmcl.2004.11.049 | ||
| CHEMBL181389 | 64473 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 422 | 7 | 2 | 6 | 4.8 | Cc1ccc(N)cc1OC(CCN1CCC(n2c(O)nc3ccccc32)CC1)C(C)C | 10.1016/j.bmcl.2004.11.049 | ||
| 44437637 | 91895 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 529 | 10 | 0 | 8 | 4.3 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CS(C)(=O)=O)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL241357 | 91895 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 529 | 10 | 0 | 8 | 4.3 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CS(C)(=O)=O)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| 45270917 | 195041 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 341 | 4 | 1 | 3 | 3.8 | Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)c(F)c(F)c1 | 10.1016/j.bmcl.2009.06.051 | ||
| CHEMBL549439 | 195041 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 341 | 4 | 1 | 3 | 3.8 | Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)c(F)c(F)c1 | 10.1016/j.bmcl.2009.06.051 | ||
| 10159203 | 65608 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 421 | 7 | 1 | 5 | 5.5 | Cc1ccc(C)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | ||
| CHEMBL183355 | 65608 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 421 | 7 | 1 | 5 | 5.5 | Cc1ccc(C)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | ||
| 70684436 | 76660 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 405 | 5 | 0 | 3 | 3.3 | CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(c2ccccc2)CC1 | 10.1016/j.ejmech.2012.07.021 | ||
| CHEMBL2064157 | 76660 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 405 | 5 | 0 | 3 | 3.3 | CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(c2ccccc2)CC1 | 10.1016/j.ejmech.2012.07.021 | ||
| 44450208 | 96214 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 410 | 4 | 2 | 4 | 4.7 | Fc1cc2nc(SCc3cccc(Cl)c3Cl)[nH]c2cc1N1CCNCC1 | 10.1016/j.bmcl.2008.04.054 | ||
| CHEMBL260820 | 96214 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 410 | 4 | 2 | 4 | 4.7 | Fc1cc2nc(SCc3cccc(Cl)c3Cl)[nH]c2cc1N1CCNCC1 | 10.1016/j.bmcl.2008.04.054 | ||
| 44391062 | 122622 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 441 | 7 | 1 | 5 | 5.8 | Cc1ccc(Cl)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | ||
| CHEMBL360326 | 122622 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 441 | 7 | 1 | 5 | 5.8 | Cc1ccc(Cl)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | ||
| 44391062 | 122622 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 441 | 7 | 1 | 5 | 5.8 | Cc1ccc(Cl)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | ||
| CHEMBL360326 | 122622 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 441 | 7 | 1 | 5 | 5.8 | Cc1ccc(Cl)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | ||
| 44189834 | 14020 | 0 | None | 1047 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 425 | 6 | 2 | 6 | 2.8 | O=c1n(C(CO)CO)c2ccccc2n1C1CCN(C[C@H]2[C@H]3CC[C@H](C3)C23CC3)CC1 | 10.1021/jm900581g | ||
| CHEMBL1197240 | 14020 | 0 | None | 1047 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 425 | 6 | 2 | 6 | 2.8 | O=c1n(C(CO)CO)c2ccccc2n1C1CCN(C[C@H]2[C@H]3CC[C@H](C3)C23CC3)CC1 | 10.1021/jm900581g | ||
| CHEMBL563657 | 14020 | 0 | None | 1047 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 425 | 6 | 2 | 6 | 2.8 | O=c1n(C(CO)CO)c2ccccc2n1C1CCN(C[C@H]2[C@H]3CC[C@H](C3)C23CC3)CC1 | 10.1021/jm900581g | ||
| 44391067 | 63457 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 425 | 7 | 1 | 5 | 5.3 | Cc1cc(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)ccc1F | 10.1016/j.bmcl.2004.11.049 | ||
| CHEMBL179797 | 63457 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 425 | 7 | 1 | 5 | 5.3 | Cc1cc(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)ccc1F | 10.1016/j.bmcl.2004.11.049 | ||
| 44437628 | 170663 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 522 | 11 | 1 | 7 | 4.4 | CNC(=O)CCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL445154 | 170663 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 522 | 11 | 1 | 7 | 4.4 | CNC(=O)CCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| 46879538 | 6183 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 462 | 5 | 1 | 4 | 3.0 | CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | ||
| CHEMBL1081192 | 6183 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 462 | 5 | 1 | 4 | 3.0 | CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | ||
| 44189733 | 14028 | 4 | None | 741 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 425 | 6 | 2 | 6 | 2.6 | O=c1n(C[C@@H](O)CO)c2ccccc2n1C1CCN(C[C@H]2[C@H]3CC[C@H](C3)C23CC3)CC1 | 10.1021/jm900581g | ||
| CHEMBL1197275 | 14028 | 4 | None | 741 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 425 | 6 | 2 | 6 | 2.6 | O=c1n(C[C@@H](O)CO)c2ccccc2n1C1CCN(C[C@H]2[C@H]3CC[C@H](C3)C23CC3)CC1 | 10.1021/jm900581g | ||
| CHEMBL564840 | 14028 | 4 | None | 741 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 425 | 6 | 2 | 6 | 2.6 | O=c1n(C[C@@H](O)CO)c2ccccc2n1C1CCN(C[C@H]2[C@H]3CC[C@H](C3)C23CC3)CC1 | 10.1021/jm900581g | ||
| 44391157 | 64884 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 452 | 8 | 1 | 7 | 5.1 | Cc1ccc([N+](=O)[O-])c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | ||
| CHEMBL182202 | 64884 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 452 | 8 | 1 | 7 | 5.1 | Cc1ccc([N+](=O)[O-])c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | ||
| 44437646 | 90342 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 534 | 12 | 1 | 7 | 4.6 | C=CCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL238602 | 90342 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 534 | 12 | 1 | 7 | 4.6 | C=CCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| 44437656 | 145713 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 522 | 10 | 1 | 6 | 3.7 | CNC(=O)CN1CN(c2ccccc2)C2(CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)C1=O | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL391631 | 145713 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 522 | 10 | 1 | 6 | 3.7 | CNC(=O)CN1CN(c2ccccc2)C2(CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)C1=O | 10.1016/j.bmc.2006.11.030 | ||
| 44449766 | 155694 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 356 | 4 | 2 | 4 | 3.7 | Cc1ccccc1CSc1nc2cc(F)c(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | ||
| CHEMBL405078 | 155694 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 356 | 4 | 2 | 4 | 3.7 | Cc1ccccc1CSc1nc2cc(F)c(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | ||
| 44391103 | 65569 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 461 | 7 | 1 | 5 | 5.9 | CC(C)C(CCN1CCC(n2c(O)nc3ccccc32)CC1)Oc1ccccc1C(F)(F)F | 10.1016/j.bmcl.2004.11.049 | ||
| CHEMBL183135 | 65569 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 461 | 7 | 1 | 5 | 5.9 | CC(C)C(CCN1CCC(n2c(O)nc3ccccc32)CC1)Oc1ccccc1C(F)(F)F | 10.1016/j.bmcl.2004.11.049 | ||
| 46879669 | 5967 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 436 | 4 | 1 | 4 | 3.4 | CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC4CCCCC4C3)CC2)C1=O | 10.1016/j.bmcl.2009.09.028 | ||
| CHEMBL1079942 | 5967 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 436 | 4 | 1 | 4 | 3.4 | CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC4CCCCC4C3)CC2)C1=O | 10.1016/j.bmcl.2009.09.028 | ||
| 11462727 | 189378 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 366 | 3 | 2 | 4 | 3.2 | Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O | 10.1021/jm701590h | ||
| CHEMBL512896 | 189378 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 366 | 3 | 2 | 4 | 3.2 | Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O | 10.1021/jm701590h | ||
| 135458466 | 79520 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 422 | 5 | 1 | 6 | 3.8 | CN1CCN(c2[nH]ccc3nc(-c4nc(CCc5ccc(Cl)cc5)no4)cc2-3)CC1 | 10.1016/j.bmcl.2006.03.086 | ||
| CHEMBL211390 | 79520 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 422 | 5 | 1 | 6 | 3.8 | CN1CCN(c2[nH]ccc3nc(-c4nc(CCc5ccc(Cl)cc5)no4)cc2-3)CC1 | 10.1016/j.bmcl.2006.03.086 | ||
| 44143432 | 178707 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 465 | 5 | 2 | 6 | 4.5 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@H](NC(=O)OC)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| CHEMBL468301 | 178707 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 465 | 5 | 2 | 6 | 4.5 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@H](NC(=O)OC)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| 45268355 | 196238 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 320 | 4 | 1 | 4 | 3.2 | Cc1ncc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2C)cc1F | 10.1016/j.bmcl.2009.06.051 | ||
| CHEMBL561732 | 196238 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 320 | 4 | 1 | 4 | 3.2 | Cc1ncc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2C)cc1F | 10.1016/j.bmcl.2009.06.051 | ||
| 44576628 | 187725 | 0 | None | 6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 382 | 4 | 2 | 5 | 3.6 | C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl | 10.1016/j.bmcl.2008.04.037 | ||
| CHEMBL495402 | 187725 | 0 | None | 6 | 4 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 382 | 4 | 2 | 5 | 3.6 | C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl | 10.1016/j.bmcl.2008.04.037 | ||
| 45269358 | 196189 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 427 | 6 | 1 | 5 | 5.4 | Cc1ccc(-n2c(-c3ncccc3Cl)nc(CN[C@H]3CC[C@@H](F)C3)c2C(C)C)cn1 | 10.1016/j.bmcl.2009.06.095 | ||
| CHEMBL561397 | 196189 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 427 | 6 | 1 | 5 | 5.4 | Cc1ccc(-n2c(-c3ncccc3Cl)nc(CN[C@H]3CC[C@@H](F)C3)c2C(C)C)cn1 | 10.1016/j.bmcl.2009.06.095 | ||
| 45268498 | 196699 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 413 | 6 | 1 | 5 | 4.8 | CCc1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1 | 10.1016/j.bmcl.2009.06.095 | ||
| CHEMBL564812 | 196699 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 413 | 6 | 1 | 5 | 4.8 | CCc1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1 | 10.1016/j.bmcl.2009.06.095 | ||
| 44143437 | 178633 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 432 | 5 | 2 | 5 | 4.3 | CCN1CCN(c2cc3[nH]c(C(=O)[C@]4(CC)CC[C@@](C)(O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.023 | ||
| CHEMBL467533 | 178633 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 432 | 5 | 2 | 5 | 4.3 | CCN1CCN(c2cc3[nH]c(C(=O)[C@]4(CC)CC[C@@](C)(O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.023 | ||
| 45267505 | 196059 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 343 | 4 | 1 | 3 | 4.0 | Cn1nc(CN[C@H]2CC[C@@H](F)C2)c(Cl)c1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.051 | ||
| CHEMBL560468 | 196059 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 343 | 4 | 1 | 3 | 4.0 | Cn1nc(CN[C@H]2CC[C@@H](F)C2)c(Cl)c1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.051 | ||
| 45273537 | 196426 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 323 | 4 | 1 | 3 | 3.7 | Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.051 | ||
| CHEMBL562932 | 196426 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 323 | 4 | 1 | 3 | 3.7 | Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.051 | ||
| 10199945 | 96684 | 0 | None | 42 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 382 | 6 | 2 | 5 | 3.6 | CCC(C)(C)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | ||
| CHEMBL263919 | 96684 | 0 | None | 42 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 382 | 6 | 2 | 5 | 3.6 | CCC(C)(C)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | ||
| 45102745 | 6041 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 3.4 | CNC(=O)Cn1c(=O)n(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | ||
| CHEMBL1080485 | 6041 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 3.4 | CNC(=O)Cn1c(=O)n(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | ||
| 44143438 | 178731 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 366 | 3 | 1 | 4 | 4.6 | CCN1CCN(c2cc3[nH]c(SC(C)(C)C)nc3cc2Cl)[C@H](C)C1 | 10.1016/j.bmcl.2009.04.022 | ||
| CHEMBL468504 | 178731 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 366 | 3 | 1 | 4 | 4.6 | CCN1CCN(c2cc3[nH]c(SC(C)(C)C)nc3cc2Cl)[C@H](C)C1 | 10.1016/j.bmcl.2009.04.022 | ||
| 44450086 | 158293 | 0 | None | 1 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 394 | 5 | 2 | 5 | 3.8 | OCCN1CCN(c2cc3[nH]c(SC4CCCCC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2008.04.054 | ||
| CHEMBL408901 | 158293 | 0 | None | 1 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 394 | 5 | 2 | 5 | 3.8 | OCCN1CCN(c2cc3[nH]c(SC4CCCCC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2008.04.054 | ||
| 10451761 | 37999 | 0 | None | 38 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 369 | 4 | 0 | 4 | 4.8 | CCn1c(=O)n(C2CCN(CC3CCCCCCC3)CC2)c2ccccc21 | 10.1021/jm990517p | ||
| CHEMBL146013 | 37999 | 0 | None | 38 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 369 | 4 | 0 | 4 | 4.8 | CCn1c(=O)n(C2CCN(CC3CCCCCCC3)CC2)c2ccccc21 | 10.1021/jm990517p | ||
| 10783436 | 38199 | 0 | None | 1 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 341 | 3 | 1 | 4 | 4.7 | Oc1nc2ccccc2n1C1CCN(CC2CCCCCCC2)CC1 | 10.1021/jm990517p | ||
| CHEMBL146191 | 38199 | 0 | None | 1 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 341 | 3 | 1 | 4 | 4.7 | Oc1nc2ccccc2n1C1CCN(CC2CCCCCCC2)CC1 | 10.1021/jm990517p | ||
| 44437648 | 147631 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 548 | 12 | 1 | 7 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NCC4CC4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL393138 | 147631 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 548 | 12 | 1 | 7 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NCC4CC4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| 46879539 | 5492 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 448 | 5 | 1 | 4 | 3.0 | CNC(=O)CN1c2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | ||
| CHEMBL1076242 | 5492 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 448 | 5 | 1 | 4 | 3.0 | CNC(=O)CN1c2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | ||
| 22272877 | 95894 | 0 | None | 6 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 368 | 4 | 2 | 5 | 3.2 | CC(C)(C)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.037 | ||
| CHEMBL259185 | 95894 | 0 | None | 6 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 368 | 4 | 2 | 5 | 3.2 | CC(C)(C)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.037 | ||
| 22272877 | 95894 | 0 | None | 6 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 368 | 4 | 2 | 5 | 3.2 | CC(C)(C)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | ||
| CHEMBL259185 | 95894 | 0 | None | 6 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 368 | 4 | 2 | 5 | 3.2 | CC(C)(C)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | ||
| 11516508 | 138997 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 382 | 2 | 2 | 3 | 4.0 | Oc1ccc(Cl)c2c1CNC(CN1CCC3(CCc4ccccc43)CC1)C2 | 10.1016/j.ejmech.2016.02.014 | ||
| CHEMBL3785560 | 138997 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 382 | 2 | 2 | 3 | 4.0 | Oc1ccc(Cl)c2c1CNC(CN1CCC3(CCc4ccccc43)CC1)C2 | 10.1016/j.ejmech.2016.02.014 | ||
| 44576625 | 187496 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 396 | 7 | 2 | 5 | 4.0 | CCC(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)C(C)C3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.037 | ||
| CHEMBL494219 | 187496 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 396 | 7 | 2 | 5 | 4.0 | CCC(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)C(C)C3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.037 | ||
| 136043779 | 78111 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 408 | 8 | 1 | 4 | 5.2 | CCN(C)CCc1cccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | ||
| CHEMBL210292 | 78111 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 408 | 8 | 1 | 4 | 5.2 | CCN(C)CCc1cccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | ||
| 11552010 | 139015 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 348 | 2 | 2 | 3 | 3.4 | Oc1ccc2c(c1)CC(CN1CCC3(CCc4ccccc43)CC1)NC2 | 10.1016/j.ejmech.2016.02.014 | ||
| CHEMBL3785728 | 139015 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 348 | 2 | 2 | 3 | 3.4 | Oc1ccc2c(c1)CC(CN1CCC3(CCc4ccccc43)CC1)NC2 | 10.1016/j.ejmech.2016.02.014 | ||
| 70690757 | 76654 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 405 | 5 | 0 | 3 | 3.3 | CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(c2ccccc2)CC1 | 10.1016/j.ejmech.2012.07.021 | ||
| CHEMBL2064139 | 76654 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 405 | 5 | 0 | 3 | 3.3 | CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(c2ccccc2)CC1 | 10.1016/j.ejmech.2012.07.021 | ||
| 136043782 | 138662 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 380 | 6 | 1 | 4 | 4.7 | CN(C)Cc1cccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | ||
| CHEMBL377736 | 138662 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 380 | 6 | 1 | 4 | 4.7 | CN(C)Cc1cccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | ||
| 44437602 | 90652 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 11 | 0 | 7 | 4.9 | COCCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL239043 | 90652 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 11 | 0 | 7 | 4.9 | COCCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| 44391155 | 65266 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 475 | 7 | 1 | 5 | 6.6 | Cc1ccc(Cl)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.11.049 | ||
| CHEMBL182819 | 65266 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 475 | 7 | 1 | 5 | 6.6 | Cc1ccc(Cl)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.11.049 | ||
| 44391134 | 123311 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 425 | 7 | 1 | 5 | 5.3 | Cc1ccc(F)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | ||
| CHEMBL361576 | 123311 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 425 | 7 | 1 | 5 | 5.3 | Cc1ccc(F)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | ||
| 11602409 | 139123 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 332 | 2 | 1 | 2 | 3.7 | c1ccc2c(c1)CNC(CN1CCC3(CCc4ccccc43)CC1)C2 | 10.1016/j.ejmech.2016.02.014 | ||
| CHEMBL3786899 | 139123 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 332 | 2 | 1 | 2 | 3.7 | c1ccc2c(c1)CNC(CN1CCC3(CCc4ccccc43)CC1)C2 | 10.1016/j.ejmech.2016.02.014 | ||
| 44437601 | 90626 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 481 | 10 | 0 | 7 | 4.9 | COCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL238833 | 90626 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 481 | 10 | 0 | 7 | 4.9 | COCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| 24894428 | 186325 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 370 | 3 | 1 | 3 | 4.6 | O[C@H]1C[C@H](CN2CCC(c3ccccc3Cl)CC2)CCc2cccnc21 | 10.1021/jm701590h | ||
| CHEMBL487485 | 186325 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 370 | 3 | 1 | 3 | 4.6 | O[C@H]1C[C@H](CN2CCC(c3ccccc3Cl)CC2)CCc2cccnc21 | 10.1021/jm701590h | ||
| 44576627 | 193240 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 394 | 7 | 2 | 5 | 3.8 | CCC(CC)Sc1nc2cc(Cl)c(N3C[C@@H]4C[C@H]3CN4CCO)cc2[nH]1 | 10.1016/j.bmcl.2008.04.037 | ||
| CHEMBL523724 | 193240 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 394 | 7 | 2 | 5 | 3.8 | CCC(CC)Sc1nc2cc(Cl)c(N3C[C@@H]4C[C@H]3CN4CCO)cc2[nH]1 | 10.1016/j.bmcl.2008.04.037 | ||
| 44450210 | 96216 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 410 | 4 | 2 | 4 | 4.7 | Fc1cc2nc(SCc3c(Cl)cccc3Cl)[nH]c2cc1N1CCNCC1 | 10.1016/j.bmcl.2008.04.054 | ||
| CHEMBL260822 | 96216 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 410 | 4 | 2 | 4 | 4.7 | Fc1cc2nc(SCc3c(Cl)cccc3Cl)[nH]c2cc1N1CCNCC1 | 10.1016/j.bmcl.2008.04.054 | ||
| 46879670 | 5968 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 474 | 4 | 1 | 4 | 3.1 | CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC4CCCCC4C3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | ||
| CHEMBL1079943 | 5968 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 474 | 4 | 1 | 4 | 3.1 | CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC4CCCCC4C3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | ||
| 127033703 | 139032 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 388 | 3 | 2 | 3 | 4.4 | Cc1cc(F)ccc1C1CCN(CC2Cc3c(Cl)ccc(O)c3CN2)CC1 | 10.1016/j.ejmech.2016.02.014 | ||
| CHEMBL3785952 | 139032 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 388 | 3 | 2 | 3 | 4.4 | Cc1cc(F)ccc1C1CCN(CC2Cc3c(Cl)ccc(O)c3CN2)CC1 | 10.1016/j.ejmech.2016.02.014 | ||
| 44189735 | 14021 | 0 | None | 363 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 425 | 6 | 2 | 6 | 2.6 | O=c1n(C[C@H](O)CO)c2ccccc2n1C1CCN(C[C@H]2[C@H]3CC[C@H](C3)C23CC3)CC1 | 10.1021/jm900581g | ||
| CHEMBL1197249 | 14021 | 0 | None | 363 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 425 | 6 | 2 | 6 | 2.6 | O=c1n(C[C@H](O)CO)c2ccccc2n1C1CCN(C[C@H]2[C@H]3CC[C@H](C3)C23CC3)CC1 | 10.1021/jm900581g | ||
| CHEMBL563980 | 14021 | 0 | None | 363 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 425 | 6 | 2 | 6 | 2.6 | O=c1n(C[C@H](O)CO)c2ccccc2n1C1CCN(C[C@H]2[C@H]3CC[C@H](C3)C23CC3)CC1 | 10.1021/jm900581g | ||
| 136043759 | 78707 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 380 | 8 | 1 | 4 | 5.2 | CN(C)CCc1cccc2[nH]c(-c3nc(CCCC4CCCCC4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | ||
| CHEMBL211254 | 78707 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 380 | 8 | 1 | 4 | 5.2 | CN(C)CCc1cccc2[nH]c(-c3nc(CCCC4CCCCC4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | ||
| 10221539 | 156996 | 0 | None | 10 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 382 | 7 | 2 | 5 | 3.6 | CCC(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.037 | ||
| CHEMBL407325 | 156996 | 0 | None | 10 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 382 | 7 | 2 | 5 | 3.6 | CCC(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.037 | ||
| 10221539 | 156996 | 0 | None | 10 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 382 | 7 | 2 | 5 | 3.6 | CCC(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | ||
| CHEMBL407325 | 156996 | 0 | None | 10 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 382 | 7 | 2 | 5 | 3.6 | CCC(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | ||
| 44143454 | 189173 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 474 | 5 | 1 | 8 | 4.1 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](c5nnnn5C)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| CHEMBL511205 | 189173 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 474 | 5 | 1 | 8 | 4.1 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](c5nnnn5C)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| 45270184 | 195268 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 399 | 5 | 1 | 5 | 4.6 | Cc1ccc(-n2c(-c3ncccc3Cl)nc(CN[C@H]3CC[C@@H](F)C3)c2C)cn1 | 10.1016/j.bmcl.2009.06.095 | ||
| CHEMBL551208 | 195268 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 399 | 5 | 1 | 5 | 4.6 | Cc1ccc(-n2c(-c3ncccc3Cl)nc(CN[C@H]3CC[C@@H](F)C3)c2C)cn1 | 10.1016/j.bmcl.2009.06.095 | ||
| 22272974 | 96676 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 366 | 6 | 1 | 4 | 4.6 | CCC(CC)Sc1nc2cc(Cl)c(N3CCN(CC)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | ||
| CHEMBL263903 | 96676 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 366 | 6 | 1 | 4 | 4.6 | CCC(CC)Sc1nc2cc(Cl)c(N3CCN(CC)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | ||
| 44437606 | 145516 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 494 | 10 | 1 | 7 | 3.7 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(N)=O)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL391486 | 145516 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 494 | 10 | 1 | 7 | 3.7 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(N)=O)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| 53316771 | 56428 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 1896 | 66 | 31 | 27 | -11.6 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm101139f | ||
| 91933706 | 56428 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 1896 | 66 | 31 | 27 | -11.6 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm101139f | ||
| CHEMBL1631928 | 56428 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 1896 | 66 | 31 | 27 | -11.6 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm101139f | ||
| 53316771 | 56428 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 1896 | 66 | 31 | 27 | -11.6 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm101139f | ||
| 91933706 | 56428 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 1896 | 66 | 31 | 27 | -11.6 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm101139f | ||
| CHEMBL1631928 | 56428 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 1896 | 66 | 31 | 27 | -11.6 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm101139f | ||
| 44437652 | 90625 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 548 | 11 | 1 | 7 | 4.9 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC4CCC4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL238819 | 90625 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 548 | 11 | 1 | 7 | 4.9 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC4CCC4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| 44437619 | 91226 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 497 | 10 | 0 | 7 | 5.6 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CSC)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL240074 | 91226 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 497 | 10 | 0 | 7 | 5.6 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CSC)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| 46879629 | 5871 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 420 | 4 | 1 | 4 | 2.5 | CNC(=O)CN1c2ccccc2N(C2CCN(C3CCCCCC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | ||
| CHEMBL1079417 | 5871 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 420 | 4 | 1 | 4 | 2.5 | CNC(=O)CN1c2ccccc2N(C2CCN(C3CCCCCC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | ||
| 11626062 | 138947 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 426 | 2 | 2 | 3 | 4.1 | Oc1ccc(Br)c2c1CNC(CN1CCC3(CCc4ccccc43)CC1)C2 | 10.1016/j.ejmech.2016.02.014 | ||
| CHEMBL3785095 | 138947 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 426 | 2 | 2 | 3 | 4.1 | Oc1ccc(Br)c2c1CNC(CN1CCC3(CCc4ccccc43)CC1)C2 | 10.1016/j.ejmech.2016.02.014 | ||
| 44437613 | 146889 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 522 | 10 | 0 | 7 | 4.3 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)N(C)C)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL392548 | 146889 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 522 | 10 | 0 | 7 | 4.3 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)N(C)C)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| 10225083 | 166394 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 437 | 8 | 1 | 5 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL427683 | 166394 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 437 | 8 | 1 | 5 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| 44143436 | 178464 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 402 | 4 | 1 | 5 | 3.7 | CCN1CCN(c2cc3[nH]c(C(=O)C4(C)CCC(=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.023 | ||
| CHEMBL466307 | 178464 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 402 | 4 | 1 | 5 | 3.7 | CCN1CCN(c2cc3[nH]c(C(=O)C4(C)CCC(=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.023 | ||
| 10225083 | 166394 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 437 | 8 | 1 | 5 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | ||
| CHEMBL427683 | 166394 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 437 | 8 | 1 | 5 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | ||
| 44450209 | 96215 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 376 | 4 | 2 | 4 | 4.1 | Fc1cc2nc(SCc3ccccc3Cl)[nH]c2cc1N1CCNCC1 | 10.1016/j.bmcl.2008.04.054 | ||
| CHEMBL260821 | 96215 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 376 | 4 | 2 | 4 | 4.1 | Fc1cc2nc(SCc3ccccc3Cl)[nH]c2cc1N1CCNCC1 | 10.1016/j.bmcl.2008.04.054 | ||
| 53319408 | 56427 | 0 | None | - | 1 | Mouse | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 1878 | 66 | 31 | 27 | -11.7 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm101139f | ||
| 91933705 | 56427 | 0 | None | - | 1 | Mouse | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 1878 | 66 | 31 | 27 | -11.7 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm101139f | ||
| CHEMBL1631927 | 56427 | 0 | None | - | 1 | Mouse | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 1878 | 66 | 31 | 27 | -11.7 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm101139f | ||
| 53319408 | 56427 | 0 | None | - | 1 | Mouse | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 1878 | 66 | 31 | 27 | -11.7 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm101139f | ||
| 91933705 | 56427 | 0 | None | - | 1 | Mouse | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 1878 | 66 | 31 | 27 | -11.7 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm101139f | ||
| CHEMBL1631927 | 56427 | 0 | None | - | 1 | Mouse | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 1878 | 66 | 31 | 27 | -11.7 | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm101139f | ||
| 44437610 | 145517 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 508 | 10 | 1 | 7 | 4.0 | CNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL391487 | 145517 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 508 | 10 | 1 | 7 | 4.0 | CNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| 44143452 | 178735 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 470 | 5 | 1 | 6 | 4.2 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](S(C)(=O)=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| CHEMBL468524 | 178735 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 470 | 5 | 1 | 6 | 4.2 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](S(C)(=O)=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| 11583016 | 74351 | 0 | None | 1698 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 440 | 7 | 1 | 3 | 5.6 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1Oc1ccccc1 | 10.1021/jm0509851 | ||
| CHEMBL202443 | 74351 | 0 | None | 1698 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 440 | 7 | 1 | 3 | 5.6 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1Oc1ccccc1 | 10.1021/jm0509851 | ||
| 44143429 | 178734 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 417 | 5 | 1 | 5 | 4.9 | Cc1ccc(-c2c(C)c(CNC3CCC(F)(F)C3)nn2-c2ncccc2Cl)cn1 | 10.1016/j.bmcl.2009.04.116 | ||
| CHEMBL468518 | 178734 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 417 | 5 | 1 | 5 | 4.9 | Cc1ccc(-c2c(C)c(CNC3CCC(F)(F)C3)nn2-c2ncccc2Cl)cn1 | 10.1016/j.bmcl.2009.04.116 | ||
| 44561020 | 179183 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 384 | 3 | 2 | 4 | 3.4 | Cc1cc(F)ccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O | 10.1021/jm701590h | ||
| CHEMBL472304 | 179183 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 384 | 3 | 2 | 4 | 3.4 | Cc1cc(F)ccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O | 10.1021/jm701590h | ||
| 45273679 | 195633 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 351 | 5 | 1 | 3 | 4.6 | Cc1nc(CN[C@H]2CC[C@@H](F)C2)c(C(C)C)n1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.095 | ||
| CHEMBL556300 | 195633 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 351 | 5 | 1 | 3 | 4.6 | Cc1nc(CN[C@H]2CC[C@@H](F)C2)c(C(C)C)n1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.095 | ||
| 44178080 | 196078 | 2 | None | 1584 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 362 | 6 | 1 | 4 | 4.0 | Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCC#N)c1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.051 | ||
| CHEMBL560667 | 196078 | 2 | None | 1584 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 362 | 6 | 1 | 4 | 4.0 | Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCC#N)c1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.051 | ||
| 44143419 | 187603 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 381 | 5 | 1 | 5 | 4.6 | Cc1ccc(-c2c(C)c(CNC3CCCC3)nn2-c2ncccc2Cl)cn1 | 10.1016/j.bmcl.2009.04.116 | ||
| CHEMBL494767 | 187603 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 381 | 5 | 1 | 5 | 4.6 | Cc1ccc(-c2c(C)c(CNC3CCCC3)nn2-c2ncccc2Cl)cn1 | 10.1016/j.bmcl.2009.04.116 | ||
| 44437649 | 90624 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 534 | 11 | 1 | 7 | 4.5 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC4CC4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL238818 | 90624 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 534 | 11 | 1 | 7 | 4.5 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC4CC4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| 44574003 | 178501 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 394 | 4 | 1 | 5 | 4.2 | CC(=O)CN1CCN(c2cc3[nH]c(SC(C)(C)C)nc3cc2Cl)C(C)C1 | 10.1016/j.bmcl.2009.04.022 | ||
| CHEMBL466631 | 178501 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 394 | 4 | 1 | 5 | 4.2 | CC(=O)CN1CCN(c2cc3[nH]c(SC(C)(C)C)nc3cc2Cl)C(C)C1 | 10.1016/j.bmcl.2009.04.022 | ||
| 10301207 | 148653 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 511 | 11 | 0 | 7 | 5.6 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCSC)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL393960 | 148653 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 511 | 11 | 0 | 7 | 5.6 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCSC)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| 70688697 | 76662 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 437 | 5 | 0 | 3 | 3.8 | Cc1cc(F)ccc1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1 | 10.1016/j.ejmech.2012.07.021 | ||
| CHEMBL2064159 | 76662 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 437 | 5 | 0 | 3 | 3.8 | Cc1cc(F)ccc1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1 | 10.1016/j.ejmech.2012.07.021 | ||
| 11525624 | 133537 | 0 | None | 181 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 431 | 7 | 1 | 3 | 4.1 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@@H]1CCCN1Cc1ccccc1 | 10.1021/jm0509851 | ||
| CHEMBL370870 | 133537 | 0 | None | 181 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 431 | 7 | 1 | 3 | 4.1 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@@H]1CCCN1Cc1ccccc1 | 10.1021/jm0509851 | ||
| 136043800 | 77788 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 428 | 7 | 1 | 4 | 5.1 | CN(C)CCc1cccc2[nH]c(-c3nc(CCc4ccc(C(F)(F)F)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | ||
| CHEMBL209213 | 77788 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 428 | 7 | 1 | 4 | 5.1 | CN(C)CCc1cccc2[nH]c(-c3nc(CCc4ccc(C(F)(F)F)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | ||
| 10225083 | 166394 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 437 | 8 | 1 | 5 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL427683 | 166394 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 437 | 8 | 1 | 5 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| 44437645 | 91796 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 552 | 13 | 1 | 8 | 4.0 | COCCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL241157 | 91796 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 552 | 13 | 1 | 8 | 4.0 | COCCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| 44437605 | 90886 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 507 | 11 | 0 | 7 | 5.2 | CCC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL239260 | 90886 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 507 | 11 | 0 | 7 | 5.2 | CCC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| 70696991 | 76659 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 419 | 5 | 0 | 3 | 3.6 | Cc1ccccc1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1 | 10.1016/j.ejmech.2012.07.021 | ||
| CHEMBL2064156 | 76659 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 419 | 5 | 0 | 3 | 3.6 | Cc1ccccc1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1 | 10.1016/j.ejmech.2012.07.021 | ||
| 46879478 | 5485 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 413 | 4 | 1 | 4 | 3.9 | CNC(=O)CN1C(=O)OC2(CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | ||
| CHEMBL1076208 | 5485 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 413 | 4 | 1 | 4 | 3.9 | CNC(=O)CN1C(=O)OC2(CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | ||
| 136043780 | 139266 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 438 | 10 | 1 | 5 | 4.8 | CN(C)CCOCCc1cccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | ||
| CHEMBL379048 | 139266 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 438 | 10 | 1 | 5 | 4.8 | CN(C)CCOCCc1cccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | ||
| 44574053 | 178620 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 451 | 5 | 2 | 6 | 4.1 | CCN1CCN(c2cc3[nH]c(SC4(C)CCC(NC(=O)OC)C4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| CHEMBL467473 | 178620 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 451 | 5 | 2 | 6 | 4.1 | CCN1CCN(c2cc3[nH]c(SC4(C)CCC(NC(=O)OC)C4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| 44143406 | 187497 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 407 | 5 | 1 | 3 | 6.3 | Cc1c(CNC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.04.116 | ||
| CHEMBL494230 | 187497 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 407 | 5 | 1 | 3 | 6.3 | Cc1c(CNC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.04.116 | ||
| 70686573 | 76651 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 2.2 | CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(c2ccccc2)CC1 | 10.1016/j.ejmech.2012.07.021 | ||
| CHEMBL2064133 | 76651 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 2.2 | CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(c2ccccc2)CC1 | 10.1016/j.ejmech.2012.07.021 | ||
| 11188910 | 189441 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 404 | 3 | 2 | 4 | 3.7 | O[C@H]1C[C@H](CN2CC[C@H](c3ccc(F)cc3Cl)[C@@H](O)C2)CCc2cccnc21 | 10.1021/jm701590h | ||
| CHEMBL513423 | 189441 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 404 | 3 | 2 | 4 | 3.7 | O[C@H]1C[C@H](CN2CC[C@H](c3ccc(F)cc3Cl)[C@@H](O)C2)CCc2cccnc21 | 10.1021/jm701590h | ||
| 46879580 | 5866 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 476 | 4 | 1 | 4 | 3.7 | CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCCCCCCCC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | ||
| CHEMBL1079400 | 5866 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 476 | 4 | 1 | 4 | 3.7 | CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCCCCCCCC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | ||
| 44143435 | 178440 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 441 | 5 | 2 | 6 | 3.5 | CCN1CCN(c2cc3[nH]c(C(=O)[C@]4(C)CC[C@@H](NC(=O)OC)CC4)nc3cc2C)CC1 | 10.1016/j.bmcl.2009.04.023 | ||
| CHEMBL466112 | 178440 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 441 | 5 | 2 | 6 | 3.5 | CCN1CCN(c2cc3[nH]c(C(=O)[C@]4(C)CC[C@@H](NC(=O)OC)CC4)nc3cc2C)CC1 | 10.1016/j.bmcl.2009.04.023 | ||
| 44517710 | 196521 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 393 | 8 | 1 | 4 | 5.0 | COCCc1nc(CN[C@H]2CC[C@@H](F)C2)n(C(C)C)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | ||
| CHEMBL563593 | 196521 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 393 | 8 | 1 | 4 | 5.0 | COCCc1nc(CN[C@H]2CC[C@@H](F)C2)n(C(C)C)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | ||
| 1691 | 2105 | 23 | None | 512 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10.1021/jm990517p | ||
| 5311194 | 2105 | 23 | None | 512 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10.1021/jm990517p | ||
| CHEMBL357076 | 2105 | 23 | None | 512 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10.1021/jm990517p | ||
| 11152739 | 189243 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 364 | 3 | 1 | 3 | 4.5 | Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1C | 10.1021/jm701590h | ||
| CHEMBL511658 | 189243 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 364 | 3 | 1 | 3 | 4.5 | Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1C | 10.1021/jm701590h | ||
| 44391138 | 65461 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 445 | 7 | 1 | 5 | 5.7 | CC(C)C(CCN1CCC(n2c(O)nc3ccccc32)CC1)Oc1cc(F)ccc1Cl | 10.1016/j.bmcl.2004.11.049 | ||
| CHEMBL182995 | 65461 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 445 | 7 | 1 | 5 | 5.7 | CC(C)C(CCN1CCC(n2c(O)nc3ccccc32)CC1)Oc1cc(F)ccc1Cl | 10.1016/j.bmcl.2004.11.049 | ||
| 46879537 | 6182 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 424 | 5 | 1 | 4 | 3.3 | CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC(C(C)C)CC3)CC2)C1=O | 10.1016/j.bmcl.2009.09.028 | ||
| CHEMBL1081191 | 6182 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 424 | 5 | 1 | 4 | 3.3 | CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC(C(C)C)CC3)CC2)C1=O | 10.1016/j.bmcl.2009.09.028 | ||
| 11544795 | 139014 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 348 | 2 | 2 | 3 | 3.4 | Oc1cccc2c1CNC(CN1CCC3(CCc4ccccc43)CC1)C2 | 10.1016/j.ejmech.2016.02.014 | ||
| CHEMBL3785718 | 139014 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 348 | 2 | 2 | 3 | 3.4 | Oc1cccc2c1CNC(CN1CCC3(CCc4ccccc43)CC1)C2 | 10.1016/j.ejmech.2016.02.014 | ||
| 44437654 | 145733 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 451 | 8 | 1 | 5 | 4.2 | COc1ccc(C)c(OC(CCN2CCC3(CC2)C(=O)NCN3c2ccccc2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL391650 | 145733 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 451 | 8 | 1 | 5 | 4.2 | COc1ccc(C)c(OC(CCN2CCC3(CC2)C(=O)NCN3c2ccccc2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| 44437647 | 90341 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 584 | 12 | 1 | 7 | 5.6 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NCc4ccccc4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL238600 | 90341 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 584 | 12 | 1 | 7 | 5.6 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NCc4ccccc4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| 127034292 | 139077 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 338 | 3 | 1 | 2 | 4.0 | Cc1cc(F)ccc1C1CCN(CC2Cc3ccccc3CN2)CC1 | 10.1016/j.ejmech.2016.02.014 | ||
| CHEMBL3786469 | 139077 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 338 | 3 | 1 | 2 | 4.0 | Cc1cc(F)ccc1C1CCN(CC2Cc3ccccc3CN2)CC1 | 10.1016/j.ejmech.2016.02.014 | ||
| 45102745 | 6040 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 3.4 | CNC(=O)Cn1c(=O)n(C2CCN([C@H]3CC[C@H](C(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | ||
| CHEMBL1080484 | 6040 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 3.4 | CNC(=O)Cn1c(=O)n(C2CCN([C@H]3CC[C@H](C(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | ||
| 44576626 | 193364 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 410 | 7 | 2 | 5 | 4.4 | CCC(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)C(C)(C)C3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.037 | ||
| CHEMBL525054 | 193364 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 410 | 7 | 2 | 5 | 4.4 | CCC(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)C(C)(C)C3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.037 | ||
| 44143442 | 178500 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 391 | 4 | 1 | 5 | 4.5 | C[C@@H]1CN(CCC#N)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl | 10.1016/j.bmcl.2009.04.022 | ||
| CHEMBL466630 | 178500 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 391 | 4 | 1 | 5 | 4.5 | C[C@@H]1CN(CCC#N)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl | 10.1016/j.bmcl.2009.04.022 | ||
| 45270082 | 195243 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 323 | 4 | 1 | 3 | 3.7 | Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2009.06.051 | ||
| CHEMBL551002 | 195243 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 323 | 4 | 1 | 3 | 3.7 | Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2009.06.051 | ||
| 44437602 | 90652 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 495 | 11 | 0 | 7 | 4.9 | COCCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL239043 | 90652 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 495 | 11 | 0 | 7 | 4.9 | COCCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| 53323365 | 56429 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 1395 | 47 | 24 | 20 | -8.9 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm101139f | ||
| CHEMBL1631929 | 56429 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 1395 | 47 | 24 | 20 | -8.9 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm101139f | ||
| 136043819 | 77935 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 394 | 7 | 1 | 4 | 4.8 | CN(C)CCc1cccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | ||
| CHEMBL209537 | 77935 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 394 | 7 | 1 | 4 | 4.8 | CN(C)CCc1cccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | ||
| 10225083 | 166394 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 437 | 8 | 1 | 5 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL427683 | 166394 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 437 | 8 | 1 | 5 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| 127034023 | 139152 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 331 | 2 | 0 | 1 | 4.8 | c1ccc2c(c1)CCC(CN1CCC3(CCc4ccccc43)CC1)C2 | 10.1016/j.ejmech.2016.02.014 | ||
| CHEMBL3787174 | 139152 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 331 | 2 | 0 | 1 | 4.8 | c1ccc2c(c1)CCC(CN1CCC3(CCc4ccccc43)CC1)C2 | 10.1016/j.ejmech.2016.02.014 | ||
| 46879667 | 5965 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 438 | 4 | 1 | 4 | 3.7 | CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O | 10.1016/j.bmcl.2009.09.028 | ||
| CHEMBL1079940 | 5965 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 438 | 4 | 1 | 4 | 3.7 | CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O | 10.1016/j.bmcl.2009.09.028 | ||
| 17858448 | 95956 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 322 | 5 | 2 | 4 | 3.4 | CCC(CC)Sc1nc2cc(F)c(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | ||
| CHEMBL259452 | 95956 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 322 | 5 | 2 | 4 | 3.4 | CCC(CC)Sc1nc2cc(F)c(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | ||
| 44143457 | 178594 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 474 | 5 | 1 | 7 | 5.3 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](c5nnc(C)o5)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| CHEMBL467280 | 178594 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 474 | 5 | 1 | 7 | 5.3 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](c5nnc(C)o5)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| 11372427 | 179153 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 380 | 4 | 2 | 4 | 3.5 | Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1CO | 10.1021/jm701590h | ||
| CHEMBL472125 | 179153 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 380 | 4 | 2 | 4 | 3.5 | Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1CO | 10.1021/jm701590h | ||
| 46879581 | 5898 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 462 | 4 | 1 | 4 | 3.7 | CNC(=O)CN1c2ccccc2N(C2CCN(C3CCCCCCCCC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | ||
| CHEMBL1079571 | 5898 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 462 | 4 | 1 | 4 | 3.7 | CNC(=O)CN1c2ccccc2N(C2CCN(C3CCCCCCCCC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | ||
| 44143434 | 178514 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 461 | 5 | 2 | 6 | 3.8 | CCN1CCN(c2cc3[nH]c(C(=O)[C@]4(C)CC[C@@H](NC(=O)OC)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.023 | ||
| CHEMBL466702 | 178514 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 461 | 5 | 2 | 6 | 3.8 | CCN1CCN(c2cc3[nH]c(C(=O)[C@]4(C)CC[C@@H](NC(=O)OC)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.023 | ||
| 53320710 | 56431 | 0 | None | - | 1 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 2091 | 50 | 34 | 30 | -13.8 | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC2=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm101139f | ||
| 91933708 | 56431 | 0 | None | - | 1 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 2091 | 50 | 34 | 30 | -13.8 | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC2=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm101139f | ||
| CHEMBL1631931 | 56431 | 0 | None | - | 1 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 2091 | 50 | 34 | 30 | -13.8 | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC2=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm101139f | ||
| 11633324 | 72676 | 0 | None | 724 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 392 | 7 | 2 | 3 | 3.1 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@@H](O)Cc1ccccc1 | 10.1021/jm0509851 | ||
| CHEMBL199639 | 72676 | 0 | None | 724 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 392 | 7 | 2 | 3 | 3.1 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@@H](O)Cc1ccccc1 | 10.1021/jm0509851 | ||
| 53320710 | 56431 | 0 | None | - | 1 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 2091 | 50 | 34 | 30 | -13.8 | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC2=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm101139f | ||
| 91933708 | 56431 | 0 | None | - | 1 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 2091 | 50 | 34 | 30 | -13.8 | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC2=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm101139f | ||
| CHEMBL1631931 | 56431 | 0 | None | - | 1 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 2091 | 50 | 34 | 30 | -13.8 | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC2=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm101139f | ||
| 45272626 | 195762 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 306 | 4 | 2 | 3 | 3.2 | Cc1ncc(-c2[nH]nc(CN[C@H]3CC[C@@H](F)C3)c2C)cc1F | 10.1016/j.bmcl.2009.06.051 | ||
| CHEMBL557653 | 195762 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 306 | 4 | 2 | 3 | 3.2 | Cc1ncc(-c2[nH]nc(CN[C@H]3CC[C@@H](F)C3)c2C)cc1F | 10.1016/j.bmcl.2009.06.051 | ||
| 44437610 | 145517 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 508 | 10 | 1 | 7 | 4.0 | CNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL391487 | 145517 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 508 | 10 | 1 | 7 | 4.0 | CNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| 53323365 | 56429 | 0 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 1395 | 47 | 24 | 20 | -8.9 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm101139f | ||
| CHEMBL1631929 | 56429 | 0 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 1395 | 47 | 24 | 20 | -8.9 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm101139f | ||
| 44437630 | 145560 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 481 | 10 | 1 | 7 | 4.2 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCO)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL391518 | 145560 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 481 | 10 | 1 | 7 | 4.2 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCO)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| 44437602 | 90652 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 495 | 11 | 0 | 7 | 4.9 | COCCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL239043 | 90652 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 495 | 11 | 0 | 7 | 4.9 | COCCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| 44450151 | 95790 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 329 | 5 | 2 | 5 | 3.1 | CCC(CC)Sc1nc2cc(C#N)c(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | ||
| CHEMBL258711 | 95790 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 329 | 5 | 2 | 5 | 3.1 | CCC(CC)Sc1nc2cc(C#N)c(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | ||
| 44391104 | 65012 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 5.5 | Cc1ccc(Cl)c(OC(c2ccccc2)C(O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1 | 10.1016/j.bmcl.2004.11.049 | ||
| CHEMBL182328 | 65012 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 491 | 7 | 2 | 6 | 5.5 | Cc1ccc(Cl)c(OC(c2ccccc2)C(O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1 | 10.1016/j.bmcl.2004.11.049 | ||
| 44437636 | 145437 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 513 | 10 | 0 | 7 | 4.6 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(C[S+](C)[O-])c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL391422 | 145437 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 513 | 10 | 0 | 7 | 4.6 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(C[S+](C)[O-])c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| 11619553 | 161718 | 1 | None | 407 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 424 | 6 | 1 | 2 | 5.5 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1-c1ccccc1 | 10.1021/jm0509851 | ||
| CHEMBL413571 | 161718 | 1 | None | 407 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 424 | 6 | 1 | 2 | 5.5 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1-c1ccccc1 | 10.1021/jm0509851 | ||
| 44143445 | 178453 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 439 | 7 | 2 | 6 | 4.0 | CCN1CCN(c2cc3[nH]c(SC(C)(C)CCNC(=O)OC)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| CHEMBL466221 | 178453 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 439 | 7 | 2 | 6 | 4.0 | CCN1CCN(c2cc3[nH]c(SC(C)(C)CCNC(=O)OC)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | ||
| 44391124 | 96436 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 457 | 8 | 1 | 6 | 5.5 | COc1ccc(Cl)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | ||
| CHEMBL262104 | 96436 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 457 | 8 | 1 | 6 | 5.5 | COc1ccc(Cl)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | ||
| 44437601 | 90626 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 481 | 10 | 0 | 7 | 4.9 | COCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL238833 | 90626 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 481 | 10 | 0 | 7 | 4.9 | COCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| 44437626 | 90621 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 508 | 11 | 0 | 7 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCN(C)C)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL238795 | 90621 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 508 | 11 | 0 | 7 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCN(C)C)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | ||
| 136043788 | 139341 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 420 | 5 | 1 | 4 | 5.5 | CN1CCC(c2cccc3[nH]c(-c4nc(CCc5ccc(Cl)cc5)no4)cc23)CC1 | 10.1016/j.bmcl.2006.03.086 | ||
| CHEMBL379284 | 139341 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 420 | 5 | 1 | 4 | 5.5 | CN1CCC(c2cccc3[nH]c(-c4nc(CCc5ccc(Cl)cc5)no4)cc23)CC1 | 10.1016/j.bmcl.2006.03.086 | ||
| 11187225 | 179163 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 350 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 | 10.1021/jm701590h | ||
| CHEMBL472168 | 179163 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 350 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 | 10.1021/jm701590h | ||
| 22273044 | 95789 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 338 | 5 | 2 | 4 | 3.9 | CCC(CC)Sc1nc2cc(Cl)c(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | ||
| CHEMBL258710 | 95789 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 338 | 5 | 2 | 4 | 3.9 | CCC(CC)Sc1nc2cc(Cl)c(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | ||
| 46879579 | 6036 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 438 | 4 | 1 | 4 | 4.0 | CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCCCCCCCC3)CC2)C1=O | 10.1016/j.bmcl.2009.09.028 | ||
| CHEMBL1080464 | 6036 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 438 | 4 | 1 | 4 | 4.0 | CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCCCCCCCC3)CC2)C1=O | 10.1016/j.bmcl.2009.09.028 | ||
| 45269357 | 196188 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 409 | 6 | 1 | 5 | 5.4 | Cc1ccc(-n2c(-c3ncccc3Cl)nc(CNC3CCCC3)c2C(C)C)cn1 | 10.1016/j.bmcl.2009.06.095 | ||
| CHEMBL561396 | 196188 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 409 | 6 | 1 | 5 | 5.4 | Cc1ccc(-n2c(-c3ncccc3Cl)nc(CNC3CCCC3)c2C(C)C)cn1 | 10.1016/j.bmcl.2009.06.095 | ||
| 44437639 | 91229 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 522 | 11 | 1 | 7 | 4.4 | CCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL240085 | 91229 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 522 | 11 | 1 | 7 | 4.4 | CCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| 44437604 | 90653 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 495 | 11 | 0 | 7 | 5.2 | CCOCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL239045 | 90653 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 495 | 11 | 0 | 7 | 5.2 | CCOCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| 22272900 | 96672 | 1 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 348 | 4 | 2 | 4 | 3.8 | Fc1cc2nc(SCC3CCCCC3)[nH]c2cc1N1CCNCC1 | 10.1016/j.bmcl.2008.04.054 | ||
| CHEMBL263889 | 96672 | 1 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 348 | 4 | 2 | 4 | 3.8 | Fc1cc2nc(SCC3CCCCC3)[nH]c2cc1N1CCNCC1 | 10.1016/j.bmcl.2008.04.054 | ||
| 44390989 | 165889 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 483 | 6 | 2 | 6 | 5.5 | Cc1ccc(Cl)c(OC2(C(O)CN3CCC(n4c(O)nc5ccccc54)CC3)CCCCC2)c1 | 10.1016/j.bmcl.2004.11.049 | ||
| CHEMBL424971 | 165889 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 483 | 6 | 2 | 6 | 5.5 | Cc1ccc(Cl)c(OC2(C(O)CN3CCC(n4c(O)nc5ccccc54)CC3)CCCCC2)c1 | 10.1016/j.bmcl.2004.11.049 | ||
| 44391052 | 129667 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 425 | 7 | 1 | 5 | 5.3 | Cc1cc(F)ccc1OC(CCN1CCC(n2c(O)nc3ccccc32)CC1)C(C)C | 10.1016/j.bmcl.2004.11.049 | ||
| CHEMBL367367 | 129667 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 425 | 7 | 1 | 5 | 5.3 | Cc1cc(F)ccc1OC(CCN1CCC(n2c(O)nc3ccccc32)CC1)C(C)C | 10.1016/j.bmcl.2004.11.049 | ||
| 44437638 | 91228 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 494 | 11 | 1 | 7 | 4.5 | CNCCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| CHEMBL240084 | 91228 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 494 | 11 | 1 | 7 | 4.5 | CNCCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | ||
| 25001412 | 62649 | 0 | None | - | 0 | Human | 9.9 | pKd | = | 9.9 | Functional | ChEMBL | 473 | 8 | 1 | 3 | 5.3 | O=C(NCCCN1CCC(c2c(Cl)cccc2Cl)CC1)[C@H]1CCCN1Cc1ccccc1 | 10.1016/j.bmc.2009.05.068 | ||
| CHEMBL1783826 | 62649 | 0 | None | - | 0 | Human | 9.9 | pKd | = | 9.9 | Functional | ChEMBL | 473 | 8 | 1 | 3 | 5.3 | O=C(NCCCN1CCC(c2c(Cl)cccc2Cl)CC1)[C@H]1CCCN1Cc1ccccc1 | 10.1016/j.bmc.2009.05.068 | ||
| CHEMBL2372052 | 210172 | 0 | None | - | 1 | Guinea pig | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](CN)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL2372052 | 210172 | 0 | None | - | 1 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](CN)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL2372052 | 210172 | 0 | None | - | 1 | Mouse | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](CN)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| 53320710 | 56431 | 0 | None | - | 1 | Mouse | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 2091 | 50 | 34 | 30 | -13.8 | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC2=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm101139f | ||
| 91933708 | 56431 | 0 | None | - | 1 | Mouse | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 2091 | 50 | 34 | 30 | -13.8 | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC2=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm101139f | ||
| CHEMBL1631931 | 56431 | 0 | None | - | 1 | Mouse | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 2091 | 50 | 34 | 30 | -13.8 | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1)C(=O)NCC(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC2=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O | 10.1021/jm101139f | ||
| 25001412 | 62649 | 0 | None | - | 0 | Mouse | 8.0 | pKd | = | 8 | Functional | ChEMBL | 473 | 8 | 1 | 3 | 5.3 | O=C(NCCCN1CCC(c2c(Cl)cccc2Cl)CC1)[C@H]1CCCN1Cc1ccccc1 | 10.1016/j.bmc.2009.05.068 | ||
| CHEMBL1783826 | 62649 | 0 | None | - | 0 | Mouse | 8.0 | pKd | = | 8 | Functional | ChEMBL | 473 | 8 | 1 | 3 | 5.3 | O=C(NCCCN1CCC(c2c(Cl)cccc2Cl)CC1)[C@H]1CCCN1Cc1ccccc1 | 10.1016/j.bmc.2009.05.068 | ||
| 127043001 | 140364 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6 | Functional | ChEMBL | 1577 | 43 | 25 | 17 | -1.7 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1=O | 10.1021/acs.jmedchem.5b01976 | ||
| CHEMBL3808398 | 140364 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6 | Functional | ChEMBL | 1577 | 43 | 25 | 17 | -1.7 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1=O | 10.1021/acs.jmedchem.5b01976 | ||
| CHEMBL269068 | 210775 | 0 | None | - | 0 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| CHEMBL269068 | 210775 | 0 | None | - | 0 | Mouse | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| 127044528 | 140366 | 0 | None | - | 1 | Human | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 1474 | 43 | 23 | 18 | -1.9 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.5b01976 | ||
| CHEMBL3808415 | 140366 | 0 | None | - | 1 | Human | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 1474 | 43 | 23 | 18 | -1.9 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.5b01976 | ||
| CHEMBL269068 | 210775 | 0 | None | - | 0 | Guinea pig | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| 10296561 | 1042 | 26 | None | - | 3 | Mouse | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 433 | 7 | 1 | 4 | 3.7 | O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1 | 10.1016/j.bmc.2009.05.068 | ||
| 7361 | 1042 | 26 | None | - | 3 | Mouse | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 433 | 7 | 1 | 4 | 3.7 | O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1 | 10.1016/j.bmc.2009.05.068 | ||
| CHEMBL201945 | 1042 | 26 | None | - | 3 | Mouse | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 433 | 7 | 1 | 4 | 3.7 | O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1 | 10.1016/j.bmc.2009.05.068 | ||
| 127043559 | 140508 | 0 | None | - | 1 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 1603 | 43 | 26 | 18 | -1.5 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1=O | 10.1021/acs.jmedchem.5b01976 | ||
| CHEMBL3810104 | 140508 | 0 | None | - | 1 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 1603 | 43 | 26 | 18 | -1.5 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1=O | 10.1021/acs.jmedchem.5b01976 | ||
| CHEMBL269068 | 210775 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | ||||
| 127043364 | 140376 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 1575 | 43 | 26 | 18 | -2.1 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1=O | 10.1021/acs.jmedchem.5b01976 | ||
| CHEMBL3808523 | 140376 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 1575 | 43 | 26 | 18 | -2.1 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1=O | 10.1021/acs.jmedchem.5b01976 | ||
| 44339596 | 9794 | 3 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 369 | 3 | 1 | 2 | 5.3 | OC1(c2cccc(C(F)(F)F)c2)CCN(CC2CCCCCCC2)CC1 | 10.1016/s0960-894x(03)00665-6 | ||
| CHEMBL113684 | 9794 | 3 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 369 | 3 | 1 | 2 | 5.3 | OC1(c2cccc(C(F)(F)F)c2)CCN(CC2CCCCCCC2)CC1 | 10.1016/s0960-894x(03)00665-6 | ||
| 11743914 | 109663 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 439 | 6 | 1 | 2 | 6.2 | OC1(c2cccc(C(F)(F)F)c2)CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(03)00665-6 | ||
| CHEMBL322515 | 109663 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 439 | 6 | 1 | 2 | 6.2 | OC1(c2cccc(C(F)(F)F)c2)CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(03)00665-6 | ||
| 44339424 | 9336 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 369 | 3 | 1 | 2 | 5.2 | CC(C)C1CCC(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CC1 | 10.1016/s0960-894x(03)00665-6 | ||
| CHEMBL111192 | 9336 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 369 | 3 | 1 | 2 | 5.2 | CC(C)C1CCC(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CC1 | 10.1016/s0960-894x(03)00665-6 | ||
| 44339695 | 9364 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 381 | 2 | 1 | 2 | 5.3 | OC1(c2cccc(C(F)(F)F)c2)CCN(C2CCC3CCCCC3C2)CC1 | 10.1016/s0960-894x(03)00665-6 | ||
| CHEMBL111347 | 9364 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 381 | 2 | 1 | 2 | 5.3 | OC1(c2cccc(C(F)(F)F)c2)CCN(C2CCC3CCCCC3C2)CC1 | 10.1016/s0960-894x(03)00665-6 | ||
| 44339425 | 8681 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 369 | 4 | 1 | 2 | 5.3 | CCCC1CCC(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CC1 | 10.1016/s0960-894x(03)00665-6 | ||
| CHEMBL109563 | 8681 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 369 | 4 | 1 | 2 | 5.3 | CCCC1CCC(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CC1 | 10.1016/s0960-894x(03)00665-6 | ||
| 44339374 | 110595 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 473 | 6 | 1 | 2 | 6.9 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(03)00665-6 | ||
| CHEMBL325536 | 110595 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 473 | 6 | 1 | 2 | 6.9 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(03)00665-6 | ||
| 44339423 | 9342 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 403 | 3 | 1 | 2 | 5.9 | CC(C)C1CCC(N2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1 | 10.1016/s0960-894x(03)00665-6 | ||
| CHEMBL111230 | 9342 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 403 | 3 | 1 | 2 | 5.9 | CC(C)C1CCC(N2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1 | 10.1016/s0960-894x(03)00665-6 | ||
| 46227963 | 14174 | 0 | None | -3 | 4 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 514 | 4 | 3 | 5 | 3.8 | O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(C(F)(F)F)cc1 | 10.1016/j.bmc.2009.07.069 | ||
| CHEMBL1198701 | 14174 | 0 | None | -3 | 4 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 514 | 4 | 3 | 5 | 3.8 | O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(C(F)(F)F)cc1 | 10.1016/j.bmc.2009.07.069 | ||
| CHEMBL611929 | 14174 | 0 | None | -3 | 4 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 514 | 4 | 3 | 5 | 3.8 | O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(C(F)(F)F)cc1 | 10.1016/j.bmc.2009.07.069 | ||
| 44339576 | 8726 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 403 | 3 | 1 | 2 | 6.0 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CC2CCCCCCC2)CC1 | 10.1016/s0960-894x(03)00665-6 | ||
| CHEMBL109598 | 8726 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 403 | 3 | 1 | 2 | 6.0 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CC2CCCCCCC2)CC1 | 10.1016/s0960-894x(03)00665-6 | ||
| 44339504 | 108842 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 335 | 3 | 1 | 2 | 5.0 | OC1(c2ccc(Cl)cc2)CCN(CC2CCCCCCC2)CC1 | 10.1016/s0960-894x(03)00665-6 | ||
| CHEMBL320991 | 108842 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 335 | 3 | 1 | 2 | 5.0 | OC1(c2ccc(Cl)cc2)CCN(CC2CCCCCCC2)CC1 | 10.1016/s0960-894x(03)00665-6 | ||
| 44339684 | 9677 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 395 | 2 | 1 | 2 | 4.8 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(C2Cc3ccccc3C2)CC1 | 10.1016/s0960-894x(03)00665-6 | ||
| CHEMBL112974 | 9677 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 395 | 2 | 1 | 2 | 4.8 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(C2Cc3ccccc3C2)CC1 | 10.1016/s0960-894x(03)00665-6 | ||
| 10499 | 3850 | 0 | None | - | 1 | Mouse | 7.8 | pA2 | = | 7.8 | Functional | Guide to Pharmacology | 397 | 5 | 1 | 5 | 4.1 | OCC1=C(CCN(C1)CC1CCCCCCC1)n1c(=O)n(c2c1cccc2)CC | 16202610 | ||
| 11494970 | 3850 | 0 | None | - | 1 | Mouse | 7.8 | pA2 | = | 7.8 | Functional | Guide to Pharmacology | 397 | 5 | 1 | 5 | 4.1 | OCC1=C(CCN(C1)CC1CCCCCCC1)n1c(=O)n(c2c1cccc2)CC | 16202610 | ||
| CHEMBL3182208 | 3850 | 0 | None | - | 1 | Mouse | 7.8 | pA2 | = | 7.8 | Functional | Guide to Pharmacology | 397 | 5 | 1 | 5 | 4.1 | OCC1=C(CCN(C1)CC1CCCCCCC1)n1c(=O)n(c2c1cccc2)CC | 16202610 | ||
| 66553195 | 93143 | 34 | None | 1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 386 | 7 | 1 | 5 | 4.7 | COc1ccsc1CNCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1 | None | ||
| CHEMBL2443262 | 93143 | 34 | None | 1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 386 | 7 | 1 | 5 | 4.7 | COc1ccsc1CNCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1 | None | ||
| DB14881 | 93143 | 34 | None | 1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 386 | 7 | 1 | 5 | 4.7 | COc1ccsc1CNCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1 | None | ||
| 12419 | 2472 | 29 | None | 87 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | Guide to Pharmacology | 408 | 3 | 1 | 4 | 5.6 | CC1(CCCCCCC1)N2CCC(CC2)N3C(=NC4=C3C=CC=C4)[C@H]5CNCCC5 | 19125610 | ||
| 24800108 | 2472 | 29 | None | 87 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | Guide to Pharmacology | 408 | 3 | 1 | 4 | 5.6 | CC1(CCCCCCC1)N2CCC(CC2)N3C(=NC4=C3C=CC=C4)[C@H]5CNCCC5 | 19125610 | ||
| CHEMBL481512 | 2472 | 29 | None | 87 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | Guide to Pharmacology | 408 | 3 | 1 | 4 | 5.6 | CC1(CCCCCCC1)N2CCC(CC2)N3C(=NC4=C3C=CC=C4)[C@H]5CNCCC5 | 19125610 | ||
| 1684 | 3360 | 21 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 401 | 2 | 1 | 3 | 4.4 | O=C1NCN(C21CCN(CC2)[C@H]1CC[C@H]2c3c1cccc3CCC2)c1ccccc1 | 11006485 | ||
| 9844019 | 3360 | 21 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 401 | 2 | 1 | 3 | 4.4 | O=C1NCN(C21CCN(CC2)[C@H]1CC[C@H]2c3c1cccc3CCC2)c1ccccc1 | 11006485 | ||
| CHEMBL2088034 | 3360 | 21 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 401 | 2 | 1 | 3 | 4.4 | O=C1NCN(C21CCN(CC2)[C@H]1CC[C@H]2c3c1cccc3CCC2)c1ccccc1 | 11006485 | ||
| 1686 | 3071 | 0 | None | - | 1 | Human | 10.1 | pEC50 | = | 10.1 | Functional | Guide to Pharmacology | None | None | None | None | 15743186 | ||||
| 1679 | 268 | 24 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | None | None | None | None | 9353393 | ||||
| 9963005 | 268 | 24 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | None | None | None | None | 9353393 | ||||
| CHEMBL437723 | 268 | 24 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | None | None | None | None | 9353393 | ||||
| 11597355 | 3552 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 439 | 4 | 1 | 4 | 5.4 | Clc1ccccc1C(c1ccccc1Cl)N1[C@@H]2CC[C@H]1CC(C2)(O)c1ncccn1 | 20006596 | ||
| 8869 | 3552 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 439 | 4 | 1 | 4 | 5.4 | Clc1ccccc1C(c1ccccc1Cl)N1[C@@H]2CC[C@H]1CC(C2)(O)c1ncccn1 | 20006596 | ||
| 49843739 | 3666 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | Guide to Pharmacology | 386 | 2 | 0 | 2 | 5.0 | O=C1Cc2c(N1C1CCN(CC1)C1CCC3c4c1cccc4CCC3)cccc2 | 19773529 | ||
| 8867 | 3666 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | Guide to Pharmacology | 386 | 2 | 0 | 2 | 5.0 | O=C1Cc2c(N1C1CCN(CC1)C1CCC3c4c1cccc4CCC3)cccc2 | 19773529 | ||
| CHEMBL3262554 | 3666 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | Guide to Pharmacology | 386 | 2 | 0 | 2 | 5.0 | O=C1Cc2c(N1C1CCN(CC1)C1CCC3c4c1cccc4CCC3)cccc2 | 19773529 | ||
| 15512229 | 3383 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(C21CCN(CC2)[C@@H]1Cc2c3c1cccc3ccc2)c1ccccc1 | 10476866 | ||
| 8864 | 3383 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(C21CCN(CC2)[C@@H]1Cc2c3c1cccc3ccc2)c1ccccc1 | 10476866 | ||
| CHEMBL355202 | 3383 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(C21CCN(CC2)[C@@H]1Cc2c3c1cccc3ccc2)c1ccccc1 | 10476866 | ||
| 11848225 | 876 | 52 | None | -10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 24713140 | ||
| 8866 | 876 | 52 | None | -10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 24713140 | ||
| CHEMBL2364605 | 876 | 52 | None | -10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 24713140 | ||
| CHEMBL3545616 | 876 | 52 | None | -10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 24713140 | ||
| CHEMBL3962932 | 876 | 52 | None | -10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 24713140 | ||
| DB12830 | 876 | 52 | None | -10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 24713140 | ||
| 8868 | 3545 | 31 | None | 57 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 397 | 4 | 1 | 2 | 5.9 | Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(C2)(O)c1ccccc1 | 18492950 | ||
| 9887077 | 3545 | 31 | None | 57 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 397 | 4 | 1 | 2 | 5.9 | Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(C2)(O)c1ccccc1 | 18492950 | ||
| CHEMBL513136 | 3545 | 31 | None | 57 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | Guide to Pharmacology | 397 | 4 | 1 | 2 | 5.9 | Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(C2)(O)c1ccccc1 | 18492950 | ||
| 8865 | 3236 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 24903280 | ||||
| 1680 | 269 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 9353393 | ||||
| 3917 | 3928 | 0 | None | 3 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 17532097 | ||||
| 3917 | 3928 | 0 | None | 3 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 19183962 | ||||
| 44430609 | 3928 | 0 | None | 3 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 17532097 | ||||
| 44430609 | 3928 | 0 | None | 3 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 19183962 | ||||
| CHEMBL409969 | 3928 | 0 | None | 3 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 17532097 | ||||
| CHEMBL409969 | 3928 | 0 | None | 3 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 19183962 | ||||
| 16131448 | 2847 | 28 | None | 2 | 5 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 9353393 | ||||
| 1681 | 2847 | 28 | None | 2 | 5 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 9353393 | ||||
| 1688 | 2847 | 28 | None | 2 | 5 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 9353393 | ||||
| 44361543 | 2847 | 28 | None | 2 | 5 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 9353393 | ||||
| 56947112 | 2847 | 28 | None | 2 | 5 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 9353393 | ||||
| CHEMBL396460 | 2847 | 28 | None | 2 | 5 | Human | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 9353393 | ||||
| 1691 | 2105 | 23 | None | 512 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10602690 | ||
| 5311194 | 2105 | 23 | None | 512 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10602690 | ||
| CHEMBL357076 | 2105 | 23 | None | 512 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10602690 | ||
| 10047612 | 3527 | 15 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | Guide to Pharmacology | 417 | 3 | 1 | 2 | 6.2 | O[C@H]1C[C@H](CCc2c1cccc2C)CN1CCC(CC1)c1c(Cl)cccc1Cl | 14593080 | ||
| 10047612 | 3527 | 15 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | Guide to Pharmacology | 417 | 3 | 1 | 2 | 6.2 | O[C@H]1C[C@H](CCc2c1cccc2C)CN1CCC(CC1)c1c(Cl)cccc1Cl | 17329552 | ||
| 1693 | 3527 | 15 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | Guide to Pharmacology | 417 | 3 | 1 | 2 | 6.2 | O[C@H]1C[C@H](CCc2c1cccc2C)CN1CCC(CC1)c1c(Cl)cccc1Cl | 14593080 | ||
| 1693 | 3527 | 15 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | Guide to Pharmacology | 417 | 3 | 1 | 2 | 6.2 | O[C@H]1C[C@H](CCc2c1cccc2C)CN1CCC(CC1)c1c(Cl)cccc1Cl | 17329552 | ||
| CHEMBL559569 | 3527 | 15 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | Guide to Pharmacology | 417 | 3 | 1 | 2 | 6.2 | O[C@H]1C[C@H](CCc2c1cccc2C)CN1CCC(CC1)c1c(Cl)cccc1Cl | 14593080 | ||
| CHEMBL559569 | 3527 | 15 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | Guide to Pharmacology | 417 | 3 | 1 | 2 | 6.2 | O[C@H]1C[C@H](CCc2c1cccc2C)CN1CCC(CC1)c1c(Cl)cccc1Cl | 17329552 | ||
| 10296561 | 1042 | 26 | None | 13182 | 3 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | 433 | 7 | 1 | 4 | 3.7 | O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1 | 16451050 | ||
| 10296561 | 1042 | 26 | None | 13182 | 3 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | 433 | 7 | 1 | 4 | 3.7 | O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1 | 19445927 | ||
| 7361 | 1042 | 26 | None | 13182 | 3 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | 433 | 7 | 1 | 4 | 3.7 | O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1 | 16451050 | ||
| 7361 | 1042 | 26 | None | 13182 | 3 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | 433 | 7 | 1 | 4 | 3.7 | O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1 | 19445927 | ||
| CHEMBL201945 | 1042 | 26 | None | 13182 | 3 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | 433 | 7 | 1 | 4 | 3.7 | O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1 | 16451050 | ||
| CHEMBL201945 | 1042 | 26 | None | 13182 | 3 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | 433 | 7 | 1 | 4 | 3.7 | O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1 | 19445927 | ||
| 10500 | 2823 | 0 | None | - | 1 | Human | 7.4 | pKB | = | 7.4 | Functional | Guide to Pharmacology | 512 | 6 | 1 | 5 | 3.8 | NC(=O)Cn1c(C(=O)N2CCOCC2)c(c2c1cccc2)CN1CCC(CC1)c1c(F)cccc1Cl | 22994368 | ||
| 24889797 | 2823 | 0 | None | - | 1 | Human | 7.4 | pKB | = | 7.4 | Functional | Guide to Pharmacology | 512 | 6 | 1 | 5 | 3.8 | NC(=O)Cn1c(C(=O)N2CCOCC2)c(c2c1cccc2)CN1CCC(CC1)c1c(F)cccc1Cl | 22994368 | ||
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Activity | Chemical information | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Similar- ity |
Common name |
GPCRdb ID |
Vendors |
Reference ligand |
Fold selectivity |
Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| CHEMBL414542 | 213136 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | None | None | None | CC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm0202021 | |||||
| 44388462 | 161851 | 0 | None | - | 0 | Human | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | 1970 | 68 | 33 | 31 | -15.2 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | |||
| CHEMBL414782 | 161851 | 0 | None | - | 0 | Human | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | 1970 | 68 | 33 | 31 | -15.2 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | |||
| CHEMBL266191 | 210677 | 0 | None | - | 1 | Human | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | None | None | None | CC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm0202021 | |||||
| 162662480 | 182053 | 0 | None | - | 0 | Human | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | 2434 | 92 | 38 | 37 | -12.5 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4781235 | 182053 | 0 | None | - | 0 | Human | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | 2434 | 92 | 38 | 37 | -12.5 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL408356 | 212706 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | None | None | None | CC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm0202021 | |||||
| 44388461 | 159838 | 0 | None | - | 0 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 1952 | 68 | 33 | 31 | -15.4 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | |||
| CHEMBL410653 | 159838 | 0 | None | - | 0 | Human | 9.9 | pEC50 | = | 9.9 | Binding | ChEMBL | 1952 | 68 | 33 | 31 | -15.4 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | |||
| CHEMBL415845 | 213202 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | None | None | None | CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm0202021 | |||||
| 44388467 | 169403 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | 1956 | 69 | 33 | 31 | -14.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | |||
| CHEMBL442297 | 169403 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | 1956 | 69 | 33 | 31 | -14.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | |||
| CHEMBL264084 | 210603 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | None | None | None | CC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O | 10.1021/jm0202021 | |||||
| 162662934 | 182025 | 0 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | 1789 | 67 | 24 | 23 | -3.0 | CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4780822 | 182025 | 0 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | 1789 | 67 | 24 | 23 | -3.0 | CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162676761 | 183514 | 0 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | 1848 | 68 | 26 | 25 | -5.3 | CCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4799815 | 183514 | 0 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | 1848 | 68 | 26 | 25 | -5.3 | CCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| 124565311 | 174068 | 0 | None | 165 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | 440 | 4 | 1 | 5 | 3.6 | CNC(=O)Cn1c(=O)n(C2CCN([C@H]3Cc4cccc5cccc3c45)CC2)c2ccccc21 | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL4544227 | 174068 | 0 | None | 165 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | 440 | 4 | 1 | 5 | 3.6 | CNC(=O)Cn1c(=O)n(C2CCN([C@H]3Cc4cccc5cccc3c45)CC2)c2ccccc21 | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL264846 | 210630 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm040106v | |||||
| 44388474 | 161040 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | 1970 | 69 | 33 | 31 | -15.0 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | |||
| CHEMBL411649 | 161040 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | 1970 | 69 | 33 | 31 | -15.0 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | |||
| 162676231 | 183324 | 0 | None | - | 0 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | 1805 | 68 | 25 | 24 | -4.0 | CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4797388 | 183324 | 0 | None | - | 0 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | 1805 | 68 | 25 | 24 | -4.0 | CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0202021 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0202021 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0202021 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0202021 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0202021 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0202021 | |||||
| 162656512 | 180905 | 0 | None | - | 0 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 1399 | 47 | 24 | 20 | -8.7 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(F)cc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4757730 | 180905 | 0 | None | - | 0 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 1399 | 47 | 24 | 20 | -8.7 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(F)cc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL410979 | 212853 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O | 10.1021/jm0202021 | |||||
| 162651080 | 180218 | 0 | None | - | 0 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 1720 | 64 | 22 | 23 | -3.2 | CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4749802 | 180218 | 0 | None | - | 0 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 1720 | 64 | 22 | 23 | -3.2 | CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162650489 | 180032 | 0 | None | - | 0 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 1876 | 70 | 26 | 25 | -4.5 | CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4747497 | 180032 | 0 | None | - | 0 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 1876 | 70 | 26 | 25 | -4.5 | CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162669053 | 182725 | 0 | None | - | 0 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 1365 | 46 | 23 | 19 | -7.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4789749 | 182725 | 0 | None | - | 0 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 1365 | 46 | 23 | 19 | -7.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL438537 | 213772 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm0202021 | |||||
| 162676138 | 183396 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 2861 | 104 | 44 | 43 | -15.5 | C[C@H](NC(=O)CCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4798159 | 183396 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 2861 | 104 | 44 | 43 | -15.5 | C[C@H](NC(=O)CCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL263588 | 210577 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm040106v | |||||
| 44388466 | 96499 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 1938 | 69 | 33 | 31 | -14.9 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | |||
| CHEMBL262544 | 96499 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 1938 | 69 | 33 | 31 | -14.9 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | |||
| CHEMBL415584 | 213190 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | None | None | None | CC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O | 10.1021/jm0202021 | |||||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm040106v | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm040106v | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm040106v | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm040106v | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm040106v | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm040106v | |||||
| 162661740 | 181842 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 2777 | 104 | 44 | 43 | -17.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4778484 | 181842 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 2777 | 104 | 44 | 43 | -17.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL406905 | 212627 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1CCCCC1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||||
| 162670125 | 182597 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 1395 | 47 | 24 | 20 | -8.4 | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4788218 | 182597 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 1395 | 47 | 24 | 20 | -8.4 | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162670701 | 182882 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 1748 | 64 | 24 | 23 | -4.1 | CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4792010 | 182882 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 1748 | 64 | 24 | 23 | -4.1 | CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| 10276738 | 172259 | 0 | None | 54 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 466 | 5 | 2 | 3 | 6.1 | NCc1ccccc1C1(O)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL4474536 | 172259 | 0 | None | 54 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 466 | 5 | 2 | 3 | 6.1 | NCc1ccccc1C1(O)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1021/acs.jmedchem.5b01499 | |||
| 162645148 | 179415 | 0 | None | - | 0 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 1904 | 72 | 26 | 25 | -3.7 | CCCCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4740203 | 179415 | 0 | None | - | 0 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 1904 | 72 | 26 | 25 | -3.7 | CCCCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL265801 | 210661 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(N)=O | 10.1021/jm010092i | |||||
| 1682 | 2850 | 18 | None | 3 | 2 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b02057 | |||||
| 6324645 | 2850 | 18 | None | 3 | 2 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b02057 | |||||
| CHEMBL384755 | 2850 | 18 | None | 3 | 2 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b02057 | |||||
| CHEMBL405212 | 212548 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N(C)C(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm0202021 | |||||
| CHEMBL439528 | 213842 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||||
| 162653778 | 180479 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 1379 | 47 | 23 | 19 | -7.5 | CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4753041 | 180479 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 1379 | 47 | 23 | 19 | -7.5 | CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162652312 | 180318 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 1324 | 43 | 23 | 19 | -8.9 | C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4751132 | 180318 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 1324 | 43 | 23 | 19 | -8.9 | C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162649797 | 180029 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 2830 | 92 | 44 | 43 | -18.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4747450 | 180029 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 2830 | 92 | 44 | 43 | -18.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162650108 | 180139 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 2101 | 80 | 29 | 34 | -12.7 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCOCCOCC(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4748849 | 180139 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 2101 | 80 | 29 | 34 | -12.7 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCOCCOCC(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 11848225 | 876 | 52 | None | -4 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/acs.jmedchem.5b01499 | |||
| 8866 | 876 | 52 | None | -4 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL2364605 | 876 | 52 | None | -4 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL3545616 | 876 | 52 | None | -4 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL3962932 | 876 | 52 | None | -4 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/acs.jmedchem.5b01499 | |||
| DB12830 | 876 | 52 | None | -4 | 7 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/acs.jmedchem.5b01499 | |||
| 162659015 | 181388 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 1395 | 47 | 24 | 20 | -8.4 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4763461 | 181388 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 1395 | 47 | 24 | 20 | -8.4 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162652312 | 180318 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 1324 | 43 | 23 | 19 | -8.9 | C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4751132 | 180318 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 1324 | 43 | 23 | 19 | -8.9 | C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL412479 | 212993 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.9b02057 | |||||
| 162661740 | 181842 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 2777 | 104 | 44 | 43 | -17.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4778484 | 181842 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 2777 | 104 | 44 | 43 | -17.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 11804490 | 181813 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 1296 | 43 | 21 | 19 | -8.1 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4778171 | 181813 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 1296 | 43 | 21 | 19 | -8.1 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL2403216 | 210415 | 0 | None | - | 0 | Rat | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | None | None | None | COc1ccc2[nH]cc([C@H](CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(N)=O)c2c1 | 10.1016/j.bmcl.2013.05.064 | |||||
| 162650108 | 180139 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 2101 | 80 | 29 | 34 | -12.7 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCOCCOCC(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4748849 | 180139 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 2101 | 80 | 29 | 34 | -12.7 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCOCCOCC(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL2403218 | 210417 | 19 | None | - | 0 | Rat | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmcl.2013.05.064 | |||||
| 11137032 | 181436 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4764102 | 181436 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 25208097 | 183920 | 3 | None | 5 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 408 | 3 | 1 | 4 | 5.6 | CC1(N2CCC(n3c([C@H]4CCCNC4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/acs.jmedchem.8b00435 | |||
| CHEMBL481366 | 183920 | 3 | None | 5 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 408 | 3 | 1 | 4 | 5.6 | CC1(N2CCC(n3c([C@H]4CCCNC4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/acs.jmedchem.8b00435 | |||
| 162661631 | 181876 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 1324 | 43 | 23 | 19 | -8.9 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4778926 | 181876 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 1324 | 43 | 23 | 19 | -8.9 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL2403216 | 210415 | 0 | None | - | 0 | Rat | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | None | None | None | COc1ccc2[nH]cc([C@H](CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(N)=O)c2c1 | 10.1016/j.bmcl.2013.05.064 | |||||
| 162676138 | 183396 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 2861 | 104 | 44 | 43 | -15.5 | C[C@H](NC(=O)CCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4798159 | 183396 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 2861 | 104 | 44 | 43 | -15.5 | C[C@H](NC(=O)CCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162650867 | 180201 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 2698 | 92 | 44 | 43 | -21.7 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4749620 | 180201 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 2698 | 92 | 44 | 43 | -21.7 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 5311327 | 180435 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4752457 | 180435 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162662934 | 182025 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 1789 | 67 | 24 | 23 | -3.0 | CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4780822 | 182025 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 1789 | 67 | 24 | 23 | -3.0 | CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162665903 | 182327 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 1421 | 47 | 24 | 20 | -7.9 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NC1(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)CCCC1 | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4784371 | 182327 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 1421 | 47 | 24 | 20 | -7.9 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NC1(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)CCCC1 | 10.1021/acs.jmedchem.9b02057 | |||
| 9905428 | 4407 | 16 | None | 21 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 326 | 2 | 0 | 2 | 4.2 | O=C1Cc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL101454 | 4407 | 16 | None | 21 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 326 | 2 | 0 | 2 | 4.2 | O=C1Cc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 | 10.1021/acs.jmedchem.5b01499 | |||
| 162659601 | 181197 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 1393 | 47 | 24 | 20 | -8.7 | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)CC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4761103 | 181197 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 1393 | 47 | 24 | 20 | -8.7 | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)CC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162646448 | 179697 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 1395 | 47 | 24 | 20 | -8.4 | C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4743726 | 179697 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 1395 | 47 | 24 | 20 | -8.4 | C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162651080 | 180218 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 1720 | 64 | 22 | 23 | -3.2 | CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4749802 | 180218 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 1720 | 64 | 22 | 23 | -3.2 | CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| 11137032 | 181436 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4764102 | 181436 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162655432 | 180679 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 1420 | 47 | 25 | 20 | -8.3 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4755353 | 180679 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 1420 | 47 | 25 | 20 | -8.3 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162655941 | 180740 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4755981 | 180740 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162648427 | 179959 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 2782 | 92 | 44 | 43 | -19.4 | C[C@H](NC(=O)CCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4746696 | 179959 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 2782 | 92 | 44 | 43 | -19.4 | C[C@H](NC(=O)CCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162676761 | 183514 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 1848 | 68 | 26 | 25 | -5.3 | CCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4799815 | 183514 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 1848 | 68 | 26 | 25 | -5.3 | CCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| 25208097 | 183920 | 3 | None | 5 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 408 | 3 | 1 | 4 | 5.6 | CC1(N2CCC(n3c([C@H]4CCCNC4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/acs.jmedchem.8b00435 | |||
| CHEMBL481366 | 183920 | 3 | None | 5 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 408 | 3 | 1 | 4 | 5.6 | CC1(N2CCC(n3c([C@H]4CCCNC4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/acs.jmedchem.8b00435 | |||
| 10832076 | 38049 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 355 | 3 | 1 | 4 | 4.8 | CC(c1ccccc1Cl)N1CCC(n2c(O)nc3ccccc32)CC1 | 10.1021/jm990517p | |||
| CHEMBL146054 | 38049 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 355 | 3 | 1 | 4 | 4.8 | CC(c1ccccc1Cl)N1CCC(n2c(O)nc3ccccc32)CC1 | 10.1021/jm990517p | |||
| 10534521 | 183049 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 1395 | 47 | 24 | 20 | -8.4 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4794113 | 183049 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 1395 | 47 | 24 | 20 | -8.4 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162650635 | 180094 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 1394 | 48 | 24 | 20 | -9.3 | C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4748275 | 180094 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 1394 | 48 | 24 | 20 | -9.3 | C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162659601 | 181197 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 1393 | 47 | 24 | 20 | -8.7 | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)CC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4761103 | 181197 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 1393 | 47 | 24 | 20 | -8.7 | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)CC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162671943 | 182932 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 1776 | 57 | 26 | 25 | -7.5 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NC2CCCCCCC2)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4792616 | 182932 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 1776 | 57 | 26 | 25 | -7.5 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NC2CCCCCCC2)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162659015 | 181388 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 1395 | 47 | 24 | 20 | -8.4 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4763461 | 181388 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 1395 | 47 | 24 | 20 | -8.4 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162673971 | 183148 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4795259 | 183148 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162669053 | 182725 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 1365 | 46 | 23 | 19 | -7.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4789749 | 182725 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 1365 | 46 | 23 | 19 | -7.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162671943 | 182932 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 1776 | 57 | 26 | 25 | -7.5 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NC2CCCCCCC2)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4792616 | 182932 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 1776 | 57 | 26 | 25 | -7.5 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NC2CCCCCCC2)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162656512 | 180905 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 1399 | 47 | 24 | 20 | -8.7 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(F)cc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4757730 | 180905 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 1399 | 47 | 24 | 20 | -8.7 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(F)cc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162670125 | 182597 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 1395 | 47 | 24 | 20 | -8.4 | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4788218 | 182597 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 1395 | 47 | 24 | 20 | -8.4 | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162676231 | 183324 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 1805 | 68 | 25 | 24 | -4.0 | CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4797388 | 183324 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 1805 | 68 | 25 | 24 | -4.0 | CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| 10763594 | 161275 | 1 | None | 120 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 401 | 2 | 1 | 3 | 4.4 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CC[C@H]3CCCc4cccc1c43)CC2 | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL412098 | 161275 | 1 | None | 120 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 401 | 2 | 1 | 3 | 4.4 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CC[C@H]3CCCc4cccc1c43)CC2 | 10.1021/acs.jmedchem.5b01499 | |||
| 15512228 | 67754 | 0 | None | 8 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(c2ccccc2)C12CCN([C@H]1Cc3cccc4cccc1c34)CC2 | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL1907858 | 67754 | 0 | None | 8 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(c2ccccc2)C12CCN([C@H]1Cc3cccc4cccc1c34)CC2 | 10.1021/acs.jmedchem.5b01499 | |||
| 162661152 | 181523 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4765138 | 181523 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162649797 | 180029 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 2830 | 92 | 44 | 43 | -18.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4747450 | 180029 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 2830 | 92 | 44 | 43 | -18.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162648962 | 179788 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 1395 | 47 | 24 | 20 | -8.4 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4744757 | 179788 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 1395 | 47 | 24 | 20 | -8.4 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162657281 | 180972 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4758592 | 180972 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162655941 | 180740 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4755981 | 180740 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL414541 | 213135 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N(C)C(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O | 10.1021/jm0202021 | |||||
| 162653778 | 180479 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 1379 | 47 | 23 | 19 | -7.5 | CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4753041 | 180479 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 1379 | 47 | 23 | 19 | -7.5 | CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL413429 | 213065 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||||
| 155544763 | 173354 | 0 | None | 7 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 386 | 2 | 0 | 2 | 5.0 | O=C1Cc2ccccc2N1C1CCN([C@@H]2CC[C@H]3CCCc4cccc2c43)CC1 | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL4527189 | 173354 | 0 | None | 7 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 386 | 2 | 0 | 2 | 5.0 | O=C1Cc2ccccc2N1C1CCN([C@@H]2CC[C@H]3CCCc4cccc2c43)CC1 | 10.1021/acs.jmedchem.5b01499 | |||
| 162645845 | 179673 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 2032 | 78 | 28 | 27 | -4.9 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCCCCCCCCCCC(=O)NCCCCCCCCCCC(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4743479 | 179673 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 2032 | 78 | 28 | 27 | -4.9 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCCCCCCCCCCC(=O)NCCCCCCCCCCC(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 11804490 | 181813 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 1296 | 43 | 21 | 19 | -8.1 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4778171 | 181813 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 1296 | 43 | 21 | 19 | -8.1 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162650867 | 180201 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 2698 | 92 | 44 | 43 | -21.7 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4749620 | 180201 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 2698 | 92 | 44 | 43 | -21.7 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162658205 | 181127 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4760586 | 181127 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162645845 | 179673 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 2032 | 78 | 28 | 27 | -4.9 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCCCCCCCCCCC(=O)NCCCCCCCCCCC(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4743479 | 179673 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 2032 | 78 | 28 | 27 | -4.9 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCCCCCCCCCCC(=O)NCCCCCCCCCCC(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL406905 | 212627 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1CCCCC1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||||
| CHEMBL414767 | 213152 | 0 | None | 154 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm040106v | |||||
| CHEMBL436732 | 213685 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O | 10.1021/jm0202021 | |||||
| 162657281 | 180972 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4758592 | 180972 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL413944 | 213101 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm040106v | |||||
| 10593778 | 99240 | 0 | None | 10 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 347 | 2 | 1 | 3 | 2.6 | O=C1NCN(c2ccccc2)C12CCN(C1Cc3ccccc3C1)CC2 | 10.1021/jm991129q | |||
| CHEMBL28172 | 99240 | 0 | None | 10 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 347 | 2 | 1 | 3 | 2.6 | O=C1NCN(c2ccccc2)C12CCN(C1Cc3ccccc3C1)CC2 | 10.1021/jm991129q | |||
| 1682 | 2850 | 18 | None | - | 2 | Rat | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.05.064 | |||||
| 6324645 | 2850 | 18 | None | - | 2 | Rat | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.05.064 | |||||
| CHEMBL384755 | 2850 | 18 | None | - | 2 | Rat | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2013.05.064 | |||||
| CHEMBL414543 | 213137 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N(C)C(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm0202021 | |||||
| 5311327 | 180435 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4752457 | 180435 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162650489 | 180032 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 1876 | 70 | 26 | 25 | -4.5 | CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4747497 | 180032 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 1876 | 70 | 26 | 25 | -4.5 | CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162670701 | 182882 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 1748 | 64 | 24 | 23 | -4.1 | CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4792010 | 182882 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 1748 | 64 | 24 | 23 | -4.1 | CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162672438 | 183225 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 2215 | 89 | 29 | 28 | -2.3 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)NCCCCCCCCCCC(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4796153 | 183225 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 2215 | 89 | 29 | 28 | -2.3 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)NCCCCCCCCCCC(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162662480 | 182053 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 2434 | 92 | 38 | 37 | -12.5 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4781235 | 182053 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 2434 | 92 | 38 | 37 | -12.5 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162665903 | 182327 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 1421 | 47 | 24 | 20 | -7.9 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NC1(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)CCCC1 | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4784371 | 182327 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 1421 | 47 | 24 | 20 | -7.9 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NC1(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O)CCCC1 | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL2403218 | 210417 | 19 | None | - | 0 | Rat | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmcl.2013.05.064 | |||||
| 162648962 | 179788 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 1395 | 47 | 24 | 20 | -8.4 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4744757 | 179788 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 1395 | 47 | 24 | 20 | -8.4 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162672438 | 183225 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 2215 | 89 | 29 | 28 | -2.3 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)NCCCCCCCCCCC(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4796153 | 183225 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 2215 | 89 | 29 | 28 | -2.3 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC1CC(=O)N(CCCC(=O)NCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)NCCCCCCCCCCC(N)=O)C1=O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL412479 | 212993 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.9b02057 | |||||
| 162645148 | 179415 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 1904 | 72 | 26 | 25 | -3.7 | CCCCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4740203 | 179415 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 1904 | 72 | 26 | 25 | -3.7 | CCCCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O | 10.1021/acs.jmedchem.9b02057 | |||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm991129q | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm991129q | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm991129q | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm991129q | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm991129q | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm991129q | |||||
| 162655432 | 180679 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 1420 | 47 | 25 | 20 | -8.3 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4755353 | 180679 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 1420 | 47 | 25 | 20 | -8.3 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 10534521 | 183049 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 1395 | 47 | 24 | 20 | -8.4 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4794113 | 183049 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 1395 | 47 | 24 | 20 | -8.4 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 416359 | 101858 | 21 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 307 | 3 | 1 | 4 | 3.6 | Oc1nc2ccccc2n1C1CCN(Cc2ccccc2)CC1 | 10.1021/jm990517p | |||
| CHEMBL300616 | 101858 | 21 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 307 | 3 | 1 | 4 | 3.6 | Oc1nc2ccccc2n1C1CCN(Cc2ccccc2)CC1 | 10.1021/jm990517p | |||
| 162661631 | 181876 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 1324 | 43 | 23 | 19 | -8.9 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4778926 | 181876 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 1324 | 43 | 23 | 19 | -8.9 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162671290 | 182826 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 2914 | 92 | 44 | 43 | -16.5 | C[C@H](NC(=O)CCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4791156 | 182826 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 2914 | 92 | 44 | 43 | -16.5 | C[C@H](NC(=O)CCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162673058 | 183124 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 1421 | 47 | 24 | 20 | -7.9 | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)CCCC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4795008 | 183124 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 1421 | 47 | 24 | 20 | -7.9 | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)CCCC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162673058 | 183124 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 1421 | 47 | 24 | 20 | -7.9 | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)CCCC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4795008 | 183124 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 1421 | 47 | 24 | 20 | -7.9 | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C1(NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)CCCC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162661152 | 181523 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4765138 | 181523 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162645528 | 179632 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 1351 | 46 | 23 | 19 | -8.2 | C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4742892 | 179632 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 1351 | 46 | 23 | 19 | -8.2 | C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162645528 | 179632 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1351 | 46 | 23 | 19 | -8.2 | C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4742892 | 179632 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1351 | 46 | 23 | 19 | -8.2 | C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 11583008 | 175861 | 5 | None | 213 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 439 | 4 | 1 | 4 | 5.4 | OC1(c2ncccn2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL4585935 | 175861 | 5 | None | 213 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 439 | 4 | 1 | 4 | 5.4 | OC1(c2ncccn2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1021/acs.jmedchem.5b01499 | |||
| 162646448 | 179697 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1395 | 47 | 24 | 20 | -8.4 | C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4743726 | 179697 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1395 | 47 | 24 | 20 | -8.4 | C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 1682 | 2850 | 18 | None | 3 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b02057 | |||||
| 6324645 | 2850 | 18 | None | 3 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b02057 | |||||
| CHEMBL384755 | 2850 | 18 | None | 3 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b02057 | |||||
| CHEMBL410396 | 212816 | 17 | None | 1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||||
| 162650635 | 180094 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 1394 | 48 | 24 | 20 | -9.3 | C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4748275 | 180094 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 1394 | 48 | 24 | 20 | -9.3 | C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162671290 | 182826 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 2914 | 92 | 44 | 43 | -16.5 | C[C@H](NC(=O)CCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4791156 | 182826 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 2914 | 92 | 44 | 43 | -16.5 | C[C@H](NC(=O)CCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162673971 | 183148 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4795259 | 183148 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162648427 | 179959 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 2782 | 92 | 44 | 43 | -19.4 | C[C@H](NC(=O)CCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4746696 | 179959 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 2782 | 92 | 44 | 43 | -19.4 | C[C@H](NC(=O)CCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(N)=O)C1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL429239 | 213516 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||||
| CHEMBL427617 | 213354 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N(C)C(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O | 10.1021/jm0202021 | |||||
| 162658205 | 181127 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4760586 | 181127 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 1381 | 47 | 24 | 20 | -8.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 24882570 | 115129 | 0 | None | - | 1 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 981 | 32 | 16 | 12 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2014.09.018 | |||
| CHEMBL3343946 | 115129 | 0 | None | - | 1 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 981 | 32 | 16 | 12 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2014.09.018 | |||
| CHEMBL3343947 | 115129 | 0 | None | - | 1 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 981 | 32 | 16 | 12 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2014.09.018 | |||
| CHEMBL414736 | 213150 | 0 | None | - | 0 | Human | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmcl.2006.06.060 | |||||
| 101354795 | 115131 | 0 | None | - | 0 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 967 | 31 | 16 | 12 | -1.4 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2014.09.018 | |||
| CHEMBL3343949 | 115131 | 0 | None | - | 0 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 967 | 31 | 16 | 12 | -1.4 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2014.09.018 | |||
| 44416445 | 169350 | 0 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 1847 | 62 | 28 | 25 | -8.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CNC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmcl.2006.06.060 | |||
| CHEMBL441930 | 169350 | 0 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 1847 | 62 | 28 | 25 | -8.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CNC(=O)CNC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmcl.2006.06.060 | |||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| CHEMBL443591 | 213924 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC1=O | 10.1021/jm010092i | |||||
| CHEMBL511107 | 215591 | 0 | None | - | 0 | Rat | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| 16143911 | 467 | 16 | None | - | 1 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| 1689 | 467 | 16 | None | - | 1 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| CHEMBL505874 | 467 | 16 | None | - | 1 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| CHEMBL506825 | 214211 | 0 | None | - | 0 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| 16143911 | 467 | 16 | None | - | 1 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.06.015 | |||||
| 1689 | 467 | 16 | None | - | 1 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.06.015 | |||||
| CHEMBL505874 | 467 | 16 | None | - | 1 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.06.015 | |||||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 11511090 | 74051 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 431 | 7 | 1 | 3 | 4.1 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@H]1CCCN1Cc1ccccc1 | 10.1021/jm0509851 | |||
| CHEMBL202225 | 74051 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 431 | 7 | 1 | 3 | 4.1 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@H]1CCCN1Cc1ccccc1 | 10.1021/jm0509851 | |||
| 16131448 | 2847 | 28 | None | -1 | 6 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1681 | 2847 | 28 | None | -1 | 6 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1688 | 2847 | 28 | None | -1 | 6 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 44361543 | 2847 | 28 | None | -1 | 6 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 56947112 | 2847 | 28 | None | -1 | 6 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| CHEMBL396460 | 2847 | 28 | None | -1 | 6 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 16131448 | 2847 | 28 | None | -1 | 6 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1681 | 2847 | 28 | None | -1 | 6 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1688 | 2847 | 28 | None | -1 | 6 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 44361543 | 2847 | 28 | None | -1 | 6 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 56947112 | 2847 | 28 | None | -1 | 6 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| CHEMBL396460 | 2847 | 28 | None | -1 | 6 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| CHEMBL556388 | 215733 | 0 | None | - | 0 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.06.015 | |||||
| CHEMBL559130 | 215741 | 0 | None | - | 0 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.06.015 | |||||
| 10296561 | 1042 | 26 | None | 23 | 2 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 433 | 7 | 1 | 4 | 3.7 | O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1 | 10.1021/jm0509851 | |||
| 7361 | 1042 | 26 | None | 23 | 2 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 433 | 7 | 1 | 4 | 3.7 | O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1 | 10.1021/jm0509851 | |||
| CHEMBL201945 | 1042 | 26 | None | 23 | 2 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 433 | 7 | 1 | 4 | 3.7 | O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1 | 10.1021/jm0509851 | |||
| CHEMBL507847 | 214555 | 0 | None | - | 0 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| CHEMBL265801 | 210661 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(N)=O | 10.1021/jm010092i | |||||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2013.03.016 | |||||
| CHEMBL555757 | 215730 | 0 | None | - | 0 | Rat | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.06.015 | |||||
| CHEMBL526333 | 215678 | 0 | None | - | 0 | Rat | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| CHEMBL558807 | 215740 | 0 | None | - | 0 | Rat | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.06.015 | |||||
| CHEMBL500773 | 214125 | 0 | None | - | 0 | Rat | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| 1682 | 2850 | 18 | None | 3 | 2 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010092i | |||||
| 6324645 | 2850 | 18 | None | 3 | 2 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010092i | |||||
| CHEMBL384755 | 2850 | 18 | None | 3 | 2 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010092i | |||||
| CHEMBL503512 | 214167 | 0 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| CHEMBL504587 | 214179 | 0 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| CHEMBL505632 | 214193 | 0 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| CHEMBL504587 | 214179 | 0 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.06.015 | |||||
| CHEMBL505824 | 214195 | 0 | None | - | 0 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| 16131448 | 2847 | 28 | None | -1 | 6 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1681 | 2847 | 28 | None | -1 | 6 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1688 | 2847 | 28 | None | -1 | 6 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 44361543 | 2847 | 28 | None | -1 | 6 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 56947112 | 2847 | 28 | None | -1 | 6 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| CHEMBL396460 | 2847 | 28 | None | -1 | 6 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| CHEMBL406718 | 212615 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(N)=O | 10.1021/jm010092i | |||||
| CHEMBL504872 | 214183 | 0 | None | - | 0 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| 44143431 | 178504 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 417 | 5 | 1 | 5 | 4.7 | Cc1ncc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2-c2ncccc2Cl)cc1F | 10.1016/j.bmcl.2009.06.051 | |||
| CHEMBL466648 | 178504 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 417 | 5 | 1 | 5 | 4.7 | Cc1ncc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2-c2ncccc2Cl)cc1F | 10.1016/j.bmcl.2009.06.051 | |||
| 44143431 | 178504 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 417 | 5 | 1 | 5 | 4.7 | Cc1ncc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2-c2ncccc2Cl)cc1F | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL466648 | 178504 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 417 | 5 | 1 | 5 | 4.7 | Cc1ncc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2-c2ncccc2Cl)cc1F | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL437915 | 213737 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O | 10.1021/jm010092i | |||||
| CHEMBL499157 | 214089 | 0 | None | - | 0 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| 16131448 | 2847 | 28 | None | -1 | 6 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1681 | 2847 | 28 | None | -1 | 6 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1688 | 2847 | 28 | None | -1 | 6 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 44361543 | 2847 | 28 | None | -1 | 6 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 56947112 | 2847 | 28 | None | -1 | 6 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| CHEMBL396460 | 2847 | 28 | None | -1 | 6 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.11.043 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.11.043 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.11.043 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.11.043 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.11.043 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.11.043 | |||||
| 155569742 | 176650 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 415 | 6 | 1 | 5 | 3.6 | O=c1n(CCF)c2ccccc2n1[C@H]1CCN(C[C@H]2CCCCC23CC3)C[C@@H]1CO | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL4454908 | 176650 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 415 | 6 | 1 | 5 | 3.6 | O=c1n(CCF)c2ccccc2n1[C@H]1CCN(C[C@H]2CCCCC23CC3)C[C@@H]1CO | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL4598052 | 176650 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 415 | 6 | 1 | 5 | 3.6 | O=c1n(CCF)c2ccccc2n1[C@H]1CCN(C[C@H]2CCCCC23CC3)C[C@@H]1CO | 10.1021/acs.jmedchem.5b01499 | |||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| 16131448 | 2847 | 28 | None | -1 | 6 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1681 | 2847 | 28 | None | -1 | 6 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1688 | 2847 | 28 | None | -1 | 6 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 44361543 | 2847 | 28 | None | -1 | 6 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 56947112 | 2847 | 28 | None | -1 | 6 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| CHEMBL396460 | 2847 | 28 | None | -1 | 6 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 44456296 | 97718 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 909 | 31 | 15 | 11 | -2.1 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC=O)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | |||
| CHEMBL271478 | 97718 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 909 | 31 | 15 | 11 | -2.1 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC=O)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | |||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 16131448 | 2847 | 28 | None | -1 | 6 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| 1681 | 2847 | 28 | None | -1 | 6 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| 1688 | 2847 | 28 | None | -1 | 6 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| 44361543 | 2847 | 28 | None | -1 | 6 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| 56947112 | 2847 | 28 | None | -1 | 6 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| CHEMBL396460 | 2847 | 28 | None | -1 | 6 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| 1679 | 268 | 24 | None | 1 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.06.060 | |||||
| 9963005 | 268 | 24 | None | 1 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.06.060 | |||||
| CHEMBL437723 | 268 | 24 | None | 1 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.06.060 | |||||
| 44416444 | 161590 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 1604 | 53 | 23 | 20 | -3.6 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmcl.2006.06.060 | |||
| CHEMBL412939 | 161590 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 1604 | 53 | 23 | 20 | -3.6 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmcl.2006.06.060 | |||
| 1679 | 268 | 24 | None | 1 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.11.043 | |||||
| 9963005 | 268 | 24 | None | 1 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.11.043 | |||||
| CHEMBL437723 | 268 | 24 | None | 1 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.11.043 | |||||
| 44143437 | 178633 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 432 | 5 | 2 | 5 | 4.3 | CCN1CCN(c2cc3[nH]c(C(=O)[C@]4(CC)CC[C@@](C)(O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.023 | |||
| CHEMBL467533 | 178633 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 432 | 5 | 2 | 5 | 4.3 | CCN1CCN(c2cc3[nH]c(C(=O)[C@]4(CC)CC[C@@](C)(O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.023 | |||
| 16131448 | 2847 | 28 | None | -1 | 6 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1681 | 2847 | 28 | None | -1 | 6 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1688 | 2847 | 28 | None | -1 | 6 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 44361543 | 2847 | 28 | None | -1 | 6 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 56947112 | 2847 | 28 | None | -1 | 6 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| CHEMBL396460 | 2847 | 28 | None | -1 | 6 | Rat | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 44143433 | 178564 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 463 | 5 | 1 | 5 | 4.6 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](N(C)C(C)=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.023 | |||
| CHEMBL467057 | 178564 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 463 | 5 | 1 | 5 | 4.6 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](N(C)C(C)=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.023 | |||
| 44143433 | 178564 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 463 | 5 | 1 | 5 | 4.6 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](N(C)C(C)=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL467057 | 178564 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 463 | 5 | 1 | 5 | 4.6 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](N(C)C(C)=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL269029 | 210773 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010092i | |||||
| 16131448 | 2847 | 28 | None | -1 | 6 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1681 | 2847 | 28 | None | -1 | 6 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1688 | 2847 | 28 | None | -1 | 6 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 44361543 | 2847 | 28 | None | -1 | 6 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 56947112 | 2847 | 28 | None | -1 | 6 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| CHEMBL396460 | 2847 | 28 | None | -1 | 6 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 45273531 | 194919 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 348 | 5 | 1 | 4 | 4.3 | Cc1ncc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2C(C)C)cc1F | 10.1016/j.bmcl.2009.06.051 | |||
| CHEMBL541511 | 194919 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 348 | 5 | 1 | 4 | 4.3 | Cc1ncc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2C(C)C)cc1F | 10.1016/j.bmcl.2009.06.051 | |||
| CHEMBL504461 | 214176 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| 72548703 | 161565 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | |||
| CHEMBL4128926 | 161565 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | |||
| 44143451 | 178713 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 449 | 5 | 2 | 5 | 4.1 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](C(=O)NC)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL468315 | 178713 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 449 | 5 | 2 | 5 | 4.1 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](C(=O)NC)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL505873 | 214197 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| CHEMBL525604 | 215655 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| 16131448 | 2847 | 28 | None | -1 | 6 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1681 | 2847 | 28 | None | -1 | 6 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1688 | 2847 | 28 | None | -1 | 6 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 44361543 | 2847 | 28 | None | -1 | 6 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 56947112 | 2847 | 28 | None | -1 | 6 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| CHEMBL396460 | 2847 | 28 | None | -1 | 6 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1679 | 268 | 24 | None | 1 | 2 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| 9963005 | 268 | 24 | None | 1 | 2 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| CHEMBL437723 | 268 | 24 | None | 1 | 2 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| 44143456 | 178593 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 460 | 5 | 1 | 7 | 5.0 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](c5nnco5)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL467279 | 178593 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 460 | 5 | 1 | 7 | 5.0 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](c5nnco5)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| 44576628 | 187725 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 382 | 4 | 2 | 5 | 3.6 | C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl | 10.1016/j.bmcl.2008.04.037 | |||
| CHEMBL495402 | 187725 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 382 | 4 | 2 | 5 | 3.6 | C[C@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl | 10.1016/j.bmcl.2008.04.037 | |||
| 44143430 | 189385 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.8 | Cc1ncc(-c2c(C)c(CNC3CCCC3)nn2-c2ncccc2Cl)cc1F | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL512975 | 189385 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.8 | Cc1ncc(-c2c(C)c(CNC3CCCC3)nn2-c2ncccc2Cl)cc1F | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL504540 | 214178 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| CHEMBL524339 | 215602 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| CHEMBL524873 | 215624 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| 24857820 | 96683 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 396 | 7 | 2 | 5 | 4.0 | CCC(C)(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL263918 | 96683 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 396 | 7 | 2 | 5 | 4.0 | CCC(C)(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| 24857820 | 96683 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 396 | 7 | 2 | 5 | 4.0 | CCC(C)(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.037 | |||
| CHEMBL263918 | 96683 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 396 | 7 | 2 | 5 | 4.0 | CCC(C)(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.037 | |||
| CHEMBL389521 | 212425 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2016.11.014 | |||||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.03.006 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.03.006 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.03.006 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.03.006 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.03.006 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2016.03.006 | |||||
| 118717442 | 115130 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 953 | 31 | 16 | 12 | -1.6 | CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC | 10.1016/j.bmc.2014.09.018 | |||
| CHEMBL3343948 | 115130 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 953 | 31 | 16 | 12 | -1.6 | CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC | 10.1016/j.bmc.2014.09.018 | |||
| 9823363 | 178465 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 418 | 4 | 2 | 5 | 3.9 | CCN1CCN(c2cc3[nH]c(C(=O)[C@]4(C)CC[C@@](C)(O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.023 | |||
| CHEMBL466308 | 178465 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 418 | 4 | 2 | 5 | 3.9 | CCN1CCN(c2cc3[nH]c(C(=O)[C@]4(C)CC[C@@](C)(O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.023 | |||
| 45273546 | 195773 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 353 | 6 | 1 | 4 | 3.5 | COCc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.051 | |||
| CHEMBL557721 | 195773 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 353 | 6 | 1 | 4 | 3.5 | COCc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.051 | |||
| 44143450 | 188815 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 5 | 1 | 5 | 4.8 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](N5CCCC5=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL506207 | 188815 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 5 | 1 | 5 | 4.8 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](N5CCCC5=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| 45269358 | 196189 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 427 | 6 | 1 | 5 | 5.4 | Cc1ccc(-n2c(-c3ncccc3Cl)nc(CN[C@H]3CC[C@@H](F)C3)c2C(C)C)cn1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL561397 | 196189 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 427 | 6 | 1 | 5 | 5.4 | Cc1ccc(-n2c(-c3ncccc3Cl)nc(CN[C@H]3CC[C@@H](F)C3)c2C(C)C)cn1 | 10.1016/j.bmcl.2009.06.095 | |||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
| CHEMBL526352 | 215680 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| 101354795 | 115131 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 967 | 31 | 16 | 12 | -1.4 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2014.09.018 | |||
| CHEMBL3343949 | 115131 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 967 | 31 | 16 | 12 | -1.4 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2014.09.018 | |||
| 44143455 | 178458 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 474 | 5 | 1 | 7 | 5.3 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](c5nc(C)no5)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL466252 | 178458 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 474 | 5 | 1 | 7 | 5.3 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](c5nc(C)no5)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| 44456220 | 155437 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 937 | 31 | 15 | 11 | -1.3 | CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC | 10.1016/j.bmc.2007.11.043 | |||
| CHEMBL403807 | 155437 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 937 | 31 | 15 | 11 | -1.3 | CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC | 10.1016/j.bmc.2007.11.043 | |||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | |||||
| 44450085 | 96682 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 408 | 5 | 2 | 5 | 4.1 | CC1(Sc2nc3cc(Cl)c(N4CCN(CCO)CC4)cc3[nH]2)CCCCC1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL263917 | 96682 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 408 | 5 | 2 | 5 | 4.1 | CC1(Sc2nc3cc(Cl)c(N4CCN(CCO)CC4)cc3[nH]2)CCCCC1 | 10.1016/j.bmcl.2008.04.054 | |||
| 44143457 | 178594 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 474 | 5 | 1 | 7 | 5.3 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](c5nnc(C)o5)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL467280 | 178594 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 474 | 5 | 1 | 7 | 5.3 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](c5nnc(C)o5)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| 44456185 | 166619 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 951 | 32 | 15 | 11 | -0.9 | CCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC | 10.1016/j.bmc.2007.11.043 | |||
| CHEMBL428076 | 166619 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 951 | 32 | 15 | 11 | -0.9 | CCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC | 10.1016/j.bmc.2007.11.043 | |||
| 44143448 | 178655 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 449 | 5 | 2 | 5 | 4.3 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](NC(C)=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL467677 | 178655 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 449 | 5 | 2 | 5 | 4.3 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](NC(C)=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| 44189735 | 14021 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 425 | 6 | 2 | 6 | 2.6 | O=c1n(C[C@H](O)CO)c2ccccc2n1C1CCN(C[C@H]2[C@H]3CC[C@H](C3)C23CC3)CC1 | 10.1021/jm900581g | |||
| CHEMBL1197249 | 14021 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 425 | 6 | 2 | 6 | 2.6 | O=c1n(C[C@H](O)CO)c2ccccc2n1C1CCN(C[C@H]2[C@H]3CC[C@H](C3)C23CC3)CC1 | 10.1021/jm900581g | |||
| CHEMBL563980 | 14021 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 425 | 6 | 2 | 6 | 2.6 | O=c1n(C[C@H](O)CO)c2ccccc2n1C1CCN(C[C@H]2[C@H]3CC[C@H](C3)C23CC3)CC1 | 10.1021/jm900581g | |||
| 11619553 | 161718 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 424 | 6 | 1 | 2 | 5.5 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1-c1ccccc1 | 10.1021/jm0509851 | |||
| CHEMBL413571 | 161718 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 424 | 6 | 1 | 2 | 5.5 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1-c1ccccc1 | 10.1021/jm0509851 | |||
| 22272974 | 96676 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 366 | 6 | 1 | 4 | 4.6 | CCC(CC)Sc1nc2cc(Cl)c(N3CCN(CC)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL263903 | 96676 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 366 | 6 | 1 | 4 | 4.6 | CCC(CC)Sc1nc2cc(Cl)c(N3CCN(CC)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| 15982795 | 72149 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 426 | 4 | 0 | 4 | 4.4 | COC(=O)CN1C(=O)C2(CCN(CC3CCC(C(C)(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL197942 | 72149 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 426 | 4 | 0 | 4 | 4.4 | COC(=O)CN1C(=O)C2(CCN(CC3CCC(C(C)(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| 44404679 | 168432 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 398 | 4 | 0 | 4 | 3.9 | COC(=O)CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL434944 | 168432 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 398 | 4 | 0 | 4 | 3.9 | COC(=O)CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| 44406497 | 136006 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 439 | 3 | 2 | 4 | 3.9 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1ccc(Cl)cc1)CC2 | 10.1016/j.bmcl.2005.09.067 | |||
| CHEMBL373170 | 136006 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 439 | 3 | 2 | 4 | 3.9 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1ccc(Cl)cc1)CC2 | 10.1016/j.bmcl.2005.09.067 | |||
| 44406604 | 140619 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 419 | 3 | 2 | 4 | 3.6 | Cc1ccccc1[C@]1(O)CCCC[C@H]1N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2005.09.067 | |||
| CHEMBL381419 | 140619 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 419 | 3 | 2 | 4 | 3.6 | Cc1ccccc1[C@]1(O)CCCC[C@H]1N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2005.09.067 | |||
| 44406603 | 166061 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 423 | 3 | 2 | 4 | 3.4 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1ccc(F)cc1)CC2 | 10.1016/j.bmcl.2005.09.067 | |||
| CHEMBL425753 | 166061 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 423 | 3 | 2 | 4 | 3.4 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1ccc(F)cc1)CC2 | 10.1016/j.bmcl.2005.09.067 | |||
| 15982659 | 72297 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 440 | 5 | 0 | 4 | 4.4 | COC(=O)CN1C(=O)C2(CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL198322 | 72297 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 440 | 5 | 0 | 4 | 4.4 | COC(=O)CN1C(=O)C2(CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| 44404706 | 135201 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 378 | 4 | 0 | 4 | 3.3 | COC(=O)CN1C(=O)C2(CCN(C(C)c3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL372135 | 135201 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 378 | 4 | 0 | 4 | 3.3 | COC(=O)CN1C(=O)C2(CCN(C(C)c3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| 15983065 | 135359 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 446 | 5 | 0 | 5 | 4.5 | COC(=O)CN1C(=O)C2(CCN(Cc3ccccc3-c3ccsc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL372779 | 135359 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 446 | 5 | 0 | 5 | 4.5 | COC(=O)CN1C(=O)C2(CCN(Cc3ccccc3-c3ccsc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| 15982796 | 140891 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 442 | 12 | 0 | 4 | 5.3 | CCCCCCC(CCCC)CN1CCC2(CC1)C(=O)N(CC(=O)OC)c1ccccc12 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL382086 | 140891 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 442 | 12 | 0 | 4 | 5.3 | CCCCCCC(CCCC)CN1CCC2(CC1)C(=O)N(CC(=O)OC)c1ccccc12 | 10.1016/j.bmcl.2005.08.009 | |||
| 44406587 | 72845 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 473 | 3 | 2 | 4 | 4.6 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1ccc(Cl)c(Cl)c1)CC2 | 10.1016/j.bmcl.2005.09.067 | |||
| CHEMBL200227 | 72845 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 473 | 3 | 2 | 4 | 4.6 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1ccc(Cl)c(Cl)c1)CC2 | 10.1016/j.bmcl.2005.09.067 | |||
| 44406503 | 168648 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 441 | 3 | 2 | 4 | 3.5 | O=C1NCN(c2ccc(F)cc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1ccc(F)cc1)CC2 | 10.1016/j.bmcl.2005.09.067 | |||
| CHEMBL436295 | 168648 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 441 | 3 | 2 | 4 | 3.5 | O=C1NCN(c2ccc(F)cc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1ccc(F)cc1)CC2 | 10.1016/j.bmcl.2005.09.067 | |||
| 44406543 | 135257 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 457 | 3 | 2 | 4 | 4.0 | O=C1NCN(c2ccc(F)cc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1ccc(Cl)cc1)CC2 | 10.1016/j.bmcl.2005.09.067 | |||
| CHEMBL372567 | 135257 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 457 | 3 | 2 | 4 | 4.0 | O=C1NCN(c2ccc(F)cc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1ccc(Cl)cc1)CC2 | 10.1016/j.bmcl.2005.09.067 | |||
| 44404711 | 133011 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 3 | 0 | 4 | 3.1 | COC(=O)CN1C(=O)C2(CCN(C3CCc4ccccc4C3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL370226 | 133011 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 404 | 3 | 0 | 4 | 3.1 | COC(=O)CN1C(=O)C2(CCN(C3CCc4ccccc4C3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| 44143418 | 187237 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 401 | 5 | 1 | 5 | 5.0 | Cc1c(CNC2CCCC2)nn(-c2ncccc2Cl)c1-c1ccc(Cl)nc1 | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL492585 | 187237 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 401 | 5 | 1 | 5 | 5.0 | Cc1c(CNC2CCCC2)nn(-c2ncccc2Cl)c1-c1ccc(Cl)nc1 | 10.1016/j.bmcl.2009.04.116 | |||
| 45271041 | 196382 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 331 | 5 | 1 | 3 | 5.1 | Cc1nc(CNC2CCCC2)n(C(C)C)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL562663 | 196382 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 331 | 5 | 1 | 3 | 5.1 | Cc1nc(CNC2CCCC2)n(C(C)C)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL404792 | 212531 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O | 10.1016/j.bmcl.2006.06.060 | |||||
| 52915518 | 60575 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 511 | 13 | 4 | 6 | 5.6 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCN)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1760025 | 60575 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 511 | 13 | 4 | 6 | 5.6 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCN)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 52915270 | 60933 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 468 | 10 | 3 | 5 | 5.8 | CCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762398 | 60933 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 468 | 10 | 3 | 5 | 5.8 | CCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| 15982938 | 133516 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 454 | 4 | 0 | 4 | 5.5 | COC(=O)CN1C(=O)C2(CCN(CC3CCCCCCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL370782 | 133516 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 454 | 4 | 0 | 4 | 5.5 | COC(=O)CN1C(=O)C2(CCN(CC3CCCCCCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| 52916471 | 60913 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 930 | 21 | 4 | 10 | 12.1 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(/C=N/CCCCCCCC/N=C/c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762378 | 60913 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 930 | 21 | 4 | 10 | 12.1 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(/C=N/CCCCCCCC/N=C/c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 52916266 | 60947 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 412 | 6 | 3 | 5 | 4.4 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CN)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762412 | 60947 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 412 | 6 | 3 | 5 | 4.4 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CN)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 11633324 | 72676 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 392 | 7 | 2 | 3 | 3.1 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@@H](O)Cc1ccccc1 | 10.1021/jm0509851 | |||
| CHEMBL199639 | 72676 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 392 | 7 | 2 | 3 | 3.1 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@@H](O)Cc1ccccc1 | 10.1021/jm0509851 | |||
| 11619363 | 74436 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 452 | 7 | 1 | 3 | 5.0 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1C(=O)c1ccccc1 | 10.1021/jm0509851 | |||
| CHEMBL202715 | 74436 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 452 | 7 | 1 | 3 | 5.0 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1C(=O)c1ccccc1 | 10.1021/jm0509851 | |||
| 45273547 | 195794 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 365 | 6 | 1 | 4 | 3.7 | CC(=O)Cn1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.051 | |||
| CHEMBL557925 | 195794 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 365 | 6 | 1 | 4 | 3.7 | CC(=O)Cn1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.051 | |||
| 15982661 | 133440 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 512 | 9 | 2 | 6 | 3.0 | O=C1N(CC(O)CNCCN2CCOCC2)c2ccccc2C12CCN(CC1CCCCCCC1)CC2 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL370613 | 133440 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 512 | 9 | 2 | 6 | 3.0 | O=C1N(CC(O)CNCCN2CCOCC2)c2ccccc2C12CCN(CC1CCCCCCC1)CC2 | 10.1016/j.bmcl.2005.08.009 | |||
| 44404670 | 135205 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 416 | 4 | 0 | 2 | 5.9 | O=C1N(Cc2ccccc2)c2ccccc2C12CCN(CC1CCCCCCC1)CC2 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL372184 | 135205 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 416 | 4 | 0 | 2 | 5.9 | O=C1N(Cc2ccccc2)c2ccccc2C12CCN(CC1CCCCCCC1)CC2 | 10.1016/j.bmcl.2005.08.009 | |||
| 22273116 | 96677 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 354 | 5 | 2 | 5 | 2.8 | CC(C)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL263904 | 96677 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 354 | 5 | 2 | 5 | 2.8 | CC(C)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| 136043786 | 77370 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 421 | 5 | 1 | 5 | 4.4 | CN1CCN(c2cccc3[nH]c(-c4nc(CCc5ccc(Cl)cc5)no4)cc23)CC1 | 10.1016/j.bmcl.2006.03.086 | |||
| CHEMBL208602 | 77370 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 421 | 5 | 1 | 5 | 4.4 | CN1CCN(c2cccc3[nH]c(-c4nc(CCc5ccc(Cl)cc5)no4)cc23)CC1 | 10.1016/j.bmcl.2006.03.086 | |||
| 52915390 | 60935 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 496 | 12 | 3 | 5 | 6.6 | CCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762400 | 60935 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 496 | 12 | 3 | 5 | 6.6 | CCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL405948 | 212585 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010092i | |||||
| 44143422 | 187523 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 381 | 5 | 1 | 5 | 4.6 | Cc1cncc(-c2c(C)c(CNC3CCCC3)nn2-c2ncccc2Cl)c1 | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL494406 | 187523 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 381 | 5 | 1 | 5 | 4.6 | Cc1cncc(-c2c(C)c(CNC3CCCC3)nn2-c2ncccc2Cl)c1 | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL526142 | 215671 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| 45273662 | 195848 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 419 | 5 | 1 | 3 | 6.5 | Clc1ccc(-c2cc(CNC3CCCC3)nn2-c2ccc(Cl)cc2Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL558524 | 195848 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 419 | 5 | 1 | 3 | 6.5 | Clc1ccc(-c2cc(CNC3CCCC3)nn2-c2ccc(Cl)cc2Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| 44406621 | 72890 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 405 | 3 | 2 | 4 | 3.2 | O=C1NCN(c2ccccc2)C12CCN([C@H]1CCCC[C@@]1(O)c1ccccc1)CC2 | 10.1016/j.bmcl.2005.09.067 | |||
| CHEMBL200371 | 72890 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 405 | 3 | 2 | 4 | 3.2 | O=C1NCN(c2ccccc2)C12CCN([C@H]1CCCC[C@@]1(O)c1ccccc1)CC2 | 10.1016/j.bmcl.2005.09.067 | |||
| 44407084 | 140358 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 477 | 7 | 1 | 5 | 3.5 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@H]1COCN1C(=O)OCc1ccccc1 | 10.1021/jm0509851 | |||
| CHEMBL380786 | 140358 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 477 | 7 | 1 | 5 | 3.5 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@H]1COCN1C(=O)OCc1ccccc1 | 10.1021/jm0509851 | |||
| 44404653 | 141306 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 446 | 5 | 0 | 3 | 5.9 | COc1ccc(CN2C(=O)C3(CCN(CC4CCCCCCC4)CC3)c3ccccc32)cc1 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL383371 | 141306 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 446 | 5 | 0 | 3 | 5.9 | COc1ccc(CN2C(=O)C3(CCN(CC4CCCCCCC4)CC3)c3ccccc32)cc1 | 10.1016/j.bmcl.2005.08.009 | |||
| 44406557 | 72973 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 406 | 3 | 2 | 5 | 2.6 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1cccnc1)CC2 | 10.1016/j.bmcl.2005.09.067 | |||
| CHEMBL200695 | 72973 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 406 | 3 | 2 | 5 | 2.6 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1cccnc1)CC2 | 10.1016/j.bmcl.2005.09.067 | |||
| 118726267 | 117233 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 594 | 11 | 2 | 6 | 5.6 | Cc1ccccc1CNC[C@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O | 10.1016/j.bmcl.2014.12.015 | |||
| CHEMBL3394749 | 117233 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 594 | 11 | 2 | 6 | 5.6 | Cc1ccccc1CNC[C@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O | 10.1016/j.bmcl.2014.12.015 | |||
| 44456187 | 95639 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 985 | 31 | 15 | 11 | -0.4 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | |||
| CHEMBL257921 | 95639 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 985 | 31 | 15 | 11 | -0.4 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | |||
| 44456412 | 97482 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 965 | 30 | 15 | 11 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | |||
| CHEMBL270231 | 97482 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 965 | 30 | 15 | 11 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | |||
| 15982658 | 96697 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 432 | 4 | 0 | 4 | 3.8 | COC(=O)CN1C(=O)C2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL264066 | 96697 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 432 | 4 | 0 | 4 | 3.8 | COC(=O)CN1C(=O)C2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| 44449771 | 155648 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 342 | 4 | 2 | 4 | 3.4 | Fc1cc2nc(SCc3ccccc3)[nH]c2cc1N1CCNCC1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL404771 | 155648 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 342 | 4 | 2 | 4 | 3.4 | Fc1cc2nc(SCc3ccccc3)[nH]c2cc1N1CCNCC1 | 10.1016/j.bmcl.2008.04.054 | |||
| 136043771 | 78189 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 366 | 7 | 1 | 4 | 4.8 | CN(C)CCc1cccc2[nH]c(-c3nc(CCC4CCCCC4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| CHEMBL210504 | 78189 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 366 | 7 | 1 | 4 | 4.8 | CN(C)CCc1cccc2[nH]c(-c3nc(CCC4CCCCC4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| 52915147 | 60928 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 508 | 12 | 2 | 5 | 7.3 | CCCCCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762393 | 60928 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 508 | 12 | 2 | 5 | 7.3 | CCCCCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| 52915635 | 60944 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 539 | 15 | 4 | 6 | 6.3 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCN)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762409 | 60944 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 539 | 15 | 4 | 6 | 6.3 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCN)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 52915266 | 60929 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 522 | 13 | 2 | 5 | 7.7 | CCCCCCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762394 | 60929 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 522 | 13 | 2 | 5 | 7.7 | CCCCCCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| 44450151 | 95790 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 329 | 5 | 2 | 5 | 3.1 | CCC(CC)Sc1nc2cc(C#N)c(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL258711 | 95790 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 329 | 5 | 2 | 5 | 3.1 | CCC(CC)Sc1nc2cc(C#N)c(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| 45270917 | 195041 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 341 | 4 | 1 | 3 | 3.8 | Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)c(F)c(F)c1 | 10.1016/j.bmcl.2009.06.051 | |||
| CHEMBL549439 | 195041 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 341 | 4 | 1 | 3 | 3.8 | Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)c(F)c(F)c1 | 10.1016/j.bmcl.2009.06.051 | |||
| 45270928 | 195586 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 353 | 6 | 2 | 4 | 3.1 | Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCO)c1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.051 | |||
| CHEMBL555354 | 195586 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 353 | 6 | 2 | 4 | 3.1 | Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCO)c1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.051 | |||
| 24847114 | 155384 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 389 | 3 | 1 | 3 | 4.3 | O=C1NCN(c2ccccc2)C12CCN(C1(c3ccccc3)CCCCC1)CC2 | 10.1016/j.bmcl.2006.05.063 | |||
| CHEMBL403515 | 155384 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 389 | 3 | 1 | 3 | 4.3 | O=C1NCN(c2ccccc2)C12CCN(C1(c3ccccc3)CCCCC1)CC2 | 10.1016/j.bmcl.2006.05.063 | |||
| 44404695 | 72496 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.7 | Cc1ccc2c(c1)N(C)C(=O)C21CCN(CC2CCCCCCC2)CC1 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL199011 | 72496 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.7 | Cc1ccc2c(c1)N(C)C(=O)C21CCN(CC2CCCCCCC2)CC1 | 10.1016/j.bmcl.2005.08.009 | |||
| 44143408 | 178536 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 435 | 7 | 1 | 3 | 6.9 | Cc1c(CNCCC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL466843 | 178536 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 435 | 7 | 1 | 3 | 6.9 | Cc1c(CNCCC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.04.116 | |||
| 44143407 | 193216 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 421 | 6 | 1 | 3 | 6.6 | Cc1c(CNCC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL523530 | 193216 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 421 | 6 | 1 | 3 | 6.6 | Cc1c(CNCC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.04.116 | |||
| 44406538 | 72838 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 405 | 3 | 2 | 4 | 3.2 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1ccccc1)CC2 | 10.1016/j.bmcl.2005.09.067 | |||
| CHEMBL200204 | 72838 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 405 | 3 | 2 | 4 | 3.2 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1ccccc1)CC2 | 10.1016/j.bmcl.2005.09.067 | |||
| 44406551 | 133827 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 406 | 3 | 2 | 5 | 2.6 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1ccccn1)CC2 | 10.1016/j.bmcl.2005.09.067 | |||
| CHEMBL371550 | 133827 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 406 | 3 | 2 | 5 | 2.6 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1ccccn1)CC2 | 10.1016/j.bmcl.2005.09.067 | |||
| 18441735 | 79509 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 405 | 3 | 2 | 4 | 3.2 | O=C1NCN(c2ccccc2)C12CCN(C1CCCCC1(O)c1ccccc1)CC2 | 10.1016/j.bmcl.2006.05.058 | |||
| CHEMBL211373 | 79509 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 405 | 3 | 2 | 4 | 3.2 | O=C1NCN(c2ccccc2)C12CCN(C1CCCCC1(O)c1ccccc1)CC2 | 10.1016/j.bmcl.2006.05.058 | |||
| 52915637 | 60946 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 567 | 17 | 4 | 6 | 7.1 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCCN)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762411 | 60946 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 567 | 17 | 4 | 6 | 7.1 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCCN)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 52915267 | 60930 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 536 | 14 | 2 | 5 | 8.1 | CCCCCCCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762395 | 60930 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 536 | 14 | 2 | 5 | 8.1 | CCCCCCCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| 52915515 | 60940 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 469 | 10 | 4 | 6 | 4.4 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCN)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762405 | 60940 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 469 | 10 | 4 | 6 | 4.4 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCN)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 44574053 | 178620 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 451 | 5 | 2 | 6 | 4.1 | CCN1CCN(c2cc3[nH]c(SC4(C)CCC(NC(=O)OC)C4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL467473 | 178620 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 451 | 5 | 2 | 6 | 4.1 | CCN1CCN(c2cc3[nH]c(SC4(C)CCC(NC(=O)OC)C4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| 44456299 | 97477 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 979 | 31 | 15 | 11 | -0.3 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(C)(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | |||
| CHEMBL270216 | 97477 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 979 | 31 | 15 | 11 | -0.3 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(C)(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | |||
| 118726265 | 117231 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 586 | 11 | 2 | 7 | 5.3 | O=C1N(C[C@@H](O)CNCc2cccs2)CN(c2ccccc2)C12CCN(CCc1ccccc1-c1cccs1)CC2 | 10.1016/j.bmcl.2014.12.015 | |||
| CHEMBL3394747 | 117231 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 586 | 11 | 2 | 7 | 5.3 | O=C1N(C[C@@H](O)CNCc2cccs2)CN(c2ccccc2)C12CCN(CCc1ccccc1-c1cccs1)CC2 | 10.1016/j.bmcl.2014.12.015 | |||
| 45271902 | 195524 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 465 | 7 | 1 | 3 | 7.2 | FCCn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL554058 | 195524 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 465 | 7 | 1 | 3 | 7.2 | FCCn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| 45269372 | 196659 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 489 | 8 | 1 | 3 | 8.6 | CCC(CC)n1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL564484 | 196659 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 489 | 8 | 1 | 3 | 8.6 | CCC(CC)n1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| 45268503 | 196700 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 447 | 6 | 1 | 3 | 7.2 | CCn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL564837 | 196700 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 447 | 6 | 1 | 3 | 7.2 | CCn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| 118726264 | 117230 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 636 | 14 | 1 | 6 | 6.8 | CCCCN(Cc1ccccc1)C[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O | 10.1016/j.bmcl.2014.12.015 | |||
| CHEMBL3394746 | 117230 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 636 | 14 | 1 | 6 | 6.8 | CCCCN(Cc1ccccc1)C[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O | 10.1016/j.bmcl.2014.12.015 | |||
| 22272877 | 95894 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 368 | 4 | 2 | 5 | 3.2 | CC(C)(C)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL259185 | 95894 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 368 | 4 | 2 | 5 | 3.2 | CC(C)(C)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| 22272900 | 96672 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 348 | 4 | 2 | 4 | 3.8 | Fc1cc2nc(SCC3CCCCC3)[nH]c2cc1N1CCNCC1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL263889 | 96672 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 348 | 4 | 2 | 4 | 3.8 | Fc1cc2nc(SCC3CCCCC3)[nH]c2cc1N1CCNCC1 | 10.1016/j.bmcl.2008.04.054 | |||
| 45268356 | 196536 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.2 | Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(Cl)c1 | 10.1016/j.bmcl.2009.06.051 | |||
| CHEMBL563686 | 196536 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.2 | Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(Cl)c1 | 10.1016/j.bmcl.2009.06.051 | |||
| 22272877 | 95894 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 368 | 4 | 2 | 5 | 3.2 | CC(C)(C)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.037 | |||
| CHEMBL259185 | 95894 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 368 | 4 | 2 | 5 | 3.2 | CC(C)(C)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.037 | |||
| 44407070 | 73927 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 394 | 7 | 1 | 3 | 4.3 | O=C(CSc1ccccc1)NCCCN1CCC2(CCc3ccccc32)CC1 | 10.1021/jm0509851 | |||
| CHEMBL202059 | 73927 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 394 | 7 | 1 | 3 | 4.3 | O=C(CSc1ccccc1)NCCCN1CCC2(CCc3ccccc32)CC1 | 10.1021/jm0509851 | |||
| 118726273 | 117240 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 649 | 11 | 2 | 6 | 5.3 | Cc1ccc(CN(C[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)C(=O)[C@H](N)C(C)C)cc1 | 10.1016/j.bmcl.2014.12.015 | |||
| CHEMBL3394756 | 117240 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 649 | 11 | 2 | 6 | 5.3 | Cc1ccc(CN(C[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)C(=O)[C@H](N)C(C)C)cc1 | 10.1016/j.bmcl.2014.12.015 | |||
| 44576627 | 193240 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 394 | 7 | 2 | 5 | 3.8 | CCC(CC)Sc1nc2cc(Cl)c(N3C[C@@H]4C[C@H]3CN4CCO)cc2[nH]1 | 10.1016/j.bmcl.2008.04.037 | |||
| CHEMBL523724 | 193240 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 394 | 7 | 2 | 5 | 3.8 | CCC(CC)Sc1nc2cc(Cl)c(N3C[C@@H]4C[C@H]3CN4CCO)cc2[nH]1 | 10.1016/j.bmcl.2008.04.037 | |||
| 44404731 | 136039 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 412 | 5 | 0 | 4 | 4.3 | CC(=O)OCCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL373190 | 136039 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 412 | 5 | 0 | 4 | 4.3 | CC(=O)OCCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| 44449767 | 96020 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 356 | 4 | 2 | 4 | 3.7 | Cc1cccc(CSc2nc3cc(F)c(N4CCNCC4)cc3[nH]2)c1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL259764 | 96020 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 356 | 4 | 2 | 4 | 3.7 | Cc1cccc(CSc2nc3cc(F)c(N4CCNCC4)cc3[nH]2)c1 | 10.1016/j.bmcl.2008.04.054 | |||
| 52915268 | 60931 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 550 | 15 | 2 | 5 | 8.5 | CCCCCCCCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762396 | 60931 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 550 | 15 | 2 | 5 | 8.5 | CCCCCCCCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| 52915145 | 60926 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 480 | 10 | 2 | 5 | 6.6 | CCCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762391 | 60926 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 480 | 10 | 2 | 5 | 6.6 | CCCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| 10004950 | 10047 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 470 | 5 | 1 | 6 | 2.5 | CNC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cc4c(cc3Cl)OCO4)CC2)C1=O | 10.1021/jm010878g | |||
| CHEMBL115222 | 10047 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 470 | 5 | 1 | 6 | 2.5 | CNC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cc4c(cc3Cl)OCO4)CC2)C1=O | 10.1021/jm010878g | |||
| 45271885 | 196622 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 459 | 6 | 1 | 3 | 7.5 | Clc1ccc(-c2c(-c3ccc(Cl)cc3Cl)nc(CNC3CCCC3)n2C2CC2)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL564225 | 196622 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 459 | 6 | 1 | 3 | 7.5 | Clc1ccc(-c2c(-c3ccc(Cl)cc3Cl)nc(CNC3CCCC3)n2C2CC2)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| 44342270 | 9928 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 355 | 3 | 1 | 4 | 4.5 | Cc1ccc(CN2CCC(n3c(O)nc4ccccc43)CC2)c(Cl)c1 | 10.1021/jm010878g | |||
| CHEMBL114484 | 9928 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 355 | 3 | 1 | 4 | 4.5 | Cc1ccc(CN2CCC(n3c(O)nc4ccccc43)CC2)c(Cl)c1 | 10.1021/jm010878g | |||
| 44143435 | 178440 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 441 | 5 | 2 | 6 | 3.5 | CCN1CCN(c2cc3[nH]c(C(=O)[C@]4(C)CC[C@@H](NC(=O)OC)CC4)nc3cc2C)CC1 | 10.1016/j.bmcl.2009.04.023 | |||
| CHEMBL466112 | 178440 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 441 | 5 | 2 | 6 | 3.5 | CCN1CCN(c2cc3[nH]c(C(=O)[C@]4(C)CC[C@@H](NC(=O)OC)CC4)nc3cc2C)CC1 | 10.1016/j.bmcl.2009.04.023 | |||
| 45270907 | 195757 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 334 | 5 | 1 | 4 | 3.7 | CCn1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cnc(C)c(F)c1 | 10.1016/j.bmcl.2009.06.051 | |||
| CHEMBL557623 | 195757 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 334 | 5 | 1 | 4 | 3.7 | CCn1nc(CN[C@H]2CC[C@@H](F)C2)c(C)c1-c1cnc(C)c(F)c1 | 10.1016/j.bmcl.2009.06.051 | |||
| 22273044 | 95789 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 338 | 5 | 2 | 4 | 3.9 | CCC(CC)Sc1nc2cc(Cl)c(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL258710 | 95789 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 338 | 5 | 2 | 4 | 3.9 | CCC(CC)Sc1nc2cc(Cl)c(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| 44143449 | 178589 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 485 | 6 | 2 | 6 | 3.7 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](NS(C)(=O)=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL467266 | 178589 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 485 | 6 | 2 | 6 | 3.7 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](NS(C)(=O)=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL510117 | 215579 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| CHEMBL510117 | 215579 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.06.015 | |||||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm701575k | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm701575k | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm701575k | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm701575k | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm701575k | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm701575k | |||||
| 24882570 | 115129 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 981 | 32 | 16 | 12 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2014.09.018 | |||
| CHEMBL3343946 | 115129 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 981 | 32 | 16 | 12 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2014.09.018 | |||
| CHEMBL3343947 | 115129 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 981 | 32 | 16 | 12 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2014.09.018 | |||
| 44143453 | 178479 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 474 | 5 | 1 | 8 | 4.1 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](c5nnn(C)n5)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL466448 | 178479 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 474 | 5 | 1 | 8 | 4.1 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](c5nnn(C)n5)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL455289 | 214000 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2008.09.014 | |||||
| 1691 | 2105 | 23 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10.1021/jm990517p | |||
| 5311194 | 2105 | 23 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10.1021/jm990517p | |||
| CHEMBL357076 | 2105 | 23 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10.1021/jm990517p | |||
| 1691 | 2105 | 23 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10.1021/jm900581g | |||
| 5311194 | 2105 | 23 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10.1021/jm900581g | |||
| CHEMBL357076 | 2105 | 23 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10.1021/jm900581g | |||
| 44189834 | 14020 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 425 | 6 | 2 | 6 | 2.8 | O=c1n(C(CO)CO)c2ccccc2n1C1CCN(C[C@H]2[C@H]3CC[C@H](C3)C23CC3)CC1 | 10.1021/jm900581g | |||
| CHEMBL1197240 | 14020 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 425 | 6 | 2 | 6 | 2.8 | O=c1n(C(CO)CO)c2ccccc2n1C1CCN(C[C@H]2[C@H]3CC[C@H](C3)C23CC3)CC1 | 10.1021/jm900581g | |||
| CHEMBL563657 | 14020 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 425 | 6 | 2 | 6 | 2.8 | O=c1n(C(CO)CO)c2ccccc2n1C1CCN(C[C@H]2[C@H]3CC[C@H](C3)C23CC3)CC1 | 10.1021/jm900581g | |||
| 44189733 | 14028 | 4 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 425 | 6 | 2 | 6 | 2.6 | O=c1n(C[C@@H](O)CO)c2ccccc2n1C1CCN(C[C@H]2[C@H]3CC[C@H](C3)C23CC3)CC1 | 10.1021/jm900581g | |||
| CHEMBL1197275 | 14028 | 4 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 425 | 6 | 2 | 6 | 2.6 | O=c1n(C[C@@H](O)CO)c2ccccc2n1C1CCN(C[C@H]2[C@H]3CC[C@H](C3)C23CC3)CC1 | 10.1021/jm900581g | |||
| CHEMBL564840 | 14028 | 4 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 425 | 6 | 2 | 6 | 2.6 | O=c1n(C[C@@H](O)CO)c2ccccc2n1C1CCN(C[C@H]2[C@H]3CC[C@H](C3)C23CC3)CC1 | 10.1021/jm900581g | |||
| 1691 | 2105 | 23 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10.1021/jm0509851 | |||
| 5311194 | 2105 | 23 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10.1021/jm0509851 | |||
| CHEMBL357076 | 2105 | 23 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10.1021/jm0509851 | |||
| 44143432 | 178708 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 465 | 5 | 2 | 6 | 4.5 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](NC(=O)OC)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.023 | |||
| CHEMBL468302 | 178708 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 465 | 5 | 2 | 6 | 4.5 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](NC(=O)OC)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.023 | |||
| 44143432 | 178708 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 465 | 5 | 2 | 6 | 4.5 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](NC(=O)OC)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL468302 | 178708 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 465 | 5 | 2 | 6 | 4.5 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](NC(=O)OC)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| 44143428 | 178711 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.6 | Cc1ccc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2-c2ncccc2Cl)cn1 | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL468308 | 178711 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.6 | Cc1ccc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2-c2ncccc2Cl)cn1 | 10.1016/j.bmcl.2009.04.116 | |||
| 24857819 | 187515 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 382 | 4 | 2 | 5 | 3.6 | C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl | 10.1016/j.bmcl.2008.04.037 | |||
| 24857819 | 187515 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 382 | 4 | 2 | 5 | 3.6 | C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL494350 | 187515 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 382 | 4 | 2 | 5 | 3.6 | C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl | 10.1016/j.bmcl.2008.04.037 | |||
| CHEMBL494350 | 187515 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 382 | 4 | 2 | 5 | 3.6 | C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl | 10.1016/j.bmcl.2009.04.022 | |||
| 44456140 | 168712 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 951 | 31 | 15 | 11 | -1.1 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | |||
| CHEMBL436852 | 168712 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 951 | 31 | 15 | 11 | -1.1 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | |||
| 44450086 | 158293 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 394 | 5 | 2 | 5 | 3.8 | OCCN1CCN(c2cc3[nH]c(SC4CCCCC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL408901 | 158293 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 394 | 5 | 2 | 5 | 3.8 | OCCN1CCN(c2cc3[nH]c(SC4CCCCC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2008.04.054 | |||
| 416359 | 101858 | 21 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 307 | 3 | 1 | 4 | 3.6 | Oc1nc2ccccc2n1C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2003.09.068 | |||
| CHEMBL300616 | 101858 | 21 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 307 | 3 | 1 | 4 | 3.6 | Oc1nc2ccccc2n1C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2003.09.068 | |||
| 416359 | 101858 | 21 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 307 | 3 | 1 | 4 | 3.6 | Oc1nc2ccccc2n1C1CCN(Cc2ccccc2)CC1 | 10.1021/jm990517p | |||
| CHEMBL300616 | 101858 | 21 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 307 | 3 | 1 | 4 | 3.6 | Oc1nc2ccccc2n1C1CCN(Cc2ccccc2)CC1 | 10.1021/jm990517p | |||
| 45267616 | 196285 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 432 | 5 | 1 | 2 | 7.4 | Cc1c(CNC2CCCC2)cc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL562077 | 196285 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 432 | 5 | 1 | 2 | 7.4 | Cc1c(CNC2CCCC2)cc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| 52915517 | 60942 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 497 | 12 | 4 | 6 | 5.2 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCN)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762407 | 60942 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 497 | 12 | 4 | 6 | 5.2 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCN)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 52916174 | 60948 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 411 | 6 | 2 | 5 | 4.8 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(C=O)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762413 | 60948 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 411 | 6 | 2 | 5 | 4.8 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(C=O)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 52915146 | 60927 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 494 | 11 | 2 | 5 | 7.0 | CCCCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762392 | 60927 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 494 | 11 | 2 | 5 | 7.0 | CCCCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| 44407116 | 74200 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 5.4 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1Cc1ccccc1 | 10.1021/jm0509851 | |||
| CHEMBL202322 | 74200 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 5.4 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1Cc1ccccc1 | 10.1021/jm0509851 | |||
| 44143445 | 178453 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 439 | 7 | 2 | 6 | 4.0 | CCN1CCN(c2cc3[nH]c(SC(C)(C)CCNC(=O)OC)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL466221 | 178453 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 439 | 7 | 2 | 6 | 4.0 | CCN1CCN(c2cc3[nH]c(SC(C)(C)CCNC(=O)OC)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| 44455999 | 97509 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 965 | 32 | 15 | 11 | -0.7 | CCC(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC | 10.1016/j.bmc.2007.11.043 | |||
| CHEMBL270394 | 97509 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 965 | 32 | 15 | 11 | -0.7 | CCC(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC | 10.1016/j.bmc.2007.11.043 | |||
| 44456339 | 168891 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 979 | 34 | 15 | 11 | -0.1 | CCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC | 10.1016/j.bmc.2007.11.043 | |||
| CHEMBL438383 | 168891 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 979 | 34 | 15 | 11 | -0.1 | CCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC | 10.1016/j.bmc.2007.11.043 | |||
| 45269228 | 195929 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 373 | 4 | 1 | 3 | 4.5 | Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2009.06.051 | |||
| CHEMBL559402 | 195929 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 373 | 4 | 1 | 3 | 4.5 | Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2009.06.051 | |||
| 136043790 | 78059 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 408 | 8 | 1 | 4 | 5.2 | CN(C)CCCc1cccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| CHEMBL210000 | 78059 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 408 | 8 | 1 | 4 | 5.2 | CN(C)CCCc1cccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| 52915636 | 60945 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 553 | 16 | 4 | 6 | 6.7 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCN)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762410 | 60945 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 553 | 16 | 4 | 6 | 6.7 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCN)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL444110 | 213926 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | |||||
| 44143444 | 178425 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 352 | 3 | 1 | 4 | 4.2 | CCN1CCN(c2cc3[nH]c(SC(C)(C)C)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL466020 | 178425 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 352 | 3 | 1 | 4 | 4.2 | CCN1CCN(c2cc3[nH]c(SC(C)(C)C)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| 579 | 3142 | 18 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.036 | |||||
| 6918468 | 3142 | 18 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.036 | |||||
| CHEMBL41547 | 3142 | 18 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.07.036 | |||||
| 11710187 | 72078 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 358 | 2 | 0 | 2 | 4.5 | CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL197727 | 72078 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 358 | 2 | 0 | 2 | 4.5 | CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| 44450209 | 96215 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 376 | 4 | 2 | 4 | 4.1 | Fc1cc2nc(SCc3ccccc3Cl)[nH]c2cc1N1CCNCC1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL260821 | 96215 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 376 | 4 | 2 | 4 | 4.1 | Fc1cc2nc(SCc3ccccc3Cl)[nH]c2cc1N1CCNCC1 | 10.1016/j.bmcl.2008.04.054 | |||
| 44143439 | 172748 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 402 | 4 | 1 | 4 | 4.9 | C[C@@H]1CN(CC(F)F)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL450887 | 172748 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 402 | 4 | 1 | 4 | 4.9 | C[C@@H]1CN(CC(F)F)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl | 10.1016/j.bmcl.2009.04.022 | |||
| 44407085 | 74043 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 439 | 7 | 2 | 3 | 5.5 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1Nc1ccccc1 | 10.1021/jm0509851 | |||
| CHEMBL202220 | 74043 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 439 | 7 | 2 | 3 | 5.5 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1Nc1ccccc1 | 10.1021/jm0509851 | |||
| 136043796 | 79018 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 374 | 7 | 1 | 4 | 4.4 | Cc1ccc(CCc2noc(-c3cc4c(CCN(C)C)cccc4[nH]3)n2)cc1 | 10.1016/j.bmcl.2006.03.086 | |||
| CHEMBL211310 | 79018 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 374 | 7 | 1 | 4 | 4.4 | Cc1ccc(CCc2noc(-c3cc4c(CCN(C)C)cccc4[nH]3)n2)cc1 | 10.1016/j.bmcl.2006.03.086 | |||
| 44407133 | 74399 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 3.5 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@H]1COC(=O)N1Cc1ccccc1 | 10.1021/jm0509851 | |||
| CHEMBL202492 | 74399 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 3.5 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@H]1COC(=O)N1Cc1ccccc1 | 10.1021/jm0509851 | |||
| 44450180 | 156761 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 442 | 4 | 2 | 5 | 3.4 | O=S(=O)(Cc1cccc(Cl)c1Cl)c1nc2cc(F)c(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL407068 | 156761 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 442 | 4 | 2 | 5 | 3.4 | O=S(=O)(Cc1cccc(Cl)c1Cl)c1nc2cc(F)c(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| 44404684 | 140627 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 370 | 3 | 0 | 3 | 4.4 | COc1ccc2c(c1)N(C)C(=O)C21CCN(CC2CCCCCCC2)CC1 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL381429 | 140627 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 370 | 3 | 0 | 3 | 4.4 | COc1ccc2c(c1)N(C)C(=O)C21CCN(CC2CCCCCCC2)CC1 | 10.1016/j.bmcl.2005.08.009 | |||
| 11811722 | 10063 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 413 | 5 | 1 | 4 | 4.4 | O=C1NCN(c2ccccc2)C12CCN(Cc1cccc(Oc3ccccc3)c1)CC2 | 10.1021/jm010878g | |||
| CHEMBL115280 | 10063 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 413 | 5 | 1 | 4 | 4.4 | O=C1NCN(c2ccccc2)C12CCN(Cc1cccc(Oc3ccccc3)c1)CC2 | 10.1021/jm010878g | |||
| 52915634 | 60943 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 525 | 14 | 4 | 6 | 6.0 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCN)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762408 | 60943 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 525 | 14 | 4 | 6 | 6.0 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCN)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 11411841 | 60906 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 835 | 16 | 0 | 6 | 10.4 | CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)C(=O)N(CCCCCCCCCN2CN(c4ccccc4)C4(CCN([C@H]5CC[C@@H](C(C)C)CC5)CC4)C2=O)CN3c2ccccc2)CC1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762371 | 60906 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 835 | 16 | 0 | 6 | 10.4 | CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)C(=O)N(CCCCCCCCCN2CN(c4ccccc4)C4(CCN([C@H]5CC[C@@H](C(C)C)CC5)CC4)C2=O)CN3c2ccccc2)CC1 | 10.1016/j.ejmech.2011.01.040 | |||
| 15982935 | 170272 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 414 | 4 | 0 | 4 | 3.9 | COC(=O)CN1C(=O)C2(CCN(Cc3ccc4ccccc4c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL444620 | 170272 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 414 | 4 | 0 | 4 | 3.9 | COC(=O)CN1C(=O)C2(CCN(Cc3ccc4ccccc4c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| 118726268 | 117234 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 594 | 11 | 2 | 6 | 5.6 | Cc1ccccc1CNC[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O | 10.1016/j.bmcl.2014.12.015 | |||
| CHEMBL3394750 | 117234 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 594 | 11 | 2 | 6 | 5.6 | Cc1ccccc1CNC[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O | 10.1016/j.bmcl.2014.12.015 | |||
| 45271015 | 195536 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 381 | 5 | 1 | 5 | 4.6 | Cc1ccc(-n2c(-c3ncccc3Cl)nc(CNC3CCCC3)c2C)cn1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL554299 | 195536 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 381 | 5 | 1 | 5 | 4.6 | Cc1ccc(-n2c(-c3ncccc3Cl)nc(CNC3CCCC3)c2C)cn1 | 10.1016/j.bmcl.2009.06.095 | |||
| 44404689 | 168316 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 356 | 2 | 1 | 3 | 4.1 | CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccc(O)cc21 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL434179 | 168316 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 356 | 2 | 1 | 3 | 4.1 | CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccc(O)cc21 | 10.1016/j.bmcl.2005.08.009 | |||
| 9823363 | 189251 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 418 | 4 | 2 | 5 | 3.9 | CCN1CCN(c2cc3[nH]c(C(=O)[C@]4(C)CC[C@](C)(O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.023 | |||
| CHEMBL511742 | 189251 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 418 | 4 | 2 | 5 | 3.9 | CCN1CCN(c2cc3[nH]c(C(=O)[C@]4(C)CC[C@](C)(O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.023 | |||
| 44143442 | 178500 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 4.5 | C[C@@H]1CN(CCC#N)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL466630 | 178500 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 391 | 4 | 1 | 5 | 4.5 | C[C@@H]1CN(CCC#N)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl | 10.1016/j.bmcl.2009.04.022 | |||
| 44143421 | 187498 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 435 | 5 | 1 | 5 | 5.3 | Cc1c(CNC2CCCC2)nn(-c2ncccc2Cl)c1-c1ccc(C(F)(F)F)nc1 | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL494231 | 187498 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 435 | 5 | 1 | 5 | 5.3 | Cc1c(CNC2CCCC2)nn(-c2ncccc2Cl)c1-c1ccc(C(F)(F)F)nc1 | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL268145 | 210738 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010092i | |||||
| 15983067 | 72528 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 384 | 4 | 0 | 3 | 4.8 | CCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccc(OC)cc21 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL199095 | 72528 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 384 | 4 | 0 | 3 | 4.8 | CCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccc(OC)cc21 | 10.1016/j.bmcl.2005.08.009 | |||
| 44143413 | 189369 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 433 | 5 | 1 | 3 | 6.8 | Cc1c(CNC2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL512827 | 189369 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 433 | 5 | 1 | 3 | 6.8 | Cc1c(CNC2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.04.116 | |||
| 44143413 | 189369 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 433 | 5 | 1 | 3 | 6.8 | Cc1c(CNC2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL512827 | 189369 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 433 | 5 | 1 | 3 | 6.8 | Cc1c(CNC2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| 45267601 | 196096 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 433 | 5 | 1 | 3 | 6.8 | Cc1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL560875 | 196096 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 433 | 5 | 1 | 3 | 6.8 | Cc1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| 52915031 | 60922 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 949 | 24 | 6 | 10 | 11.8 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762387 | 60922 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 949 | 24 | 6 | 10 | 11.8 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 10949380 | 164021 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 399 | 3 | 1 | 6 | 4.3 | Cc1ccc2nc(O)n(C3CCN(Cc4cc5c(cc4Cl)OCO5)CC3)c2c1 | 10.1021/jm010878g | |||
| CHEMBL420863 | 164021 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 399 | 3 | 1 | 6 | 4.3 | Cc1ccc2nc(O)n(C3CCN(Cc4cc5c(cc4Cl)OCO5)CC3)c2c1 | 10.1021/jm010878g | |||
| 44404646 | 140294 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 370 | 4 | 1 | 3 | 3.7 | O=C1N(CCO)c2ccccc2C12CCN(CC1CCCCCCC1)CC2 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL380603 | 140294 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 370 | 4 | 1 | 3 | 3.7 | O=C1N(CCO)c2ccccc2C12CCN(CC1CCCCCCC1)CC2 | 10.1016/j.bmcl.2005.08.009 | |||
| 44407086 | 73669 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 451 | 7 | 1 | 5 | 4.9 | O=C(CSc1nc2ccccc2s1)NCCCN1CCC2(CCc3ccccc32)CC1 | 10.1021/jm0509851 | |||
| CHEMBL201826 | 73669 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 451 | 7 | 1 | 5 | 4.9 | O=C(CSc1nc2ccccc2s1)NCCCN1CCC2(CCc3ccccc32)CC1 | 10.1021/jm0509851 | |||
| 44449793 | 157657 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 266 | 2 | 2 | 4 | 1.8 | CSc1nc2cc(F)c(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL408148 | 157657 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 266 | 2 | 2 | 4 | 1.8 | CSc1nc2cc(F)c(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| 44450207 | 159451 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 426 | 4 | 2 | 4 | 3.7 | [O-][S+](Cc1cccc(Cl)c1Cl)c1nc2cc(F)c(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL410124 | 159451 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 426 | 4 | 2 | 4 | 3.7 | [O-][S+](Cc1cccc(Cl)c1Cl)c1nc2cc(F)c(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL442113 | 213905 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010092i | |||||
| CHEMBL435511 | 213665 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm010092i | |||||
| 45273537 | 196426 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 323 | 4 | 1 | 3 | 3.7 | Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.051 | |||
| CHEMBL562932 | 196426 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 323 | 4 | 1 | 3 | 3.7 | Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.051 | |||
| 45268498 | 196699 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 413 | 6 | 1 | 5 | 4.8 | CCc1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL564812 | 196699 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 413 | 6 | 1 | 5 | 4.8 | CCc1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1 | 10.1016/j.bmcl.2009.06.095 | |||
| 44456141 | 95352 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1043 | 31 | 15 | 11 | 0.5 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | |||
| CHEMBL256687 | 95352 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 1043 | 31 | 15 | 11 | 0.5 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | |||
| 118726269 | 117235 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 654 | 14 | 2 | 8 | 5.3 | COc1ccc(CCNC[C@@H](O)CN2CN(c3ccccc3)C3(CCN(CCc4ccccc4-c4cccs4)CC3)C2=O)cc1OC | 10.1016/j.bmcl.2014.12.015 | |||
| CHEMBL3394751 | 117235 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 654 | 14 | 2 | 8 | 5.3 | COc1ccc(CCNC[C@@H](O)CN2CN(c3ccccc3)C3(CCN(CCc4ccccc4-c4cccs4)CC3)C2=O)cc1OC | 10.1016/j.bmcl.2014.12.015 | |||
| 44407044 | 140575 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 447 | 7 | 2 | 4 | 3.2 | O=C1N[C@@H](Cc2ccccc2)[C@@H](C(=O)NCCCN2CCC3(CCc4ccccc43)CC2)O1 | 10.1021/jm0509851 | |||
| CHEMBL381287 | 140575 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 447 | 7 | 2 | 4 | 3.2 | O=C1N[C@@H](Cc2ccccc2)[C@@H](C(=O)NCCCN2CCC3(CCc4ccccc43)CC2)O1 | 10.1021/jm0509851 | |||
| 1692 | 2152 | 29 | None | 12 | 4 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 411 | 6 | 2 | 4 | 5.5 | CCc1ccc(cc1)OCc1ccccc1C(=O)Nc1ccc2c(c1)c(N)cc(n2)C | 10.1016/j.ejmech.2011.01.040 | |||
| 5311340 | 2152 | 29 | None | 12 | 4 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 411 | 6 | 2 | 4 | 5.5 | CCc1ccc(cc1)OCc1ccccc1C(=O)Nc1ccc2c(c1)c(N)cc(n2)C | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL140979 | 2152 | 29 | None | 12 | 4 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 411 | 6 | 2 | 4 | 5.5 | CCc1ccc(cc1)OCc1ccccc1C(=O)Nc1ccc2c(c1)c(N)cc(n2)C | 10.1016/j.ejmech.2011.01.040 | |||
| 52916714 | 60920 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 920 | 22 | 6 | 10 | 11.1 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762385 | 60920 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 920 | 22 | 6 | 10 | 11.1 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 44406618 | 133597 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 389 | 3 | 1 | 3 | 4.1 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCC[C@H]1c1ccccc1)CC2 | 10.1016/j.bmcl.2005.09.075 | |||
| CHEMBL371267 | 133597 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 389 | 3 | 1 | 3 | 4.1 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCC[C@H]1c1ccccc1)CC2 | 10.1016/j.bmcl.2005.09.075 | |||
| 52915393 | 60938 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 538 | 15 | 3 | 5 | 7.8 | CCCCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762403 | 60938 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 538 | 15 | 3 | 5 | 7.8 | CCCCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| 52915144 | 60925 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 466 | 9 | 2 | 5 | 6.2 | CCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762390 | 60925 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 466 | 9 | 2 | 5 | 6.2 | CCCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| 44449764 | 157250 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 356 | 4 | 2 | 4 | 3.7 | Cc1ccc(CSc2nc3cc(F)c(N4CCNCC4)cc3[nH]2)cc1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL407653 | 157250 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 356 | 4 | 2 | 4 | 3.7 | Cc1ccc(CSc2nc3cc(F)c(N4CCNCC4)cc3[nH]2)cc1 | 10.1016/j.bmcl.2008.04.054 | |||
| 52915030 | 60921 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 934 | 23 | 6 | 10 | 11.4 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762386 | 60921 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 934 | 23 | 6 | 10 | 11.4 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 44406618 | 133597 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 389 | 3 | 1 | 3 | 4.1 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCC[C@H]1c1ccccc1)CC2 | 10.1016/j.bmcl.2005.09.067 | |||
| CHEMBL371267 | 133597 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 389 | 3 | 1 | 3 | 4.1 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCC[C@H]1c1ccccc1)CC2 | 10.1016/j.bmcl.2005.09.067 | |||
| 22273255 | 157521 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 346 | 6 | 2 | 5 | 3.5 | CCC(CC)Sc1nc2cc(C(C)=O)c(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL407991 | 157521 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 346 | 6 | 2 | 5 | 3.5 | CCC(CC)Sc1nc2cc(C(C)=O)c(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| 11544654 | 70267 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 340 | 2 | 0 | 2 | 4.4 | CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL194200 | 70267 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 340 | 2 | 0 | 2 | 4.4 | CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| 52915032 | 60923 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 963 | 25 | 6 | 10 | 12.2 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762388 | 60923 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 963 | 25 | 6 | 10 | 12.2 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 15982791 | 72372 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 531 | 9 | 1 | 4 | 5.9 | CCN(Cc1ccc(C)cc1)CC(O)CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL198604 | 72372 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 531 | 9 | 1 | 4 | 5.9 | CCN(Cc1ccc(C)cc1)CC(O)CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| 17858339 | 96671 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 304 | 5 | 2 | 4 | 3.3 | CCC(CC)Sc1nc2ccc(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL263888 | 96671 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 304 | 5 | 2 | 4 | 3.3 | CCC(CC)Sc1nc2ccc(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| 45267506 | 196060 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 415 | 7 | 1 | 5 | 3.2 | Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCS(C)(=O)=O)c1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.051 | |||
| CHEMBL560469 | 196060 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 415 | 7 | 1 | 5 | 3.2 | Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCS(C)(=O)=O)c1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.051 | |||
| 44143423 | 187527 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 361 | 5 | 1 | 5 | 4.3 | Cc1ccc(-c2c(C)c(CNC3CCCC3)nn2-c2ncccc2C)cn1 | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL494413 | 187527 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 361 | 5 | 1 | 5 | 4.3 | Cc1ccc(-c2c(C)c(CNC3CCCC3)nn2-c2ncccc2C)cn1 | 10.1016/j.bmcl.2009.04.116 | |||
| 45268504 | 196109 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 461 | 6 | 1 | 3 | 7.8 | CC(C)n1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL560937 | 196109 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 461 | 6 | 1 | 3 | 7.8 | CC(C)n1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| 44407140 | 74413 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 415 | 6 | 2 | 3 | 3.8 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)C(=O)c1c[nH]c2ccccc12 | 10.1021/jm0509851 | |||
| CHEMBL202604 | 74413 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 415 | 6 | 2 | 3 | 3.8 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)C(=O)c1c[nH]c2ccccc12 | 10.1021/jm0509851 | |||
| 23542099 | 117226 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 592 | 12 | 1 | 5 | 6.3 | CCCCN(Cc1ccccc1)C[C@H](O)CN1CN(c2ccc(F)cc2)C2(CCN(CC3CCCCCCC3)CC2)C1=O | 10.1016/j.bmcl.2014.12.015 | |||
| CHEMBL3394742 | 117226 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 592 | 12 | 1 | 5 | 6.3 | CCCCN(Cc1ccccc1)C[C@H](O)CN1CN(c2ccc(F)cc2)C2(CCN(CC3CCCCCCC3)CC2)C1=O | 10.1016/j.bmcl.2014.12.015 | |||
| 44407112 | 73936 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 454 | 8 | 1 | 3 | 5.5 | O=C(Cc1cccc(Oc2ccccc2)c1)NCCCN1CCC2(CCc3ccccc32)CC1 | 10.1021/jm0509851 | |||
| CHEMBL202091 | 73936 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 454 | 8 | 1 | 3 | 5.5 | O=C(Cc1cccc(Oc2ccccc2)c1)NCCCN1CCC2(CCc3ccccc32)CC1 | 10.1021/jm0509851 | |||
| 10948527 | 111353 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 365 | 3 | 1 | 5 | 2.3 | O=C1NCN(c2ccccc2)C12CCN(Cc1ccc3c(c1)OCO3)CC2 | 10.1021/jm010878g | |||
| CHEMBL326962 | 111353 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 365 | 3 | 1 | 5 | 2.3 | O=C1NCN(c2ccccc2)C12CCN(Cc1ccc3c(c1)OCO3)CC2 | 10.1021/jm010878g | |||
| 52916358 | 60909 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 874 | 17 | 4 | 10 | 10.5 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(/C=N/CCCC/N=C/c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762374 | 60909 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 874 | 17 | 4 | 10 | 10.5 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(/C=N/CCCC/N=C/c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 44404721 | 72191 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 426 | 3 | 0 | 4 | 4.0 | COC(=O)CN1C(=O)C2(CCN(c3ccc4c5c(cccc35)CC4)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL198046 | 72191 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 426 | 3 | 0 | 4 | 4.0 | COC(=O)CN1C(=O)C2(CCN(c3ccc4c5c(cccc35)CC4)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| 11523972 | 166162 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 390 | 8 | 1 | 2 | 4.5 | O=C(CCCc1ccccc1)NCCCN1CCC2(CCc3ccccc32)CC1 | 10.1021/jm0509851 | |||
| CHEMBL426303 | 166162 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 390 | 8 | 1 | 2 | 4.5 | O=C(CCCc1ccccc1)NCCCN1CCC2(CCc3ccccc32)CC1 | 10.1021/jm0509851 | |||
| 44143406 | 187497 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 407 | 5 | 1 | 3 | 6.3 | Cc1c(CNC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL494230 | 187497 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 407 | 5 | 1 | 3 | 6.3 | Cc1c(CNC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.04.116 | |||
| 44143424 | 192724 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 415 | 5 | 1 | 5 | 5.0 | Cc1ccc(-c2c(C)c(CNC3CCCC3)nn2-c2ncccc2C(F)(F)F)cn1 | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL522021 | 192724 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 415 | 5 | 1 | 5 | 5.0 | Cc1ccc(-c2c(C)c(CNC3CCCC3)nn2-c2ncccc2C(F)(F)F)cn1 | 10.1016/j.bmcl.2009.04.116 | |||
| 44407048 | 73937 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 415 | 7 | 2 | 2 | 4.6 | O=C(CCc1c[nH]c2ccccc12)NCCCN1CCC2(CCc3ccccc32)CC1 | 10.1021/jm0509851 | |||
| CHEMBL202094 | 73937 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 415 | 7 | 2 | 2 | 4.6 | O=C(CCc1c[nH]c2ccccc12)NCCCN1CCC2(CCc3ccccc32)CC1 | 10.1021/jm0509851 | |||
| 15983063 | 141339 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 328 | 4 | 0 | 4 | 2.0 | COC(=O)CN1C(=O)C2(CCN(CC3CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL383561 | 141339 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 328 | 4 | 0 | 4 | 2.0 | COC(=O)CN1C(=O)C2(CCN(CC3CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| 44404699 | 168788 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.7 | Cc1cccc2c1C1(CCN(CC3CCCCCCC3)CC1)C(=O)N2C | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL437505 | 168788 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.7 | Cc1cccc2c1C1(CCN(CC3CCCCCCC3)CC1)C(=O)N2C | 10.1016/j.bmcl.2005.08.009 | |||
| 118726272 | 117238 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 553 | 8 | 1 | 5 | 6.1 | Cc1cccc(SC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)c1 | 10.1016/j.bmcl.2014.12.015 | |||
| CHEMBL3394754 | 117238 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 553 | 8 | 1 | 5 | 6.1 | Cc1cccc(SC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)c1 | 10.1016/j.bmcl.2014.12.015 | |||
| 44143415 | 178784 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 400 | 5 | 1 | 4 | 5.6 | Cc1c(CNC2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1cccnc1 | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL468937 | 178784 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 400 | 5 | 1 | 4 | 5.6 | Cc1c(CNC2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1cccnc1 | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL384866 | 212337 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(N)=O | 10.1021/jm010092i | |||||
| 11406629 | 141336 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 389 | 3 | 1 | 3 | 4.1 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCC[C@@H]1c1ccccc1)CC2 | 10.1016/j.bmcl.2005.09.075 | |||
| CHEMBL383539 | 141336 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 389 | 3 | 1 | 3 | 4.1 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCC[C@@H]1c1ccccc1)CC2 | 10.1016/j.bmcl.2005.09.075 | |||
| 44574003 | 178501 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 394 | 4 | 1 | 5 | 4.2 | CC(=O)CN1CCN(c2cc3[nH]c(SC(C)(C)C)nc3cc2Cl)C(C)C1 | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL466631 | 178501 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 394 | 4 | 1 | 5 | 4.2 | CC(=O)CN1CCN(c2cc3[nH]c(SC(C)(C)C)nc3cc2Cl)C(C)C1 | 10.1016/j.bmcl.2009.04.022 | |||
| 10937901 | 9908 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 385 | 3 | 1 | 6 | 4.0 | Oc1nc2ccccc2n1C1CCN(Cc2cc3c(cc2Cl)OCO3)CC1 | 10.1021/jm010878g | |||
| CHEMBL114379 | 9908 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 385 | 3 | 1 | 6 | 4.0 | Oc1nc2ccccc2n1C1CCN(Cc2cc3c(cc2Cl)OCO3)CC1 | 10.1021/jm010878g | |||
| 44404652 | 72574 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 326 | 2 | 1 | 2 | 4.3 | O=C1Nc2ccccc2C12CCN(CC1CCCCCCC1)CC2 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL199248 | 72574 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 326 | 2 | 1 | 2 | 4.3 | O=C1Nc2ccccc2C12CCN(CC1CCCCCCC1)CC2 | 10.1016/j.bmcl.2005.08.009 | |||
| 44406540 | 73008 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 439 | 3 | 2 | 4 | 3.9 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1cccc(Cl)c1)CC2 | 10.1016/j.bmcl.2005.09.067 | |||
| CHEMBL200882 | 73008 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 439 | 3 | 2 | 4 | 3.9 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCC[C@@]1(O)c1cccc(Cl)c1)CC2 | 10.1016/j.bmcl.2005.09.067 | |||
| CHEMBL406010 | 212589 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm010092i | |||||
| 44143419 | 187603 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 381 | 5 | 1 | 5 | 4.6 | Cc1ccc(-c2c(C)c(CNC3CCCC3)nn2-c2ncccc2Cl)cn1 | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL494767 | 187603 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 381 | 5 | 1 | 5 | 4.6 | Cc1ccc(-c2c(C)c(CNC3CCCC3)nn2-c2ncccc2Cl)cn1 | 10.1016/j.bmcl.2009.04.116 | |||
| 118726262 | 117228 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 610 | 12 | 2 | 7 | 5.3 | COc1ccc(CNC[C@@H](O)CN2CN(c3ccccc3)C3(CCN(CCc4ccccc4-c4cccs4)CC3)C2=O)cc1 | 10.1016/j.bmcl.2014.12.015 | |||
| CHEMBL3394744 | 117228 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 610 | 12 | 2 | 7 | 5.3 | COc1ccc(CNC[C@@H](O)CN2CN(c3ccccc3)C3(CCN(CCc4ccccc4-c4cccs4)CC3)C2=O)cc1 | 10.1016/j.bmcl.2014.12.015 | |||
| 45268355 | 196238 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 320 | 4 | 1 | 4 | 3.2 | Cc1ncc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2C)cc1F | 10.1016/j.bmcl.2009.06.051 | |||
| CHEMBL561732 | 196238 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 320 | 4 | 1 | 4 | 3.2 | Cc1ncc(-c2c(C)c(CN[C@H]3CC[C@@H](F)C3)nn2C)cc1F | 10.1016/j.bmcl.2009.06.051 | |||
| 44143446 | 178454 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 4.5 | CCOC(=O)N1CCC(C)(Sc2nc3cc(Cl)c(N4CCN(CC)CC4)cc3[nH]2)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL466222 | 178454 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 4.5 | CCOC(=O)N1CCC(C)(Sc2nc3cc(Cl)c(N4CCN(CC)CC4)cc3[nH]2)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| 10763594 | 161275 | 1 | None | 120 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 401 | 2 | 1 | 3 | 4.4 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CC[C@H]3CCCc4cccc1c43)CC2 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL412098 | 161275 | 1 | None | 120 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 401 | 2 | 1 | 3 | 4.4 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CC[C@H]3CCCc4cccc1c43)CC2 | 10.1016/j.ejmech.2011.01.040 | |||
| 17858448 | 95956 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 322 | 5 | 2 | 4 | 3.4 | CCC(CC)Sc1nc2cc(F)c(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL259452 | 95956 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 322 | 5 | 2 | 4 | 3.4 | CCC(CC)Sc1nc2cc(F)c(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| 45269357 | 196188 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 409 | 6 | 1 | 5 | 5.4 | Cc1ccc(-n2c(-c3ncccc3Cl)nc(CNC3CCCC3)c2C(C)C)cn1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL561396 | 196188 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 409 | 6 | 1 | 5 | 5.4 | Cc1ccc(-n2c(-c3ncccc3Cl)nc(CNC3CCCC3)c2C(C)C)cn1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL424934 | 213325 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC1=O | 10.1021/jm010092i | |||||
| 135458466 | 79520 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 422 | 5 | 1 | 6 | 3.8 | CN1CCN(c2[nH]ccc3nc(-c4nc(CCc5ccc(Cl)cc5)no4)cc2-3)CC1 | 10.1016/j.bmcl.2006.03.086 | |||
| CHEMBL211390 | 79520 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 422 | 5 | 1 | 6 | 3.8 | CN1CCN(c2[nH]ccc3nc(-c4nc(CCc5ccc(Cl)cc5)no4)cc2-3)CC1 | 10.1016/j.bmcl.2006.03.086 | |||
| 118726270 | 117236 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 546 | 9 | 2 | 6 | 4.8 | CC(C)(C)NC[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O | 10.1016/j.bmcl.2014.12.015 | |||
| CHEMBL3394752 | 117236 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 546 | 9 | 2 | 6 | 4.8 | CC(C)(C)NC[C@@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O | 10.1016/j.bmcl.2014.12.015 | |||
| 44406719 | 166094 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 423 | 3 | 1 | 3 | 4.8 | O=C1NCN(c2ccc(Cl)cc2)C12CCN([C@H]1CCCC[C@H]1c1ccccc1)CC2 | 10.1016/j.bmcl.2005.09.075 | |||
| CHEMBL425929 | 166094 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 423 | 3 | 1 | 3 | 4.8 | O=C1NCN(c2ccc(Cl)cc2)C12CCN([C@H]1CCCC[C@H]1c1ccccc1)CC2 | 10.1016/j.bmcl.2005.09.075 | |||
| 52915514 | 60939 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 552 | 16 | 3 | 5 | 8.2 | CCCCCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762404 | 60939 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 552 | 16 | 3 | 5 | 8.2 | CCCCCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| 136043824 | 79929 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 396 | 7 | 1 | 5 | 4.6 | CN(C)CCc1cccc2[nH]c(-c3nc(COc4ccc(Cl)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| CHEMBL212520 | 79929 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 396 | 7 | 1 | 5 | 4.6 | CN(C)CCc1cccc2[nH]c(-c3nc(COc4ccc(Cl)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| 10905740 | 110668 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 413 | 3 | 1 | 6 | 2.9 | O=c1[nH]c2ccccc2n(C2CCN(Cc3cc4c(cc3Cl)OCO4)CC2)c1=O | 10.1021/jm010878g | |||
| CHEMBL325945 | 110668 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 413 | 3 | 1 | 6 | 2.9 | O=c1[nH]c2ccccc2n(C2CCN(Cc3cc4c(cc3Cl)OCO4)CC2)c1=O | 10.1021/jm010878g | |||
| 136043756 | 78381 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 378 | 7 | 1 | 4 | 4.7 | CN(C)CCc1cccc2[nH]c(-c3nc(CCC4CC5CCC4C5)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| CHEMBL211053 | 78381 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 378 | 7 | 1 | 4 | 4.7 | CN(C)CCc1cccc2[nH]c(-c3nc(CCC4CC5CCC4C5)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| 136043767 | 79730 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 352 | 6 | 1 | 4 | 4.4 | CN(C)CCc1cccc2[nH]c(-c3nc(CC4CCCCC4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| CHEMBL211617 | 79730 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 352 | 6 | 1 | 4 | 4.4 | CN(C)CCc1cccc2[nH]c(-c3nc(CC4CCCCC4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| 44456216 | 155398 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 979 | 32 | 15 | 11 | -0.3 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)CC)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | |||
| CHEMBL403588 | 155398 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 979 | 32 | 15 | 11 | -0.3 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)CC)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | |||
| 44404698 | 132739 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.7 | Cc1ccc2c(c1)C1(CCN(CC3CCCCCCC3)CC1)C(=O)N2C | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL369945 | 132739 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.7 | Cc1ccc2c(c1)C1(CCN(CC3CCCCCCC3)CC1)C(=O)N2C | 10.1016/j.bmcl.2005.08.009 | |||
| 136043795 | 78082 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 378 | 7 | 1 | 4 | 4.2 | CN(C)CCc1cccc2[nH]c(-c3nc(CCc4ccc(F)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| CHEMBL210140 | 78082 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 378 | 7 | 1 | 4 | 4.2 | CN(C)CCc1cccc2[nH]c(-c3nc(CCc4ccc(F)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| 136043817 | 79838 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 380 | 6 | 1 | 4 | 4.6 | CN(C)CCc1cccc2[nH]c(-c3nc(Cc4ccc(Cl)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| CHEMBL212161 | 79838 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 380 | 6 | 1 | 4 | 4.6 | CN(C)CCc1cccc2[nH]c(-c3nc(Cc4ccc(Cl)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| 11525624 | 133537 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 431 | 7 | 1 | 3 | 4.1 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@@H]1CCCN1Cc1ccccc1 | 10.1021/jm0509851 | |||
| CHEMBL370870 | 133537 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 431 | 7 | 1 | 3 | 4.1 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@@H]1CCCN1Cc1ccccc1 | 10.1021/jm0509851 | |||
| 44456298 | 168801 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 979 | 33 | 15 | 11 | -0.3 | CCCC(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC | 10.1016/j.bmc.2007.11.043 | |||
| CHEMBL437601 | 168801 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 979 | 33 | 15 | 11 | -0.3 | CCCC(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC | 10.1016/j.bmc.2007.11.043 | |||
| 44404694 | 72395 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 414 | 4 | 0 | 4 | 3.9 | COC(=O)CN1C(=O)C2(CCN(Cc3cccc4ccccc34)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL198678 | 72395 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 414 | 4 | 0 | 4 | 3.9 | COC(=O)CN1C(=O)C2(CCN(Cc3cccc4ccccc34)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| 52916267 | 60908 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 860 | 16 | 4 | 10 | 10.2 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(/C=N/CCC/N=C/c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762373 | 60908 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 860 | 16 | 4 | 10 | 10.2 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(/C=N/CCC/N=C/c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 52915392 | 60937 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 524 | 14 | 3 | 5 | 7.4 | CCCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762402 | 60937 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 524 | 14 | 3 | 5 | 7.4 | CCCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| 136043800 | 77788 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 5.1 | CN(C)CCc1cccc2[nH]c(-c3nc(CCc4ccc(C(F)(F)F)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| CHEMBL209213 | 77788 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 5.1 | CN(C)CCc1cccc2[nH]c(-c3nc(CCc4ccc(C(F)(F)F)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| 155533462 | 171831 | 0 | None | 15 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.8 | CCn1c(=O)n([C@@H]2CCN(C3CCCCCCC3)C[C@H]2CO)c2ccccc21 | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL4468676 | 171831 | 0 | None | 15 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.8 | CCn1c(=O)n([C@@H]2CCN(C3CCCCCCC3)C[C@H]2CO)c2ccccc21 | 10.1021/acs.jmedchem.5b01499 | |||
| 11191683 | 60907 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 524 | 13 | 0 | 4 | 6.6 | CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)C(=O)N(CCCCCCCCCN(C)C)CN3c2ccccc2)CC1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762372 | 60907 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 524 | 13 | 0 | 4 | 6.6 | CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)C(=O)N(CCCCCCCCCN(C)C)CN3c2ccccc2)CC1 | 10.1016/j.ejmech.2011.01.040 | |||
| 10199945 | 96684 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 3.6 | CCC(C)(C)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL263919 | 96684 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 382 | 6 | 2 | 5 | 3.6 | CCC(C)(C)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| 44456101 | 97832 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 965 | 33 | 15 | 11 | -0.5 | CCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC | 10.1016/j.bmc.2007.11.043 | |||
| CHEMBL272084 | 97832 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 965 | 33 | 15 | 11 | -0.5 | CCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC | 10.1016/j.bmc.2007.11.043 | |||
| 44143434 | 178514 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 461 | 5 | 2 | 6 | 3.8 | CCN1CCN(c2cc3[nH]c(C(=O)[C@]4(C)CC[C@@H](NC(=O)OC)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.023 | |||
| CHEMBL466702 | 178514 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 461 | 5 | 2 | 6 | 3.8 | CCN1CCN(c2cc3[nH]c(C(=O)[C@]4(C)CC[C@@H](NC(=O)OC)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.023 | |||
| 10832076 | 38049 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 355 | 3 | 1 | 4 | 4.8 | CC(c1ccccc1Cl)N1CCC(n2c(O)nc3ccccc32)CC1 | 10.1021/jm990517p | |||
| CHEMBL146054 | 38049 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 355 | 3 | 1 | 4 | 4.8 | CC(c1ccccc1Cl)N1CCC(n2c(O)nc3ccccc32)CC1 | 10.1021/jm990517p | |||
| 44407129 | 74026 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 445 | 7 | 1 | 3 | 3.7 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@H]1CCC(=O)N1Cc1ccccc1 | 10.1021/jm0509851 | |||
| CHEMBL202204 | 74026 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 445 | 7 | 1 | 3 | 3.7 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@H]1CCC(=O)N1Cc1ccccc1 | 10.1021/jm0509851 | |||
| 52916359 | 60910 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 888 | 18 | 4 | 10 | 10.9 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(/C=N/CCCCC/N=C/c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762375 | 60910 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 888 | 18 | 4 | 10 | 10.9 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(/C=N/CCCCC/N=C/c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 45270203 | 196448 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 483 | 7 | 1 | 3 | 7.5 | FC(F)Cn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL563073 | 196448 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 483 | 7 | 1 | 3 | 7.5 | FC(F)Cn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| 15982524 | 166280 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 384 | 4 | 0 | 4 | 3.5 | COC(=O)CN1C(=O)C2(CCN(CC3CCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL427010 | 166280 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 384 | 4 | 0 | 4 | 3.5 | COC(=O)CN1C(=O)C2(CCN(CC3CCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| 45271862 | 195127 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 433 | 5 | 1 | 3 | 6.7 | Cn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL550117 | 195127 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 433 | 5 | 1 | 3 | 6.7 | Cn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| 44143414 | 178783 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 400 | 5 | 1 | 4 | 5.6 | Cc1c(CNC2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccn1 | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL468936 | 178783 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 400 | 5 | 1 | 4 | 5.6 | Cc1c(CNC2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccn1 | 10.1016/j.bmcl.2009.04.116 | |||
| 45270196 | 195393 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 473 | 6 | 1 | 3 | 7.9 | Clc1ccc(-c2c(-c3ccc(Cl)cc3Cl)nc(CNC3CCCC3)n2C2CCC2)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL552011 | 195393 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 473 | 6 | 1 | 3 | 7.9 | Clc1ccc(-c2c(-c3ccc(Cl)cc3Cl)nc(CNC3CCCC3)n2C2CCC2)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| 11559820 | 165969 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 374 | 6 | 1 | 2 | 4.2 | O=C(/C=C/c1ccccc1)NCCCN1CCC2(CCc3ccccc32)CC1 | 10.1021/jm0509851 | |||
| CHEMBL425225 | 165969 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 374 | 6 | 1 | 2 | 4.2 | O=C(/C=C/c1ccccc1)NCCCN1CCC2(CCc3ccccc32)CC1 | 10.1021/jm0509851 | |||
| 45270202 | 195449 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 7.9 | CC(C)Cn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL552417 | 195449 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 7.9 | CC(C)Cn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| 44450210 | 96216 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 410 | 4 | 2 | 4 | 4.7 | Fc1cc2nc(SCc3c(Cl)cccc3Cl)[nH]c2cc1N1CCNCC1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL260822 | 96216 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 410 | 4 | 2 | 4 | 4.7 | Fc1cc2nc(SCc3c(Cl)cccc3Cl)[nH]c2cc1N1CCNCC1 | 10.1016/j.bmcl.2008.04.054 | |||
| 52916599 | 60917 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 878 | 19 | 6 | 10 | 9.9 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762382 | 60917 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 878 | 19 | 6 | 10 | 9.9 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 44143412 | 178456 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 433 | 4 | 0 | 3 | 6.8 | Cc1c(CN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL466226 | 178456 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 433 | 4 | 0 | 3 | 6.8 | Cc1c(CN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.04.116 | |||
| 136043797 | 77492 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 390 | 8 | 1 | 5 | 4.1 | COc1ccc(CCc2noc(-c3cc4c(CCN(C)C)cccc4[nH]3)n2)cc1 | 10.1016/j.bmcl.2006.03.086 | |||
| CHEMBL208725 | 77492 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 390 | 8 | 1 | 5 | 4.1 | COc1ccc(CCc2noc(-c3cc4c(CCN(C)C)cccc4[nH]3)n2)cc1 | 10.1016/j.bmcl.2006.03.086 | |||
| 136043781 | 77998 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 420 | 7 | 1 | 4 | 5.3 | Clc1ccc(CCc2noc(-c3cc4c(CCN5CCCC5)cccc4[nH]3)n2)cc1 | 10.1016/j.bmcl.2006.03.086 | |||
| CHEMBL209728 | 77998 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 420 | 7 | 1 | 4 | 5.3 | Clc1ccc(CCc2noc(-c3cc4c(CCN5CCCC5)cccc4[nH]3)n2)cc1 | 10.1016/j.bmcl.2006.03.086 | |||
| 136043779 | 78111 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 408 | 8 | 1 | 4 | 5.2 | CCN(C)CCc1cccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| CHEMBL210292 | 78111 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 408 | 8 | 1 | 4 | 5.2 | CCN(C)CCc1cccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| 11676849 | 73514 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 454 | 7 | 2 | 3 | 4.9 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1C(O)c1ccccc1 | 10.1021/jm0509851 | |||
| CHEMBL201694 | 73514 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 454 | 7 | 2 | 3 | 4.9 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1C(O)c1ccccc1 | 10.1021/jm0509851 | |||
| 136043765 | 79725 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 352 | 7 | 1 | 4 | 4.4 | CN(C)CCc1cccc2[nH]c(-c3nc(CCC4CCCC4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| CHEMBL211592 | 79725 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 352 | 7 | 1 | 4 | 4.4 | CN(C)CCc1cccc2[nH]c(-c3nc(CCC4CCCC4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| 44406550 | 136050 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 435 | 4 | 2 | 5 | 3.3 | COc1cccc([C@]2(O)CCCC[C@H]2N2CCC3(CC2)C(=O)NCN3c2ccccc2)c1 | 10.1016/j.bmcl.2005.09.067 | |||
| CHEMBL373198 | 136050 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 435 | 4 | 2 | 5 | 3.3 | COc1cccc([C@]2(O)CCCC[C@H]2N2CCC3(CC2)C(=O)NCN3c2ccccc2)c1 | 10.1016/j.bmcl.2005.09.067 | |||
| 44450208 | 96214 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 410 | 4 | 2 | 4 | 4.7 | Fc1cc2nc(SCc3cccc(Cl)c3Cl)[nH]c2cc1N1CCNCC1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL260820 | 96214 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 410 | 4 | 2 | 4 | 4.7 | Fc1cc2nc(SCc3cccc(Cl)c3Cl)[nH]c2cc1N1CCNCC1 | 10.1016/j.bmcl.2008.04.054 | |||
| 45270082 | 195243 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 323 | 4 | 1 | 3 | 3.7 | Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2009.06.051 | |||
| CHEMBL551002 | 195243 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 323 | 4 | 1 | 3 | 3.7 | Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1ccc(F)c(F)c1 | 10.1016/j.bmcl.2009.06.051 | |||
| 10451761 | 37999 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 369 | 4 | 0 | 4 | 4.8 | CCn1c(=O)n(C2CCN(CC3CCCCCCC3)CC2)c2ccccc21 | 10.1021/jm990517p | |||
| CHEMBL146013 | 37999 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 369 | 4 | 0 | 4 | 4.8 | CCn1c(=O)n(C2CCN(CC3CCCCCCC3)CC2)c2ccccc21 | 10.1021/jm990517p | |||
| 10783436 | 38199 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 341 | 3 | 1 | 4 | 4.7 | Oc1nc2ccccc2n1C1CCN(CC2CCCCCCC2)CC1 | 10.1021/jm990517p | |||
| CHEMBL146191 | 38199 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 341 | 3 | 1 | 4 | 4.7 | Oc1nc2ccccc2n1C1CCN(CC2CCCCCCC2)CC1 | 10.1021/jm990517p | |||
| 44143452 | 178735 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 470 | 5 | 1 | 6 | 4.2 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](S(C)(=O)=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL468524 | 178735 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 470 | 5 | 1 | 6 | 4.2 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](S(C)(=O)=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| 15982530 | 72371 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 408 | 2 | 0 | 2 | 5.4 | CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL198600 | 72371 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 408 | 2 | 0 | 2 | 5.4 | CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| 136043792 | 77371 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 394 | 7 | 1 | 4 | 4.8 | CN(C)CCc1cccc2[nH]c(-c3noc(CCc4ccc(Cl)cc4)n3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| CHEMBL208603 | 77371 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 394 | 7 | 1 | 4 | 4.8 | CN(C)CCc1cccc2[nH]c(-c3noc(CCc4ccc(Cl)cc4)n3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| 44406489 | 141349 | 7 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 389 | 3 | 1 | 3 | 4.1 | O=C1NCN(c2ccccc2)C12CCN([C@H]1CCCC[C@H]1c1ccccc1)CC2 | 10.1016/j.bmcl.2005.09.067 | |||
| 44406489 | 141349 | 7 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 389 | 3 | 1 | 3 | 4.1 | O=C1NCN(c2ccccc2)C12CCN([C@H]1CCCC[C@H]1c1ccccc1)CC2 | 10.1016/j.bmcl.2005.09.075 | |||
| 44406489 | 141349 | 7 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 389 | 3 | 1 | 3 | 4.1 | O=C1NCN(c2ccccc2)C12CCN([C@H]1CCCC[C@H]1c1ccccc1)CC2 | 10.1016/j.bmcl.2006.05.064 | |||
| CHEMBL383610 | 141349 | 7 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 389 | 3 | 1 | 3 | 4.1 | O=C1NCN(c2ccccc2)C12CCN([C@H]1CCCC[C@H]1c1ccccc1)CC2 | 10.1016/j.bmcl.2005.09.067 | |||
| CHEMBL383610 | 141349 | 7 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 389 | 3 | 1 | 3 | 4.1 | O=C1NCN(c2ccccc2)C12CCN([C@H]1CCCC[C@H]1c1ccccc1)CC2 | 10.1016/j.bmcl.2005.09.075 | |||
| CHEMBL383610 | 141349 | 7 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 389 | 3 | 1 | 3 | 4.1 | O=C1NCN(c2ccccc2)C12CCN([C@H]1CCCC[C@H]1c1ccccc1)CC2 | 10.1016/j.bmcl.2006.05.064 | |||
| 15965865 | 138361 | 5 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 389 | 3 | 1 | 3 | 4.1 | O=C1NCN(c2ccccc2)C12CCN(C1CCCCC1c1ccccc1)CC2 | 10.1016/j.bmcl.2006.05.058 | |||
| CHEMBL377140 | 138361 | 5 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 389 | 3 | 1 | 3 | 4.1 | O=C1NCN(c2ccccc2)C12CCN(C1CCCCC1c1ccccc1)CC2 | 10.1016/j.bmcl.2006.05.058 | |||
| 118726261 | 117227 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 610 | 12 | 2 | 7 | 5.3 | COc1ccc(CNC[C@H](O)CN2CN(c3ccccc3)C3(CCN(CCc4ccccc4-c4cccs4)CC3)C2=O)cc1 | 10.1016/j.bmcl.2014.12.015 | |||
| CHEMBL3394743 | 117227 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 610 | 12 | 2 | 7 | 5.3 | COc1ccc(CNC[C@H](O)CN2CN(c3ccccc3)C3(CCN(CCc4ccccc4-c4cccs4)CC3)C2=O)cc1 | 10.1016/j.bmcl.2014.12.015 | |||
| 44143441 | 178472 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 377 | 3 | 1 | 5 | 4.1 | C[C@@H]1CN(CC#N)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL466427 | 178472 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 377 | 3 | 1 | 5 | 4.1 | C[C@@H]1CN(CC#N)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl | 10.1016/j.bmcl.2009.04.022 | |||
| 44143417 | 187212 | 12 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 367 | 5 | 1 | 5 | 4.3 | Cc1c(CNC2CCCC2)nn(-c2ncccc2Cl)c1-c1cccnc1 | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL492396 | 187212 | 12 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 367 | 5 | 1 | 5 | 4.3 | Cc1c(CNC2CCCC2)nn(-c2ncccc2Cl)c1-c1cccnc1 | 10.1016/j.bmcl.2009.04.116 | |||
| 11372671 | 138365 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 388 | 3 | 1 | 2 | 4.8 | O=C1NCC(c2ccccc2)C12CCN(C1(c3ccccc3)CCCCC1)CC2 | 10.1016/j.bmcl.2006.05.063 | |||
| CHEMBL377164 | 138365 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 388 | 3 | 1 | 2 | 4.8 | O=C1NCC(c2ccccc2)C12CCN(C1(c3ccccc3)CCCCC1)CC2 | 10.1016/j.bmcl.2006.05.063 | |||
| 136043782 | 138662 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 380 | 6 | 1 | 4 | 4.7 | CN(C)Cc1cccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| CHEMBL377736 | 138662 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 380 | 6 | 1 | 4 | 4.7 | CN(C)Cc1cccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| 136043788 | 139341 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 420 | 5 | 1 | 4 | 5.5 | CN1CCC(c2cccc3[nH]c(-c4nc(CCc5ccc(Cl)cc5)no4)cc23)CC1 | 10.1016/j.bmcl.2006.03.086 | |||
| CHEMBL379284 | 139341 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 420 | 5 | 1 | 4 | 5.5 | CN1CCC(c2cccc3[nH]c(-c4nc(CCc5ccc(Cl)cc5)no4)cc23)CC1 | 10.1016/j.bmcl.2006.03.086 | |||
| 45270174 | 195195 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 419 | 5 | 1 | 3 | 6.5 | Clc1ccc(-c2nc(CNC3CCCC3)cn2-c2ccc(Cl)cc2Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL550601 | 195195 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 419 | 5 | 1 | 3 | 6.5 | Clc1ccc(-c2nc(CNC3CCCC3)cn2-c2ccc(Cl)cc2Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| 44449822 | 95866 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 360 | 4 | 2 | 4 | 3.5 | Fc1ccc(CSc2nc3cc(F)c(N4CCNCC4)cc3[nH]2)cc1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL259065 | 95866 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 360 | 4 | 2 | 4 | 3.5 | Fc1ccc(CSc2nc3cc(F)c(N4CCNCC4)cc3[nH]2)cc1 | 10.1016/j.bmcl.2008.04.054 | |||
| 52916470 | 60912 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 916 | 20 | 4 | 10 | 11.7 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(/C=N/CCCCCCC/N=C/c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762377 | 60912 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 916 | 20 | 4 | 10 | 11.7 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(/C=N/CCCCCCC/N=C/c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 44407013 | 74407 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 430 | 6 | 1 | 2 | 5.4 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)C1(c2ccccc2)CCCCC1 | 10.1021/jm0509851 | |||
| CHEMBL202575 | 74407 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 430 | 6 | 1 | 2 | 5.4 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)C1(c2ccccc2)CCCCC1 | 10.1021/jm0509851 | |||
| 44143440 | 178653 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 420 | 3 | 1 | 4 | 5.2 | C[C@@H]1CN(CC(F)(F)F)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL467669 | 178653 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 420 | 3 | 1 | 4 | 5.2 | C[C@@H]1CN(CC(F)(F)F)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl | 10.1016/j.bmcl.2009.04.022 | |||
| 52915391 | 60936 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 510 | 13 | 3 | 5 | 7.0 | CCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762401 | 60936 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 510 | 13 | 3 | 5 | 7.0 | CCCCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| 44143420 | 187604 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 395 | 6 | 1 | 5 | 4.9 | CCc1ccc(-c2c(C)c(CNC3CCCC3)nn2-c2ncccc2Cl)cn1 | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL494768 | 187604 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 395 | 6 | 1 | 5 | 4.9 | CCc1ccc(-c2c(C)c(CNC3CCCC3)nn2-c2ncccc2Cl)cn1 | 10.1016/j.bmcl.2009.04.116 | |||
| 15982526 | 72081 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 422 | 4 | 0 | 2 | 6.3 | O=C1N(CC2CCCCC2)c2ccccc2C12CCN(CC1CCCCCCC1)CC2 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL197735 | 72081 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 422 | 4 | 0 | 2 | 6.3 | O=C1N(CC2CCCCC2)c2ccccc2C12CCN(CC1CCCCCCC1)CC2 | 10.1016/j.bmcl.2005.08.009 | |||
| 44143427 | 189484 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.6 | Cc1ccc(-c2c(C)c(CNC3CCCC3F)nn2-c2ncccc2Cl)cn1 | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL513855 | 189484 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.6 | Cc1ccc(-c2c(C)c(CNC3CCCC3F)nn2-c2ncccc2Cl)cn1 | 10.1016/j.bmcl.2009.04.116 | |||
| 44143454 | 189173 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 474 | 5 | 1 | 8 | 4.1 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](c5nnnn5C)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL511205 | 189173 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 474 | 5 | 1 | 8 | 4.1 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](c5nnnn5C)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| 44456028 | 155597 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 965 | 32 | 15 | 11 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | |||
| CHEMBL404530 | 155597 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 965 | 32 | 15 | 11 | -0.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2007.11.043 | |||
| 44517710 | 196521 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 393 | 8 | 1 | 4 | 5.0 | COCCc1nc(CN[C@H]2CC[C@@H](F)C2)n(C(C)C)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL563593 | 196521 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 393 | 8 | 1 | 4 | 5.0 | COCCc1nc(CN[C@H]2CC[C@@H](F)C2)n(C(C)C)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| 44406539 | 135173 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 435 | 4 | 2 | 5 | 3.3 | COc1ccc([C@]2(O)CCCC[C@H]2N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 | 10.1016/j.bmcl.2005.09.067 | |||
| CHEMBL371966 | 135173 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 435 | 4 | 2 | 5 | 3.3 | COc1ccc([C@]2(O)CCCC[C@H]2N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 | 10.1016/j.bmcl.2005.09.067 | |||
| 136043759 | 78707 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 380 | 8 | 1 | 4 | 5.2 | CN(C)CCc1cccc2[nH]c(-c3nc(CCCC4CCCCC4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| CHEMBL211254 | 78707 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 380 | 8 | 1 | 4 | 5.2 | CN(C)CCc1cccc2[nH]c(-c3nc(CCCC4CCCCC4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| 52916713 | 60919 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 906 | 21 | 6 | 10 | 10.7 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762384 | 60919 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 906 | 21 | 6 | 10 | 10.7 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 44404693 | 136091 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 398 | 4 | 0 | 4 | 3.4 | COC(=O)CN1C(=O)C2(CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL373222 | 136091 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 398 | 4 | 0 | 4 | 3.4 | COC(=O)CN1C(=O)C2(CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| 44143425 | 187528 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 425 | 6 | 1 | 7 | 3.4 | Cc1ccc(-c2c(C)c(CNC3CCCC3)nn2-c2ncccc2S(C)(=O)=O)cn1 | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL494414 | 187528 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 425 | 6 | 1 | 7 | 3.4 | Cc1ccc(-c2c(C)c(CNC3CCCC3)nn2-c2ncccc2S(C)(=O)=O)cn1 | 10.1016/j.bmcl.2009.04.116 | |||
| 44576626 | 193364 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 410 | 7 | 2 | 5 | 4.4 | CCC(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)C(C)(C)C3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.037 | |||
| CHEMBL525054 | 193364 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 410 | 7 | 2 | 5 | 4.4 | CCC(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)C(C)(C)C3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.037 | |||
| 11603249 | 73188 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 376 | 7 | 1 | 2 | 4.1 | O=C(CCc1ccccc1)NCCCN1CCC2(CCc3ccccc32)CC1 | 10.1021/jm0509851 | |||
| CHEMBL201181 | 73188 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 376 | 7 | 1 | 2 | 4.1 | O=C(CCc1ccccc1)NCCCN1CCC2(CCc3ccccc32)CC1 | 10.1021/jm0509851 | |||
| 52915389 | 60934 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 482 | 11 | 3 | 5 | 6.2 | CCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762399 | 60934 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 482 | 11 | 3 | 5 | 6.2 | CCCCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| 15982529 | 72140 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 382 | 3 | 0 | 2 | 5.5 | CC(C)c1ccc2c(c1)C1(CCN(CC3CCCCCCC3)CC1)C(=O)N2C | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL197895 | 72140 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 382 | 3 | 0 | 2 | 5.5 | CC(C)c1ccc2c(c1)C1(CCN(CC3CCCCCCC3)CC1)C(=O)N2C | 10.1016/j.bmcl.2005.08.009 | |||
| 44143409 | 178563 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 447 | 5 | 1 | 3 | 7.2 | Cc1c(CNC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL467049 | 178563 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 447 | 5 | 1 | 3 | 7.2 | Cc1c(CNC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.04.116 | |||
| 10981761 | 110636 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 379 | 3 | 1 | 6 | 2.6 | O=C1NCN(c2ccccc2)C12CCN(Cc1ccc3nsnc3c1)CC2 | 10.1021/jm010878g | |||
| CHEMBL325750 | 110636 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 379 | 3 | 1 | 6 | 2.6 | O=C1NCN(c2ccccc2)C12CCN(Cc1ccc3nsnc3c1)CC2 | 10.1021/jm010878g | |||
| 52916712 | 60918 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 892 | 20 | 6 | 10 | 10.3 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762383 | 60918 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 892 | 20 | 6 | 10 | 10.3 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 52916598 | 60916 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 864 | 18 | 6 | 10 | 9.5 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762381 | 60916 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 864 | 18 | 6 | 10 | 9.5 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCNCc4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 44449766 | 155694 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 356 | 4 | 2 | 4 | 3.7 | Cc1ccccc1CSc1nc2cc(F)c(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL405078 | 155694 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 356 | 4 | 2 | 4 | 3.7 | Cc1ccccc1CSc1nc2cc(F)c(N3CCNCC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| 52915516 | 60941 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 483 | 11 | 4 | 6 | 4.8 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCN)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762406 | 60941 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 483 | 11 | 4 | 6 | 4.8 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCN)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 118726266 | 117232 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 586 | 11 | 2 | 7 | 5.3 | O=C1N(C[C@H](O)CNCc2cccs2)CN(c2ccccc2)C12CCN(CCc1ccccc1-c1cccs1)CC2 | 10.1016/j.bmcl.2014.12.015 | |||
| CHEMBL3394748 | 117232 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 586 | 11 | 2 | 7 | 5.3 | O=C1N(C[C@H](O)CNCc2cccs2)CN(c2ccccc2)C12CCN(CCc1ccccc1-c1cccs1)CC2 | 10.1016/j.bmcl.2014.12.015 | |||
| 44576625 | 187496 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 396 | 7 | 2 | 5 | 4.0 | CCC(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)C(C)C3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.037 | |||
| CHEMBL494219 | 187496 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 396 | 7 | 2 | 5 | 4.0 | CCC(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)C(C)C3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.037 | |||
| 11583016 | 74351 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 440 | 7 | 1 | 3 | 5.6 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1Oc1ccccc1 | 10.1021/jm0509851 | |||
| CHEMBL202443 | 74351 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 440 | 7 | 1 | 3 | 5.6 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1Oc1ccccc1 | 10.1021/jm0509851 | |||
| 44178080 | 196078 | 2 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 362 | 6 | 1 | 4 | 4.0 | Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCC#N)c1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.051 | |||
| CHEMBL560667 | 196078 | 2 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 362 | 6 | 1 | 4 | 4.0 | Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCC#N)c1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.051 | |||
| 44143426 | 178710 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 415 | 5 | 1 | 5 | 5.3 | Cc1ccc(-c2c(C)c(CNC3CCCC3)nn2-c2ncc(Cl)cc2Cl)cn1 | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL468307 | 178710 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 415 | 5 | 1 | 5 | 5.3 | Cc1ccc(-c2c(C)c(CNC3CCCC3)nn2-c2ncc(Cl)cc2Cl)cn1 | 10.1016/j.bmcl.2009.04.116 | |||
| 24882570 | 115129 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 981 | 32 | 16 | 12 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2014.09.018 | |||
| CHEMBL3343946 | 115129 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 981 | 32 | 16 | 12 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2014.09.018 | |||
| CHEMBL3343947 | 115129 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 981 | 32 | 16 | 12 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2014.09.018 | |||
| 45273679 | 195633 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 351 | 5 | 1 | 3 | 4.6 | Cc1nc(CN[C@H]2CC[C@@H](F)C2)c(C(C)C)n1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL556300 | 195633 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 351 | 5 | 1 | 3 | 4.6 | Cc1nc(CN[C@H]2CC[C@@H](F)C2)c(C(C)C)n1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL266667 | 210691 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010092i | |||||
| 118726271 | 117237 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 610 | 12 | 2 | 7 | 4.8 | COc1ccc(CCNC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)cc1OC | 10.1016/j.bmcl.2014.12.015 | |||
| CHEMBL3394753 | 117237 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 610 | 12 | 2 | 7 | 4.8 | COc1ccc(CCNC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)cc1OC | 10.1016/j.bmcl.2014.12.015 | |||
| 15983062 | 72212 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 3.1 | COC(=O)CN1C(=O)C2(CCN(CC3CCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL198099 | 72212 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 3.1 | COC(=O)CN1C(=O)C2(CCN(CC3CCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| 23542106 | 117239 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 611 | 12 | 1 | 7 | 5.3 | COc1ccc(CCOC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)cc1OC | 10.1016/j.bmcl.2014.12.015 | |||
| CHEMBL3394755 | 117239 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 611 | 12 | 1 | 7 | 5.3 | COc1ccc(CCOC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)cc1OC | 10.1016/j.bmcl.2014.12.015 | |||
| 52916597 | 60915 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 958 | 23 | 4 | 10 | 12.9 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(/C=N/CCCCCCCCCC/N=C/c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762380 | 60915 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 958 | 23 | 4 | 10 | 12.9 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(/C=N/CCCCCCCCCC/N=C/c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 52916472 | 60914 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 944 | 22 | 4 | 10 | 12.5 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(/C=N/CCCCCCCCC/N=C/c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762379 | 60914 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 944 | 22 | 4 | 10 | 12.5 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(/C=N/CCCCCCCCC/N=C/c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 15982797 | 72238 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 358 | 7 | 0 | 4 | 3.1 | CCCCCCN1CCC2(CC1)C(=O)N(CC(=O)OC)c1ccccc12 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL198167 | 72238 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 358 | 7 | 0 | 4 | 3.1 | CCCCCCN1CCC2(CC1)C(=O)N(CC(=O)OC)c1ccccc12 | 10.1016/j.bmcl.2005.08.009 | |||
| 9887195 | 38541 | 6 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.0 | CCn1c(=O)n([C@H]2CCN(CC3CCCCCCC3)C[C@@H]2CO)c2ccccc21 | 10.1021/jm990517p | |||
| CHEMBL146462 | 38541 | 6 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.0 | CCn1c(=O)n([C@H]2CCN(CC3CCCCCCC3)C[C@@H]2CO)c2ccccc21 | 10.1021/jm990517p | |||
| 44449850 | 161239 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 450 | 6 | 1 | 4 | 5.5 | Fc1ccc(CSc2nc3cc(F)c(N4CCN(Cc5ccccc5)CC4)cc3[nH]2)cc1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL411890 | 161239 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 450 | 6 | 1 | 4 | 5.5 | Fc1ccc(CSc2nc3cc(F)c(N4CCN(Cc5ccccc5)CC4)cc3[nH]2)cc1 | 10.1016/j.bmcl.2008.04.054 | |||
| 15982660 | 72454 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 382 | 4 | 0 | 3 | 4.1 | O=C1N(CC2CO2)c2ccccc2C12CCN(CC1CCCCCCC1)CC2 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL198867 | 72454 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 382 | 4 | 0 | 3 | 4.1 | O=C1N(CC2CO2)c2ccccc2C12CCN(CC1CCCCCCC1)CC2 | 10.1016/j.bmcl.2005.08.009 | |||
| 11597677 | 73659 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 454 | 8 | 1 | 3 | 5.4 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1OCc1ccccc1 | 10.1021/jm0509851 | |||
| CHEMBL201805 | 73659 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 454 | 8 | 1 | 3 | 5.4 | O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1OCc1ccccc1 | 10.1021/jm0509851 | |||
| 52915269 | 60932 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 454 | 9 | 3 | 5 | 5.5 | CCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762397 | 60932 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 454 | 9 | 3 | 5 | 5.5 | CCCNCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| 52916360 | 60911 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 902 | 19 | 4 | 10 | 11.3 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(/C=N/CCCCCC/N=C/c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762376 | 60911 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 902 | 19 | 4 | 10 | 11.3 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(/C=N/CCCCCC/N=C/c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1 | 10.1016/j.ejmech.2011.01.040 | |||
| 45271014 | 195458 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 433 | 5 | 1 | 3 | 6.7 | Cn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1Cl | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL552482 | 195458 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 433 | 5 | 1 | 3 | 6.7 | Cn1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1Cl | 10.1016/j.bmcl.2009.06.095 | |||
| 44407020 | 73964 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 440 | 7 | 1 | 3 | 5.0 | CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCN1CCC2(CCc3ccccc32)CC1 | 10.1021/jm0509851 | |||
| CHEMBL202152 | 73964 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 440 | 7 | 1 | 3 | 5.0 | CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCN1CCC2(CCc3ccccc32)CC1 | 10.1021/jm0509851 | |||
| CHEMBL405451 | 212560 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010092i | |||||
| 15982657 | 72138 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 432 | 4 | 0 | 4 | 3.8 | COC(=O)CN1C(=O)C2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL197880 | 72138 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 432 | 4 | 0 | 4 | 3.8 | COC(=O)CN1C(=O)C2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| 45270184 | 195268 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.6 | Cc1ccc(-n2c(-c3ncccc3Cl)nc(CN[C@H]3CC[C@@H](F)C3)c2C)cn1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL551208 | 195268 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.6 | Cc1ccc(-n2c(-c3ncccc3Cl)nc(CN[C@H]3CC[C@@H](F)C3)c2C)cn1 | 10.1016/j.bmcl.2009.06.095 | |||
| 44143438 | 178731 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 366 | 3 | 1 | 4 | 4.6 | CCN1CCN(c2cc3[nH]c(SC(C)(C)C)nc3cc2Cl)[C@H](C)C1 | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL468504 | 178731 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 366 | 3 | 1 | 4 | 4.6 | CCN1CCN(c2cc3[nH]c(SC(C)(C)C)nc3cc2Cl)[C@H](C)C1 | 10.1016/j.bmcl.2009.04.022 | |||
| 45267505 | 196059 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 343 | 4 | 1 | 3 | 4.0 | Cn1nc(CN[C@H]2CC[C@@H](F)C2)c(Cl)c1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.051 | |||
| CHEMBL560468 | 196059 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 343 | 4 | 1 | 3 | 4.0 | Cn1nc(CN[C@H]2CC[C@@H](F)C2)c(Cl)c1-c1cc(F)cc(F)c1 | 10.1016/j.bmcl.2009.06.051 | |||
| 44143429 | 178734 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 417 | 5 | 1 | 5 | 4.9 | Cc1ccc(-c2c(C)c(CNC3CCC(F)(F)C3)nn2-c2ncccc2Cl)cn1 | 10.1016/j.bmcl.2009.04.116 | |||
| CHEMBL468518 | 178734 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 417 | 5 | 1 | 5 | 4.9 | Cc1ccc(-c2c(C)c(CNC3CCC(F)(F)C3)nn2-c2ncccc2Cl)cn1 | 10.1016/j.bmcl.2009.04.116 | |||
| 44143432 | 178707 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 465 | 5 | 2 | 6 | 4.5 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@H](NC(=O)OC)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| CHEMBL468301 | 178707 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 465 | 5 | 2 | 6 | 4.5 | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@H](NC(=O)OC)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.022 | |||
| 10221539 | 156996 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 382 | 7 | 2 | 5 | 3.6 | CCC(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL407325 | 156996 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 382 | 7 | 2 | 5 | 3.6 | CCC(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.054 | |||
| 10221539 | 156996 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 382 | 7 | 2 | 5 | 3.6 | CCC(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.037 | |||
| CHEMBL407325 | 156996 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 382 | 7 | 2 | 5 | 3.6 | CCC(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 | 10.1016/j.bmcl.2008.04.037 | |||
| 44143436 | 178464 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 402 | 4 | 1 | 5 | 3.7 | CCN1CCN(c2cc3[nH]c(C(=O)C4(C)CCC(=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.023 | |||
| CHEMBL466307 | 178464 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 402 | 4 | 1 | 5 | 3.7 | CCN1CCN(c2cc3[nH]c(C(=O)C4(C)CCC(=O)CC4)nc3cc2Cl)CC1 | 10.1016/j.bmcl.2009.04.023 | |||
| 45272626 | 195762 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 306 | 4 | 2 | 3 | 3.2 | Cc1ncc(-c2[nH]nc(CN[C@H]3CC[C@@H](F)C3)c2C)cc1F | 10.1016/j.bmcl.2009.06.051 | |||
| CHEMBL557653 | 195762 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 306 | 4 | 2 | 3 | 3.2 | Cc1ncc(-c2[nH]nc(CN[C@H]3CC[C@@H](F)C3)c2C)cc1F | 10.1016/j.bmcl.2009.06.051 | |||
| 15982937 | 140275 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 410 | 3 | 0 | 4 | 3.9 | COC(=O)CN1C(=O)C2(CCN(C3CCC4CCCCC4C3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| CHEMBL380580 | 140275 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 410 | 3 | 0 | 4 | 3.9 | COC(=O)CN1C(=O)C2(CCN(C3CCC4CCCCC4C3)CC2)c2ccccc21 | 10.1016/j.bmcl.2005.08.009 | |||
| 44407156 | 141327 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 392 | 7 | 1 | 3 | 3.9 | CC(Oc1ccccc1)C(=O)NCCCN1CCC2(CCc3ccccc32)CC1 | 10.1021/jm0509851 | |||
| CHEMBL383489 | 141327 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 392 | 7 | 1 | 3 | 3.9 | CC(Oc1ccccc1)C(=O)NCCCN1CCC2(CCc3ccccc32)CC1 | 10.1021/jm0509851 | |||
| 44449851 | 95792 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 374 | 4 | 1 | 4 | 3.9 | CN1CCN(c2cc3[nH]c(SCc4ccc(F)cc4)nc3cc2F)CC1 | 10.1016/j.bmcl.2008.04.054 | |||
| CHEMBL258746 | 95792 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 374 | 4 | 1 | 4 | 3.9 | CN1CCN(c2cc3[nH]c(SCc4ccc(F)cc4)nc3cc2F)CC1 | 10.1016/j.bmcl.2008.04.054 | |||
| 44456217 | 169678 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 979 | 33 | 15 | 11 | -0.3 | CCC(CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC | 10.1016/j.bmc.2007.11.043 | |||
| CHEMBL443765 | 169678 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 979 | 33 | 15 | 11 | -0.3 | CCC(CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC | 10.1016/j.bmc.2007.11.043 | |||
| 136043819 | 77935 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 394 | 7 | 1 | 4 | 4.8 | CN(C)CCc1cccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| CHEMBL209537 | 77935 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 394 | 7 | 1 | 4 | 4.8 | CN(C)CCc1cccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| 45273702 | 195775 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 497 | 8 | 1 | 3 | 7.7 | FCC(CF)n1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| CHEMBL557729 | 195775 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 497 | 8 | 1 | 3 | 7.7 | FCC(CF)n1c(CNC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2009.06.095 | |||
| 136043780 | 139266 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 438 | 10 | 1 | 5 | 4.8 | CN(C)CCOCCc1cccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| CHEMBL379048 | 139266 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 438 | 10 | 1 | 5 | 4.8 | CN(C)CCOCCc1cccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc12 | 10.1016/j.bmcl.2006.03.086 | |||
| 11143820 | 10120 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 3.0 | O=C1NCN(c2ccccc2)C12CCN(Cc1cc3c(cc1Cl)OCO3)CC2 | 10.1021/jm010878g | |||
| CHEMBL115652 | 10120 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 3.0 | O=C1NCN(c2ccccc2)C12CCN(Cc1cc3c(cc1Cl)OCO3)CC2 | 10.1021/jm010878g | |||
| 52915143 | 60924 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 452 | 8 | 2 | 5 | 5.8 | CCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| CHEMBL1762389 | 60924 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 452 | 8 | 2 | 5 | 5.8 | CCC/N=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1016/j.ejmech.2011.01.040 | |||
| 118726263 | 117229 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 636 | 14 | 1 | 6 | 6.8 | CCCCN(Cc1ccccc1)C[C@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O | 10.1016/j.bmcl.2014.12.015 | |||
| CHEMBL3394745 | 117229 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 636 | 14 | 1 | 6 | 6.8 | CCCCN(Cc1ccccc1)C[C@H](O)CN1CN(c2ccccc2)C2(CCN(CCc3ccccc3-c3cccs3)CC2)C1=O | 10.1016/j.bmcl.2014.12.015 | |||
| 16131448 | 2847 | 28 | None | -1 | 6 | Rat | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1681 | 2847 | 28 | None | -1 | 6 | Rat | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1688 | 2847 | 28 | None | -1 | 6 | Rat | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 44361543 | 2847 | 28 | None | -1 | 6 | Rat | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 56947112 | 2847 | 28 | None | -1 | 6 | Rat | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| CHEMBL396460 | 2847 | 28 | None | -1 | 6 | Rat | 10.1 | pKd | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 10.0 | pKd | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 10.0 | pKd | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 10.0 | pKd | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 10.0 | pKd | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 10.0 | pKd | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 10.0 | pKd | = | 10.0 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 16131448 | 2847 | 28 | None | -1 | 6 | Rat | 10.0 | pKd | = | 10 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(00)00111-6 | |||||
| 1681 | 2847 | 28 | None | -1 | 6 | Rat | 10.0 | pKd | = | 10 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(00)00111-6 | |||||
| 1688 | 2847 | 28 | None | -1 | 6 | Rat | 10.0 | pKd | = | 10 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(00)00111-6 | |||||
| 44361543 | 2847 | 28 | None | -1 | 6 | Rat | 10.0 | pKd | = | 10 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(00)00111-6 | |||||
| 56947112 | 2847 | 28 | None | -1 | 6 | Rat | 10.0 | pKd | = | 10 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(00)00111-6 | |||||
| CHEMBL396460 | 2847 | 28 | None | -1 | 6 | Rat | 10.0 | pKd | = | 10 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(00)00111-6 | |||||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.09.018 | |||||
| 16131448 | 2847 | 28 | None | -1 | 6 | Rat | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1681 | 2847 | 28 | None | -1 | 6 | Rat | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1688 | 2847 | 28 | None | -1 | 6 | Rat | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 44361543 | 2847 | 28 | None | -1 | 6 | Rat | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 56947112 | 2847 | 28 | None | -1 | 6 | Rat | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| CHEMBL396460 | 2847 | 28 | None | -1 | 6 | Rat | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 16131448 | 2847 | 28 | None | -1 | 6 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1681 | 2847 | 28 | None | -1 | 6 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1688 | 2847 | 28 | None | -1 | 6 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 44361543 | 2847 | 28 | None | -1 | 6 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 56947112 | 2847 | 28 | None | -1 | 6 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| CHEMBL396460 | 2847 | 28 | None | -1 | 6 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 16131448 | 2847 | 28 | None | -1 | 6 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1681 | 2847 | 28 | None | -1 | 6 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 1688 | 2847 | 28 | None | -1 | 6 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 44361543 | 2847 | 28 | None | -1 | 6 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 56947112 | 2847 | 28 | None | -1 | 6 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| CHEMBL396460 | 2847 | 28 | None | -1 | 6 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2009.10.026 | |||||
| 24882570 | 115129 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 981 | 32 | 16 | 12 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2014.09.018 | |||
| CHEMBL3343946 | 115129 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 981 | 32 | 16 | 12 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2014.09.018 | |||
| CHEMBL3343947 | 115129 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 981 | 32 | 16 | 12 | -1.0 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.bmc.2014.09.018 | |||
| 101232765 | 179822 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 1384 | 48 | 23 | 20 | -7.2 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CSC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4745049 | 179822 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 1384 | 48 | 23 | 20 | -7.2 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CSC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 162657543 | 181133 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 1395 | 48 | 24 | 20 | -8.0 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CN[C@@H](C)c1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4760649 | 181133 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 1395 | 48 | 24 | 20 | -8.0 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CN[C@@H](C)c1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 101232765 | 179822 | 0 | None | - | 1 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 1384 | 48 | 23 | 20 | -7.2 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CSC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4745049 | 179822 | 0 | None | - | 1 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 1384 | 48 | 23 | 20 | -7.2 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CSC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL410396 | 212816 | 17 | None | 1 | 2 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||||
| 162657543 | 181133 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 1395 | 48 | 24 | 20 | -8.0 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CN[C@@H](C)c1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| CHEMBL4760649 | 181133 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 1395 | 48 | 24 | 20 | -8.0 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CN[C@@H](C)c1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||
| 10654047 | 212628 | 18 | None | 2 | 2 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||||
| CHEMBL406946 | 212628 | 18 | None | 2 | 2 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||||
| CHEMBL410396 | 212816 | 17 | None | 1 | 2 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||||
| 10654047 | 212628 | 18 | None | 2 | 2 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||||
| CHEMBL406946 | 212628 | 18 | None | 2 | 2 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.9b02057 | |||||
| 44388467 | 169403 | 0 | None | - | 1 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 1956 | 69 | 33 | 31 | -14.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | |||
| CHEMBL442297 | 169403 | 0 | None | - | 1 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 1956 | 69 | 33 | 31 | -14.8 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | |||
| CHEMBL415845 | 213202 | 0 | None | - | 1 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | None | None | None | CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm0202021 | |||||
| CHEMBL264846 | 210630 | 0 | None | - | 1 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm040106v | |||||
| 44388474 | 161040 | 0 | None | - | 1 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 1970 | 69 | 33 | 31 | -15.0 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | |||
| CHEMBL411649 | 161040 | 0 | None | - | 1 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 1970 | 69 | 33 | 31 | -15.0 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | |||
| 3917 | 3928 | 0 | None | 154 | 4 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | |||||
| 44430609 | 3928 | 0 | None | 154 | 4 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | |||||
| CHEMBL409969 | 3928 | 0 | None | 154 | 4 | Human | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | |||||
| 1641 | 2726 | 9 | None | 2 | 12 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 414 | 2 | 3 | 4 | 3.6 | Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)Cc2c1[nH]c1c2cccc1)CC1CC1 | 10.1021/jm00038a019 | |||
| 3829 | 2726 | 9 | None | 2 | 12 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 414 | 2 | 3 | 4 | 3.6 | Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)Cc2c1[nH]c1c2cccc1)CC1CC1 | 10.1021/jm00038a019 | |||
| 5497186 | 2726 | 9 | None | 2 | 12 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 414 | 2 | 3 | 4 | 3.6 | Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)Cc2c1[nH]c1c2cccc1)CC1CC1 | 10.1021/jm00038a019 | |||
| CHEMBL567175 | 2726 | 9 | None | 2 | 12 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 414 | 2 | 3 | 4 | 3.6 | Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)Cc2c1[nH]c1c2cccc1)CC1CC1 | 10.1021/jm00038a019 | |||
| 44388466 | 96499 | 0 | None | - | 1 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 1938 | 69 | 33 | 31 | -14.9 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | |||
| CHEMBL262544 | 96499 | 0 | None | - | 1 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 1938 | 69 | 33 | 31 | -14.9 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | |||
| 70689062 | 77600 | 0 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 438 | 5 | 1 | 4 | 4.3 | NC(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(Cl)sc12 | 10.1021/jm201629q | |||
| CHEMBL2088054 | 77600 | 0 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 438 | 5 | 1 | 4 | 4.3 | NC(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(Cl)sc12 | 10.1021/jm201629q | |||
| CHEMBL3810319 | 212275 | 0 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.5b01976 | |||||
| CHEMBL263588 | 210577 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm040106v | |||||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm040106v | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm040106v | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm040106v | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm040106v | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm040106v | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm040106v | |||||
| CHEMBL266191 | 210677 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | None | None | None | CC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm0202021 | |||||
| CHEMBL414542 | 213136 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | None | None | None | CC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm0202021 | |||||
| CHEMBL3808650 | 212272 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O | 10.1021/acs.jmedchem.5b01976 | |||||
| CHEMBL2372052 | 210172 | 0 | None | 5 | 7 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)[C@H](CN)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | |||||
| CHEMBL438537 | 213772 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm0202021 | |||||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2003.09.068 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2003.09.068 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2003.09.068 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2003.09.068 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2003.09.068 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2003.09.068 | |||||
| 68182754 | 112687 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 472 | 5 | 0 | 6 | 4.6 | Cc1nn(-c2c(F)cccc2CN(C)C)cc1CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm500117r | |||
| CHEMBL3236476 | 112687 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 472 | 5 | 0 | 6 | 4.6 | Cc1nn(-c2c(F)cccc2CN(C)C)cc1CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm500117r | |||
| CHEMBL3304248 | 112687 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 472 | 5 | 0 | 6 | 4.6 | Cc1nn(-c2c(F)cccc2CN(C)C)cc1CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm500117r | |||
| 70684842 | 77605 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 460 | 6 | 0 | 4 | 4.4 | CN(C(=O)C(Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12)C1CC1 | 10.1021/jm201629q | |||
| CHEMBL2088061 | 77605 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 460 | 6 | 0 | 4 | 4.4 | CN(C(=O)C(Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12)C1CC1 | 10.1021/jm201629q | |||
| 68182860 | 112701 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 433 | 3 | 0 | 5 | 4.7 | Cc1nn(-c2c(F)cccc2F)cc1CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm500117r | |||
| CHEMBL3236474 | 112701 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 433 | 3 | 0 | 5 | 4.7 | Cc1nn(-c2c(F)cccc2F)cc1CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm500117r | |||
| CHEMBL3304364 | 112701 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 433 | 3 | 0 | 5 | 4.7 | Cc1nn(-c2c(F)cccc2F)cc1CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm500117r | |||
| 9885005 | 57545 | 0 | None | 40 | 3 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 3.6 | CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 | 10.1016/s0960-894x(00)00111-6 | |||
| CHEMBL166387 | 57545 | 0 | None | 40 | 3 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 3.6 | CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 | 10.1016/s0960-894x(00)00111-6 | |||
| CHEMBL408356 | 212706 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | CC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm0202021 | |||||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm2003238 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm2003238 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm2003238 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm2003238 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm2003238 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm2003238 | |||||
| 9842289 | 120481 | 0 | None | 8 | 3 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 369 | 2 | 1 | 3 | 4.3 | O=C1NCN(c2ccccc2)C12CCN(C1CCCCCCCCC1)CC2 | 10.1016/s0960-894x(00)00111-6 | |||
| CHEMBL354291 | 120481 | 0 | None | 8 | 3 | Rat | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 369 | 2 | 1 | 3 | 4.3 | O=C1NCN(c2ccccc2)C12CCN(C1CCCCCCCCC1)CC2 | 10.1016/s0960-894x(00)00111-6 | |||
| 12419 | 2472 | 29 | None | 12 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 408 | 3 | 1 | 4 | 5.6 | CC1(CCCCCCC1)N2CCC(CC2)N3C(=NC4=C3C=CC=C4)[C@H]5CNCCC5 | 10.1021/jm7012979 | |||
| 24800108 | 2472 | 29 | None | 12 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 408 | 3 | 1 | 4 | 5.6 | CC1(CCCCCCC1)N2CCC(CC2)N3C(=NC4=C3C=CC=C4)[C@H]5CNCCC5 | 10.1021/jm7012979 | |||
| CHEMBL481512 | 2472 | 29 | None | 12 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 408 | 3 | 1 | 4 | 5.6 | CC1(CCCCCCC1)N2CCC(CC2)N3C(=NC4=C3C=CC=C4)[C@H]5CNCCC5 | 10.1021/jm7012979 | |||
| 58268629 | 78323 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 450 | 5 | 0 | 4 | 4.4 | CN(C)C(=O)C(Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(Cl)sc12 | 10.1021/jm201629q | |||
| CHEMBL2088055 | 78323 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 450 | 5 | 0 | 4 | 4.4 | CN(C)C(=O)C(Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(Cl)sc12 | 10.1021/jm201629q | |||
| CHEMBL2109704 | 78323 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 450 | 5 | 0 | 4 | 4.4 | CN(C)C(=O)C(Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(Cl)sc12 | 10.1021/jm201629q | |||
| 52951809 | 83593 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 436 | 5 | 1 | 4 | 4.0 | CNC(=O)[C@@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm101487v | |||
| CHEMBL2204347 | 83593 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 436 | 5 | 1 | 4 | 4.0 | CNC(=O)[C@@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm101487v | |||
| 70684841 | 77603 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 436 | 5 | 1 | 4 | 4.0 | CNC(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm201629q | |||
| CHEMBL2088058 | 77603 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 436 | 5 | 1 | 4 | 4.0 | CNC(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm201629q | |||
| 58268628 | 112649 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 458 | 5 | 0 | 7 | 4.5 | COCc1cccnc1-n1cc(CN2CCC3(CC2)OCCc2cc(Cl)sc23)c(C)n1 | 10.1021/jm500117r | |||
| CHEMBL3236478 | 112649 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 458 | 5 | 0 | 7 | 4.5 | COCc1cccnc1-n1cc(CN2CCC3(CC2)OCCc2cc(Cl)sc23)c(C)n1 | 10.1021/jm500117r | |||
| CHEMBL3303098 | 112649 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 458 | 5 | 0 | 7 | 4.5 | COCc1cccnc1-n1cc(CN2CCC3(CC2)OCCc2cc(Cl)sc23)c(C)n1 | 10.1021/jm500117r | |||
| 58268566 | 110118 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 516 | 4 | 1 | 7 | 5.3 | Cc1nn(-c2ncccc2-c2ncc[nH]2)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 | 10.1021/jm500117r | |||
| CHEMBL3236486 | 110118 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 516 | 4 | 1 | 7 | 5.3 | Cc1nn(-c2ncccc2-c2ncc[nH]2)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 | 10.1021/jm500117r | |||
| 58268647 | 112613 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 442 | 5 | 0 | 7 | 4.0 | COCc1cccnc1-n1cc(CN2CCC3(CC2)OCCc2cc(F)sc23)c(C)n1 | 10.1021/jm500117r | |||
| CHEMBL3236479 | 112613 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 442 | 5 | 0 | 7 | 4.0 | COCc1cccnc1-n1cc(CN2CCC3(CC2)OCCc2cc(F)sc23)c(C)n1 | 10.1021/jm500117r | |||
| CHEMBL3302393 | 112613 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 442 | 5 | 0 | 7 | 4.0 | COCc1cccnc1-n1cc(CN2CCC3(CC2)OCCc2cc(F)sc23)c(C)n1 | 10.1021/jm500117r | |||
| 68182857 | 112693 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 458 | 4 | 1 | 6 | 3.7 | Cc1nn(-c2c(F)cccc2C(N)=O)cc1CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm500117r | |||
| CHEMBL3236475 | 112693 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 458 | 4 | 1 | 6 | 3.7 | Cc1nn(-c2c(F)cccc2C(N)=O)cc1CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm500117r | |||
| CHEMBL3304315 | 112693 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 458 | 4 | 1 | 6 | 3.7 | Cc1nn(-c2c(F)cccc2C(N)=O)cc1CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm500117r | |||
| 67168385 | 112699 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 510 | 5 | 1 | 6 | 5.4 | CNCc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc23)c(C)n1 | 10.1021/jm500117r | |||
| CHEMBL3236485 | 112699 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 510 | 5 | 1 | 6 | 5.4 | CNCc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc23)c(C)n1 | 10.1021/jm500117r | |||
| CHEMBL3304360 | 112699 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 510 | 5 | 1 | 6 | 5.4 | CNCc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc23)c(C)n1 | 10.1021/jm500117r | |||
| CHEMBL264084 | 210603 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | None | None | None | CC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O | 10.1021/jm0202021 | |||||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020078l | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020078l | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020078l | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020078l | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020078l | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | None | None | None | None | 10.1021/jm020078l | |||||
| CHEMBL1162359 | 208515 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm800394v | |||||
| 25208097 | 183920 | 3 | None | 5 | 4 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 408 | 3 | 1 | 4 | 5.6 | CC1(N2CCC(n3c([C@H]4CCCNC4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | |||
| CHEMBL481366 | 183920 | 3 | None | 5 | 4 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 408 | 3 | 1 | 4 | 5.6 | CC1(N2CCC(n3c([C@H]4CCCNC4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | |||
| 10406239 | 120558 | 0 | None | 2 | 4 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 360 | 2 | 1 | 2 | 5.0 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3ccccc3[nH]c12 | 10.1021/ml500117c | |||
| CHEMBL3326224 | 120558 | 0 | None | 2 | 4 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 360 | 2 | 1 | 2 | 5.0 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3ccccc3[nH]c12 | 10.1021/ml500117c | |||
| CHEMBL3326226 | 120558 | 0 | None | 2 | 4 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 360 | 2 | 1 | 2 | 5.0 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3ccccc3[nH]c12 | 10.1021/ml500117c | |||
| CHEMBL3545624 | 120558 | 0 | None | 2 | 4 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 360 | 2 | 1 | 2 | 5.0 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3ccccc3[nH]c12 | 10.1021/ml500117c | |||
| 52951675 | 83596 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 3.7 | NC(=O)[C@@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm101487v | |||
| CHEMBL2204353 | 83596 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 3.7 | NC(=O)[C@@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm101487v | |||
| 52914971 | 2405 | 37 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 480 | 4 | 1 | 7 | 4.4 | OCc1cccnc1n1nc(c(c1)CN1CCC2(CC1)OCC(c1c2sc(c1)Cl)(F)F)C | 10.1021/jm500117r | |||
| 9462 | 2405 | 37 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 480 | 4 | 1 | 7 | 4.4 | OCc1cccnc1n1nc(c(c1)CN1CCC2(CC1)OCC(c1c2sc(c1)Cl)(F)F)C | 10.1021/jm500117r | |||
| CHEMBL3304244 | 2405 | 37 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 480 | 4 | 1 | 7 | 4.4 | OCc1cccnc1n1nc(c(c1)CN1CCC2(CC1)OCC(c1c2sc(c1)Cl)(F)F)C | 10.1021/jm500117r | |||
| DB16048 | 2405 | 37 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 480 | 4 | 1 | 7 | 4.4 | OCc1cccnc1n1nc(c(c1)CN1CCC2(CC1)OCC(c1c2sc(c1)Cl)(F)F)C | 10.1021/jm500117r | |||
| 52951807 | 77378 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 406 | 5 | 1 | 4 | 3.2 | NC(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm201629q | |||
| CHEMBL2086410 | 77378 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 406 | 5 | 1 | 4 | 3.2 | NC(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm201629q | |||
| 52951807 | 77378 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 406 | 5 | 1 | 4 | 3.2 | NC(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm101487v | |||
| CHEMBL2086410 | 77378 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 406 | 5 | 1 | 4 | 3.2 | NC(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm101487v | |||
| 68182737 | 112615 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 497 | 4 | 1 | 6 | 5.1 | Cc1nn(-c2c(F)cccc2CO)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 | 10.1021/jm500117r | |||
| CHEMBL3236484 | 112615 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 497 | 4 | 1 | 6 | 5.1 | Cc1nn(-c2c(F)cccc2CO)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 | 10.1021/jm500117r | |||
| CHEMBL3302404 | 112615 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 497 | 4 | 1 | 6 | 5.1 | Cc1nn(-c2c(F)cccc2CO)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 | 10.1021/jm500117r | |||
| 60154264 | 77385 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 434 | 5 | 0 | 4 | 3.8 | CN(C)C(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm201629q | |||
| CHEMBL2086648 | 77385 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 434 | 5 | 0 | 4 | 3.8 | CN(C)C(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm201629q | |||
| CHEMBL2088060 | 77385 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 434 | 5 | 0 | 4 | 3.8 | CN(C)C(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm201629q | |||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.02.047 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.02.047 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.02.047 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.02.047 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.02.047 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2014.02.047 | |||||
| 68182789 | 112621 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 488 | 5 | 0 | 6 | 5.2 | Cc1nn(-c2c(F)cccc2CN(C)C)cc1CN1CCC2(CC1)OCCc1cc(Cl)sc12 | 10.1021/jm500117r | |||
| CHEMBL3236477 | 112621 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 488 | 5 | 0 | 6 | 5.2 | Cc1nn(-c2c(F)cccc2CN(C)C)cc1CN1CCC2(CC1)OCCc1cc(Cl)sc12 | 10.1021/jm500117r | |||
| CHEMBL3302591 | 112621 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 488 | 5 | 0 | 6 | 5.2 | Cc1nn(-c2c(F)cccc2CN(C)C)cc1CN1CCC2(CC1)OCCc1cc(Cl)sc12 | 10.1021/jm500117r | |||
| 70697390 | 77599 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 452 | 5 | 1 | 4 | 4.5 | CNC(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(Cl)sc12 | 10.1021/jm201629q | |||
| CHEMBL2088053 | 77599 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 452 | 5 | 1 | 4 | 4.5 | CNC(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(Cl)sc12 | 10.1021/jm201629q | |||
| 70689063 | 77601 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 436 | 5 | 1 | 4 | 4.0 | CNC(=O)C(Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(Cl)sc12 | 10.1021/jm201629q | |||
| CHEMBL2088056 | 77601 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 436 | 5 | 1 | 4 | 4.0 | CNC(=O)C(Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(Cl)sc12 | 10.1021/jm201629q | |||
| 44388473 | 159464 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 1952 | 69 | 33 | 31 | -15.1 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | |||
| CHEMBL410145 | 159464 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 1952 | 69 | 33 | 31 | -15.1 | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN | 10.1021/jm040106v | |||
| CHEMBL414767 | 213152 | 0 | None | 154 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm040106v | |||||
| 44253565 | 142410 | 0 | None | 1 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 430 | 5 | 0 | 2 | 5.8 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)c2cccc(F)c2)CC1 | nan | |||
| CHEMBL3889835 | 142410 | 0 | None | 1 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 430 | 5 | 0 | 2 | 5.8 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)c2cccc(F)c2)CC1 | nan | |||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm7009606 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm7009606 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm7009606 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm7009606 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm7009606 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm7009606 | |||||
| 70697391 | 77602 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 450 | 5 | 0 | 4 | 4.4 | CN(C)C(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm201629q | |||
| CHEMBL2088057 | 77602 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 450 | 5 | 0 | 4 | 4.4 | CN(C)C(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm201629q | |||
| 52951808 | 77587 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 462 | 6 | 0 | 4 | 4.6 | CC(C)N(C)C(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm201629q | |||
| CHEMBL2088029 | 77587 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 462 | 6 | 0 | 4 | 4.6 | CC(C)N(C)C(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm201629q | |||
| 52951808 | 77587 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 462 | 6 | 0 | 4 | 4.6 | CC(C)N(C)C(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm101487v | |||
| CHEMBL2088029 | 77587 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 462 | 6 | 0 | 4 | 4.6 | CC(C)N(C)C(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm101487v | |||
| 58268595 | 112700 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 416 | 3 | 0 | 6 | 4.0 | Cc1nn(-c2ncccc2F)cc1CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm500117r | |||
| CHEMBL3236473 | 112700 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 416 | 3 | 0 | 6 | 4.0 | Cc1nn(-c2ncccc2F)cc1CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm500117r | |||
| CHEMBL3304363 | 112700 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 416 | 3 | 0 | 6 | 4.0 | Cc1nn(-c2ncccc2F)cc1CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm500117r | |||
| 68182794 | 112614 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 524 | 5 | 0 | 6 | 5.7 | Cc1nn(-c2c(F)cccc2CN(C)C)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 | 10.1021/jm500117r | |||
| CHEMBL3236482 | 112614 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 524 | 5 | 0 | 6 | 5.7 | Cc1nn(-c2c(F)cccc2CN(C)C)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 | 10.1021/jm500117r | |||
| CHEMBL3302403 | 112614 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 524 | 5 | 0 | 6 | 5.7 | Cc1nn(-c2c(F)cccc2CN(C)C)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 | 10.1021/jm500117r | |||
| CHEMBL410979 | 212853 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O | 10.1021/jm0202021 | |||||
| 25208101 | 183921 | 0 | None | 41 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 479 | 4 | 0 | 5 | 6.2 | CC1(N2CCC(n3c(-c4cccc(S(C)(=O)=O)c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | |||
| CHEMBL481367 | 183921 | 0 | None | 41 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 479 | 4 | 0 | 5 | 6.2 | CC1(N2CCC(n3c(-c4cccc(S(C)(=O)=O)c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | |||
| 53319615 | 57305 | 0 | None | 1174 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 451 | 4 | 1 | 4 | 6.5 | OCC1(N2CCC(n3c(-c4ccc(Cl)cc4)nc4ccccc43)CC2)CCCCCCC1 | 10.1016/j.bmc.2010.07.034 | |||
| CHEMBL1650843 | 57305 | 0 | None | 1174 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 451 | 4 | 1 | 4 | 6.5 | OCC1(N2CCC(n3c(-c4ccc(Cl)cc4)nc4ccccc43)CC2)CCCCCCC1 | 10.1016/j.bmc.2010.07.034 | |||
| 52951810 | 77591 | 1 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 420 | 5 | 1 | 4 | 3.5 | CNC(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm101487v | |||
| CHEMBL2088033 | 77591 | 1 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 420 | 5 | 1 | 4 | 3.5 | CNC(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm101487v | |||
| 70695375 | 78333 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 466 | 5 | 0 | 4 | 4.9 | CN(C)C(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(Cl)sc12 | 10.1021/jm201629q | |||
| CHEMBL2088052 | 78333 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 466 | 5 | 0 | 4 | 4.9 | CN(C)C(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(Cl)sc12 | 10.1021/jm201629q | |||
| CHEMBL2109867 | 78333 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 466 | 5 | 0 | 4 | 4.9 | CN(C)C(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(Cl)sc12 | 10.1021/jm201629q | |||
| 68182775 | 112633 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 485 | 3 | 0 | 5 | 5.8 | Cc1nn(-c2c(F)cccc2F)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 | 10.1021/jm500117r | |||
| CHEMBL3236480 | 112633 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 485 | 3 | 0 | 5 | 5.8 | Cc1nn(-c2c(F)cccc2F)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 | 10.1021/jm500117r | |||
| CHEMBL3302759 | 112633 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 485 | 3 | 0 | 5 | 5.8 | Cc1nn(-c2c(F)cccc2F)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 | 10.1021/jm500117r | |||
| 52951810 | 77591 | 1 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 420 | 5 | 1 | 4 | 3.5 | CNC(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm201629q | |||
| CHEMBL2088033 | 77591 | 1 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 420 | 5 | 1 | 4 | 3.5 | CNC(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm201629q | |||
| 58268569 | 112684 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 468 | 3 | 0 | 6 | 5.0 | Cc1nn(-c2ncccc2F)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 | 10.1021/jm500117r | |||
| CHEMBL3236481 | 112684 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 468 | 3 | 0 | 6 | 5.0 | Cc1nn(-c2ncccc2F)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 | 10.1021/jm500117r | |||
| CHEMBL3304234 | 112684 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 468 | 3 | 0 | 6 | 5.0 | Cc1nn(-c2ncccc2F)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 | 10.1021/jm500117r | |||
| CHEMBL269068 | 210775 | 0 | None | 56 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1016/j.bmc.2007.04.026 | |||||
| 25207950 | 183794 | 0 | None | 109 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 430 | 4 | 1 | 4 | 6.3 | CC1(N2CCC(n3c(-c4cccc(CN)c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | |||
| CHEMBL480426 | 183794 | 0 | None | 109 | 4 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 430 | 4 | 1 | 4 | 6.3 | CC1(N2CCC(n3c(-c4cccc(CN)c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | |||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2004.08.001 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2004.08.001 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2004.08.001 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2004.08.001 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2004.08.001 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2004.08.001 | |||||
| 58268591 | 112631 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 494 | 5 | 0 | 7 | 5.1 | COCc1cccnc1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc23)c(C)n1 | 10.1021/jm500117r | |||
| CHEMBL3236488 | 112631 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 494 | 5 | 0 | 7 | 5.1 | COCc1cccnc1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc23)c(C)n1 | 10.1021/jm500117r | |||
| CHEMBL3302755 | 112631 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 494 | 5 | 0 | 7 | 5.1 | COCc1cccnc1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc23)c(C)n1 | 10.1021/jm500117r | |||
| 11956520 | 120563 | 0 | None | 2 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 359 | 2 | 2 | 2 | 4.5 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)NCCc1c3ccccc3[nH]c12 | 10.1021/ml500117c | |||
| CHEMBL3326228 | 120563 | 0 | None | 2 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 359 | 2 | 2 | 2 | 4.5 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)NCCc1c3ccccc3[nH]c12 | 10.1021/ml500117c | |||
| CHEMBL3545629 | 120563 | 0 | None | 2 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 359 | 2 | 2 | 2 | 4.5 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)NCCc1c3ccccc3[nH]c12 | 10.1021/ml500117c | |||
| 70682760 | 77606 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 476 | 6 | 0 | 4 | 4.9 | CN(C(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12)C1CC1 | 10.1021/jm201629q | |||
| CHEMBL2088062 | 77606 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 476 | 6 | 0 | 4 | 4.9 | CN(C(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12)C1CC1 | 10.1021/jm201629q | |||
| 25208095 | 191207 | 0 | None | 18 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 422 | 3 | 0 | 4 | 6.0 | CN1CCC[C@@H](c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)C1 | 10.1021/jm7012979 | |||
| CHEMBL518950 | 191207 | 0 | None | 18 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 422 | 3 | 0 | 4 | 6.0 | CN1CCC[C@@H](c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)C1 | 10.1021/jm7012979 | |||
| 46880032 | 7608 | 0 | None | 54 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 426 | 4 | 1 | 5 | 4.1 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCCCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1088036 | 7608 | 0 | None | 54 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 426 | 4 | 1 | 5 | 4.1 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCCCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 124565311 | 174068 | 0 | None | 165 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 440 | 4 | 1 | 5 | 3.6 | CNC(=O)Cn1c(=O)n(C2CCN([C@H]3Cc4cccc5cccc3c45)CC2)c2ccccc21 | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL4544227 | 174068 | 0 | None | 165 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 440 | 4 | 1 | 5 | 3.6 | CNC(=O)Cn1c(=O)n(C2CCN([C@H]3Cc4cccc5cccc3c45)CC2)c2ccccc21 | 10.1021/acs.jmedchem.5b01499 | |||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500117r | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500117r | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500117r | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500117r | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500117r | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500117r | |||||
| 25208245 | 183942 | 0 | None | 204 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 453 | 3 | 0 | 3 | 7.6 | CC1(N2CCC(n3c(-c4ccc(F)c(Cl)c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | |||
| CHEMBL481547 | 183942 | 0 | None | 204 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 453 | 3 | 0 | 3 | 7.6 | CC1(N2CCC(n3c(-c4ccc(F)c(Cl)c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | |||
| 52951674 | 77588 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 448 | 6 | 1 | 4 | 4.3 | CC(C)NC(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm201629q | |||
| CHEMBL2088030 | 77588 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 448 | 6 | 1 | 4 | 4.3 | CC(C)NC(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm201629q | |||
| 52951674 | 77588 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 448 | 6 | 1 | 4 | 4.3 | CC(C)NC(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm101487v | |||
| CHEMBL2088030 | 77588 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 448 | 6 | 1 | 4 | 4.3 | CC(C)NC(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm101487v | |||
| 10296561 | 1042 | 26 | None | 23 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 433 | 7 | 1 | 4 | 3.7 | O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1 | 10.1016/j.bmc.2009.05.068 | |||
| 7361 | 1042 | 26 | None | 23 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 433 | 7 | 1 | 4 | 3.7 | O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1 | 10.1016/j.bmc.2009.05.068 | |||
| CHEMBL201945 | 1042 | 26 | None | 23 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 433 | 7 | 1 | 4 | 3.7 | O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1 | 10.1016/j.bmc.2009.05.068 | |||
| CHEMBL413944 | 213101 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm040106v | |||||
| 25208099 | 188368 | 0 | None | 41 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 422 | 3 | 0 | 4 | 6.0 | CN1CCC[C@H](c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)C1 | 10.1021/jm7012979 | |||
| CHEMBL501331 | 188368 | 0 | None | 41 | 4 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 422 | 3 | 0 | 4 | 6.0 | CN1CCC[C@H](c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)C1 | 10.1021/jm7012979 | |||
| 9885004 | 169220 | 1 | None | 13 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 355 | 2 | 1 | 3 | 3.9 | O=C1NCN(c2ccccc2)C12CCN(C1CCCCCCCC1)CC2 | 10.1016/s0960-894x(00)00111-6 | |||
| CHEMBL440928 | 169220 | 1 | None | 13 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 355 | 2 | 1 | 3 | 3.9 | O=C1NCN(c2ccccc2)C12CCN(C1CCCCCCCC1)CC2 | 10.1016/s0960-894x(00)00111-6 | |||
| 70691173 | 78332 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 406 | 5 | 0 | 6 | 2.4 | CN(C)C(=O)C(CN1CCC2(CC1)OCCc1cc(F)sc12)Cn1cccn1 | 10.1021/jm201629q | |||
| CHEMBL2088051 | 78332 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 406 | 5 | 0 | 6 | 2.4 | CN(C)C(=O)C(CN1CCC2(CC1)OCCc1cc(F)sc12)Cn1cccn1 | 10.1021/jm201629q | |||
| CHEMBL2109866 | 78332 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 406 | 5 | 0 | 6 | 2.4 | CN(C)C(=O)C(CN1CCC2(CC1)OCCc1cc(F)sc12)Cn1cccn1 | 10.1021/jm201629q | |||
| 15512229 | 3383 | 0 | None | 1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(C21CCN(CC2)[C@@H]1Cc2c3c1cccc3ccc2)c1ccccc1 | 10.1016/s0960-894x(99)00385-6 | |||
| 8864 | 3383 | 0 | None | 1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(C21CCN(CC2)[C@@H]1Cc2c3c1cccc3ccc2)c1ccccc1 | 10.1016/s0960-894x(99)00385-6 | |||
| CHEMBL355202 | 3383 | 0 | None | 1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(C21CCN(CC2)[C@@H]1Cc2c3c1cccc3ccc2)c1ccccc1 | 10.1016/s0960-894x(99)00385-6 | |||
| 10047612 | 3527 | 15 | None | 173 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 417 | 3 | 1 | 2 | 6.2 | O[C@H]1C[C@H](CCc2c1cccc2C)CN1CCC(CC1)c1c(Cl)cccc1Cl | 10.1021/jm201629q | |||
| 1693 | 3527 | 15 | None | 173 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 417 | 3 | 1 | 2 | 6.2 | O[C@H]1C[C@H](CCc2c1cccc2C)CN1CCC(CC1)c1c(Cl)cccc1Cl | 10.1021/jm201629q | |||
| CHEMBL559569 | 3527 | 15 | None | 173 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 417 | 3 | 1 | 2 | 6.2 | O[C@H]1C[C@H](CCc2c1cccc2C)CN1CCC(CC1)c1c(Cl)cccc1Cl | 10.1021/jm201629q | |||
| 10047612 | 3527 | 15 | None | 173 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 417 | 3 | 1 | 2 | 6.2 | O[C@H]1C[C@H](CCc2c1cccc2C)CN1CCC(CC1)c1c(Cl)cccc1Cl | 10.1021/jm101487v | |||
| 1693 | 3527 | 15 | None | 173 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 417 | 3 | 1 | 2 | 6.2 | O[C@H]1C[C@H](CCc2c1cccc2C)CN1CCC(CC1)c1c(Cl)cccc1Cl | 10.1021/jm101487v | |||
| CHEMBL559569 | 3527 | 15 | None | 173 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 417 | 3 | 1 | 2 | 6.2 | O[C@H]1C[C@H](CCc2c1cccc2C)CN1CCC(CC1)c1c(Cl)cccc1Cl | 10.1021/jm101487v | |||
| CHEMBL1162358 | 208514 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm800394v | |||||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0202021 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0202021 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0202021 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0202021 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0202021 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm0202021 | |||||
| 8868 | 3545 | 31 | None | 1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 397 | 4 | 1 | 2 | 5.9 | Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(C2)(O)c1ccccc1 | 10.1016/j.bmcl.2009.03.031 | |||
| 9887077 | 3545 | 31 | None | 1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 397 | 4 | 1 | 2 | 5.9 | Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(C2)(O)c1ccccc1 | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL513136 | 3545 | 31 | None | 1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 397 | 4 | 1 | 2 | 5.9 | Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(C2)(O)c1ccccc1 | 10.1016/j.bmcl.2009.03.031 | |||
| 44438983 | 147182 | 0 | None | 16 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 379 | 2 | 1 | 3 | 3.6 | O=C1NCN(c2ccccc2)C12CCN(C1CCCc3cccc(F)c31)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL392798 | 147182 | 0 | None | 16 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 379 | 2 | 1 | 3 | 3.6 | O=C1NCN(c2ccccc2)C12CCN(C1CCCc3cccc(F)c31)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 134563655 | 174216 | 3 | None | 7 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 353 | 4 | 1 | 3 | 5.0 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| CHEMBL4548515 | 174216 | 3 | None | 7 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 353 | 4 | 1 | 3 | 5.0 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| 25207948 | 183793 | 0 | None | 31 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 461 | 6 | 1 | 5 | 6.2 | CC1(N2CCC(n3c(-c4cccc(OCCO)c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | |||
| CHEMBL480425 | 183793 | 0 | None | 31 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 461 | 6 | 1 | 5 | 6.2 | CC1(N2CCC(n3c(-c4cccc(OCCO)c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | |||
| 10406239 | 120558 | 0 | None | 2 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 360 | 2 | 1 | 2 | 5.0 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3ccccc3[nH]c12 | 10.1021/ml500116x | |||
| CHEMBL3326224 | 120558 | 0 | None | 2 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 360 | 2 | 1 | 2 | 5.0 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3ccccc3[nH]c12 | 10.1021/ml500116x | |||
| CHEMBL3326226 | 120558 | 0 | None | 2 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 360 | 2 | 1 | 2 | 5.0 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3ccccc3[nH]c12 | 10.1021/ml500116x | |||
| CHEMBL3545624 | 120558 | 0 | None | 2 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 360 | 2 | 1 | 2 | 5.0 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3ccccc3[nH]c12 | 10.1021/ml500116x | |||
| 44414890 | 139181 | 0 | None | 1 | 3 | Guinea pig | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 445 | 4 | 3 | 6 | 2.5 | C=CCN1CCC23c4c5ccc(O)c4O[C@@H]2/C(=N/NC(=O)c2ccccc2)CCC3(O)C1C5 | 10.1016/j.bmcl.2006.05.060 | |||
| CHEMBL378753 | 139181 | 0 | None | 1 | 3 | Guinea pig | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 445 | 4 | 3 | 6 | 2.5 | C=CCN1CCC23c4c5ccc(O)c4O[C@@H]2/C(=N/NC(=O)c2ccccc2)CCC3(O)C1C5 | 10.1016/j.bmcl.2006.05.060 | |||
| CHEMBL409204 | 212749 | 0 | None | - | 1 | Mouse | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010221v | |||||
| 15512237 | 205156 | 0 | None | 12 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 401 | 2 | 1 | 3 | 4.0 | O=C1NCN(c2cccc(F)c2)C12CCN(C1Cc3cccc4cccc1c34)CC2 | 10.1016/s0960-894x(99)00385-6 | |||
| CHEMBL78156 | 205156 | 0 | None | 12 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 401 | 2 | 1 | 3 | 4.0 | O=C1NCN(c2cccc(F)c2)C12CCN(C1Cc3cccc4cccc1c34)CC2 | 10.1016/s0960-894x(99)00385-6 | |||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2007.04.026 | |||||
| 10047612 | 3527 | 15 | None | 173 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 417 | 3 | 1 | 2 | 6.2 | O[C@H]1C[C@H](CCc2c1cccc2C)CN1CCC(CC1)c1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.5b01499 | |||
| 1693 | 3527 | 15 | None | 173 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 417 | 3 | 1 | 2 | 6.2 | O[C@H]1C[C@H](CCc2c1cccc2C)CN1CCC(CC1)c1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL559569 | 3527 | 15 | None | 173 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 417 | 3 | 1 | 2 | 6.2 | O[C@H]1C[C@H](CCc2c1cccc2C)CN1CCC(CC1)c1c(Cl)cccc1Cl | 10.1021/acs.jmedchem.5b01499 | |||
| 11464846 | 77592 | 26 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 440 | 4 | 1 | 5 | 3.6 | CNC(=O)Cn1c(=O)n(C2CCN([C@@H]3Cc4cccc5cccc3c45)CC2)c2ccccc21 | 10.1021/jm201629q | |||
| CHEMBL2088035 | 77592 | 26 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 440 | 4 | 1 | 5 | 3.6 | CNC(=O)Cn1c(=O)n(C2CCN([C@@H]3Cc4cccc5cccc3c45)CC2)c2ccccc21 | 10.1021/jm201629q | |||
| CHEMBL1162357 | 208513 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm800394v | |||||
| 1682 | 2850 | 18 | None | 3 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm800394v | |||||
| 6324645 | 2850 | 18 | None | 3 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm800394v | |||||
| CHEMBL384755 | 2850 | 18 | None | 3 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm800394v | |||||
| 58268645 | 112643 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 507 | 5 | 0 | 7 | 5.0 | Cc1nn(-c2ncccc2CN(C)C)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 | 10.1021/jm500117r | |||
| CHEMBL3236483 | 112643 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 507 | 5 | 0 | 7 | 5.0 | Cc1nn(-c2ncccc2CN(C)C)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 | 10.1021/jm500117r | |||
| CHEMBL3302938 | 112643 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 507 | 5 | 0 | 7 | 5.0 | Cc1nn(-c2ncccc2CN(C)C)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 | 10.1021/jm500117r | |||
| 10276738 | 172259 | 0 | None | 54 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 466 | 5 | 2 | 3 | 6.1 | NCc1ccccc1C1(O)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL4474536 | 172259 | 0 | None | 54 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 466 | 5 | 2 | 3 | 6.1 | NCc1ccccc1C1(O)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1021/acs.jmedchem.5b01499 | |||
| 10763594 | 161275 | 1 | None | 120 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 401 | 2 | 1 | 3 | 4.4 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CC[C@H]3CCCc4cccc1c43)CC2 | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL412098 | 161275 | 1 | None | 120 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 401 | 2 | 1 | 3 | 4.4 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CC[C@H]3CCCc4cccc1c43)CC2 | 10.1021/acs.jmedchem.5b01499 | |||
| 10763594 | 161275 | 1 | None | 120 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 401 | 2 | 1 | 3 | 4.4 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CC[C@H]3CCCc4cccc1c43)CC2 | 10.1021/jm7009606 | |||
| CHEMBL412098 | 161275 | 1 | None | 120 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 401 | 2 | 1 | 3 | 4.4 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CC[C@H]3CCCc4cccc1c43)CC2 | 10.1021/jm7009606 | |||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm7012979 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm7012979 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm7012979 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm7012979 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm7012979 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm7012979 | |||||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2010.07.034 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2010.07.034 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2010.07.034 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2010.07.034 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2010.07.034 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2010.07.034 | |||||
| 60154200 | 77604 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 434 | 5 | 0 | 4 | 3.8 | CN(C)C(=O)C(Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm201629q | |||
| CHEMBL2088059 | 77604 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 434 | 5 | 0 | 4 | 3.8 | CN(C)C(=O)C(Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm201629q | |||
| CHEMBL261997 | 210522 | 8 | None | - | 1 | Mouse | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010221v | |||||
| 44430038 | 87365 | 0 | None | 5 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 352 | 7 | 2 | 3 | 4.4 | CCCCC(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL233326 | 87365 | 0 | None | 5 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 352 | 7 | 2 | 3 | 4.4 | CCCCC(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 23383556 | 179355 | 0 | None | 25 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 488 | 9 | 1 | 4 | 5.0 | CCCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL473700 | 179355 | 0 | None | 25 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 488 | 9 | 1 | 4 | 5.0 | CCCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 25190623 | 189711 | 0 | None | 204 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 502 | 8 | 1 | 4 | 5.6 | CC(C)CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL515575 | 189711 | 0 | None | 204 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 502 | 8 | 1 | 4 | 5.6 | CC(C)CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 118662460 | 171126 | 0 | None | 1 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 354 | 4 | 0 | 2 | 4.4 | CN(C)C1(c2ccccc2)CCC2(CCN(C(=O)CC3CCC3)C2)CC1 | 10.1021/acsmedchemlett.6b00277 | |||
| CHEMBL4458273 | 171126 | 0 | None | 1 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 354 | 4 | 0 | 2 | 4.4 | CN(C)C1(c2ccccc2)CCC2(CCN(C(=O)CC3CCC3)C2)CC1 | 10.1021/acsmedchemlett.6b00277 | |||
| 10156591 | 120557 | 0 | None | 22 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 379 | 6 | 2 | 2 | 4.8 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCc2c[nH]c3ccc(F)cc23)CC1 | 10.1021/ml500116x | |||
| CHEMBL3326223 | 120557 | 0 | None | 22 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 379 | 6 | 2 | 2 | 4.8 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCc2c[nH]c3ccc(F)cc23)CC1 | 10.1021/ml500116x | |||
| CHEMBL3545623 | 120557 | 0 | None | 22 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 379 | 6 | 2 | 2 | 4.8 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCc2c[nH]c3ccc(F)cc23)CC1 | 10.1021/ml500116x | |||
| 1691 | 2105 | 23 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10.1021/jm201629q | |||
| 5311194 | 2105 | 23 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10.1021/jm201629q | |||
| CHEMBL357076 | 2105 | 23 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10.1021/jm201629q | |||
| 15512229 | 3383 | 0 | None | -1 | 7 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(C21CCN(CC2)[C@@H]1Cc2c3c1cccc3ccc2)c1ccccc1 | 10.1016/s0960-894x(00)00111-6 | |||
| 8864 | 3383 | 0 | None | -1 | 7 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(C21CCN(CC2)[C@@H]1Cc2c3c1cccc3ccc2)c1ccccc1 | 10.1016/s0960-894x(00)00111-6 | |||
| CHEMBL355202 | 3383 | 0 | None | -1 | 7 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(C21CCN(CC2)[C@@H]1Cc2c3c1cccc3ccc2)c1ccccc1 | 10.1016/s0960-894x(00)00111-6 | |||
| CHEMBL411621 | 212950 | 0 | None | 301 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm040106v | |||||
| 11004121 | 107041 | 0 | None | 60 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 409 | 2 | 0 | 3 | 5.4 | CN1C[C@@H]2[C@H](C1)CN(c1ccccc1)C21CCN(C2CCCCCCCCC2)CC1 | 10.1021/jm0209174 | |||
| CHEMBL315551 | 107041 | 0 | None | 60 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 409 | 2 | 0 | 3 | 5.4 | CN1C[C@@H]2[C@H](C1)CN(c1ccccc1)C21CCN(C2CCCCCCCCC2)CC1 | 10.1021/jm0209174 | |||
| 60154191 | 77597 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 432 | 5 | 0 | 4 | 4.2 | CN(C)C(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1ccsc12 | 10.1021/jm201629q | |||
| CHEMBL2088041 | 77597 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 432 | 5 | 0 | 4 | 4.2 | CN(C)C(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1ccsc12 | 10.1021/jm201629q | |||
| CHEMBL2088042 | 77597 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 432 | 5 | 0 | 4 | 4.2 | CN(C)C(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1ccsc12 | 10.1021/jm201629q | |||
| 24894426 | 185765 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 404 | 3 | 1 | 3 | 5.3 | O[C@H]1C[C@H](CN2CCC(c3c(Cl)cccc3Cl)CC2)CCc2cccnc21 | 10.1021/jm701590h | |||
| CHEMBL486644 | 185765 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 404 | 3 | 1 | 3 | 5.3 | O[C@H]1C[C@H](CN2CCC(c3c(Cl)cccc3Cl)CC2)CCc2cccnc21 | 10.1021/jm701590h | |||
| CHEMBL415584 | 213190 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O | 10.1021/jm0202021 | |||||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2013.01.044 | |||||
| 44297539 | 194678 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 394 | 3 | 0 | 2 | 5.6 | CC(C)C1CCC(N2CCC3(CC2)C(c2ccccc2)C[C@H]2CN(C)C[C@H]23)CC1 | 10.1016/j.bmcl.2003.09.068 | |||
| CHEMBL53256 | 194678 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 394 | 3 | 0 | 2 | 5.6 | CC(C)C1CCC(N2CCC3(CC2)C(c2ccccc2)C[C@H]2CN(C)C[C@H]23)CC1 | 10.1016/j.bmcl.2003.09.068 | |||
| 19347356 | 120526 | 0 | None | -2 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 2 | 1 | 3 | 4.7 | O=C1NCN(c2ccccc2)C12CCN(C1CCCCCCCCCC1)CC2 | 10.1016/s0960-894x(00)00111-6 | |||
| CHEMBL354545 | 120526 | 0 | None | -2 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 2 | 1 | 3 | 4.7 | O=C1NCN(c2ccccc2)C12CCN(C1CCCCCCCCCC1)CC2 | 10.1016/s0960-894x(00)00111-6 | |||
| 9824565 | 87749 | 0 | None | 501 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 440 | 5 | 2 | 3 | 5.5 | NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL233750 | 87749 | 0 | None | 501 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 440 | 5 | 2 | 3 | 5.5 | NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 9866158 | 87928 | 0 | None | 74 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 408 | 5 | 2 | 3 | 4.5 | NCc1ccccc1C1(O)CCN(C(c2ccccc2F)c2ccccc2F)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL233955 | 87928 | 0 | None | 74 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 408 | 5 | 2 | 3 | 4.5 | NCc1ccccc1C1(O)CCN(C(c2ccccc2F)c2ccccc2F)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 44430042 | 154398 | 0 | None | 144 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 406 | 5 | 2 | 3 | 4.9 | NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL398794 | 154398 | 0 | None | 144 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 406 | 5 | 2 | 3 | 4.9 | NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 44430044 | 154747 | 0 | None | 380 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 400 | 5 | 2 | 3 | 4.8 | Cc1ccccc1C(c1ccccc1C)N1CCC(O)(c2ccccc2CN)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL400035 | 154747 | 0 | None | 380 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 400 | 5 | 2 | 3 | 4.8 | Cc1ccccc1C(c1ccccc1C)N1CCC(O)(c2ccccc2CN)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 23383564 | 169348 | 0 | None | 3 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 366 | 8 | 2 | 3 | 4.8 | CCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL441914 | 169348 | 0 | None | 3 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 366 | 8 | 2 | 3 | 4.8 | CCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 25190602 | 179222 | 0 | None | 50 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 486 | 8 | 1 | 4 | 4.6 | O=C1N(CCNCC2CC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL472669 | 179222 | 0 | None | 50 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 486 | 8 | 1 | 4 | 4.6 | O=C1N(CCNCC2CC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| 25190619 | 179304 | 0 | None | 123 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 488 | 7 | 1 | 4 | 5.2 | CC(C)CNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL473279 | 179304 | 0 | None | 123 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 488 | 7 | 1 | 4 | 5.2 | CC(C)CNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 25190622 | 179484 | 0 | None | 131 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 488 | 8 | 1 | 4 | 5.3 | CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL474096 | 179484 | 0 | None | 131 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 488 | 8 | 1 | 4 | 5.3 | CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 25190605 | 180490 | 0 | None | 15 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 488 | 8 | 1 | 4 | 4.9 | CC(C)CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL475310 | 180490 | 0 | None | 15 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 488 | 8 | 1 | 4 | 4.9 | CC(C)CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 25190603 | 189814 | 0 | None | 57 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 486 | 7 | 1 | 4 | 4.8 | O=C1N(CCNC2CCC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL516389 | 189814 | 0 | None | 57 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 486 | 7 | 1 | 4 | 4.8 | O=C1N(CCNC2CCC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| 44437610 | 145517 | 0 | None | 42 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 508 | 10 | 1 | 7 | 4.0 | CNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL391487 | 145517 | 0 | None | 42 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 508 | 10 | 1 | 7 | 4.0 | CNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| 118722882 | 120552 | 0 | None | 43 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 336 | 7 | 1 | 2 | 4.6 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCCc2ccccc2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3325879 | 120552 | 0 | None | 43 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 336 | 7 | 1 | 2 | 4.6 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCCc2ccccc2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3545617 | 120552 | 0 | None | 43 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 336 | 7 | 1 | 2 | 4.6 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCCc2ccccc2)CC1 | 10.1021/ml500116x | |||
| 118711485 | 120555 | 0 | None | -1 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 342 | 6 | 1 | 2 | 4.5 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NC(=O)CCC2CCCC2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3326220 | 120555 | 0 | None | -1 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 342 | 6 | 1 | 2 | 4.5 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NC(=O)CCC2CCCC2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3545621 | 120555 | 0 | None | -1 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 342 | 6 | 1 | 2 | 4.5 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NC(=O)CCC2CCCC2)CC1 | 10.1021/ml500116x | |||
| 11329662 | 96200 | 0 | None | 107 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 508 | 10 | 1 | 7 | 4.0 | CNC(=O)Cn1c(=O)n(C2CCN(CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL260767 | 96200 | 0 | None | 107 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 508 | 10 | 1 | 7 | 4.0 | CNC(=O)Cn1c(=O)n(C2CCN(CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2008.01.005 | |||
| 10022859 | 99168 | 1 | None | 10 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(c2ccccc2)C12CCN(C1Cc3cccc4cccc1c34)CC2 | 10.1021/jm991129q | |||
| CHEMBL281274 | 99168 | 1 | None | 10 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(c2ccccc2)C12CCN(C1Cc3cccc4cccc1c34)CC2 | 10.1021/jm991129q | |||
| 15512228 | 67754 | 0 | None | 8 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(c2ccccc2)C12CCN([C@H]1Cc3cccc4cccc1c34)CC2 | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL1907858 | 67754 | 0 | None | 8 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(c2ccccc2)C12CCN([C@H]1Cc3cccc4cccc1c34)CC2 | 10.1021/acs.jmedchem.5b01499 | |||
| 10927662 | 107124 | 0 | None | 251 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 407 | 2 | 0 | 3 | 4.9 | CN1C[C@@H]2[C@H](C1)CN(c1ccccc1)C21CCN([C@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 | 10.1021/jm0209174 | |||
| CHEMBL316086 | 107124 | 0 | None | 251 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 407 | 2 | 0 | 3 | 4.9 | CN1C[C@@H]2[C@H](C1)CN(c1ccccc1)C21CCN([C@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 | 10.1021/jm0209174 | |||
| 25208249 | 183963 | 0 | None | 194 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 441 | 3 | 0 | 4 | 7.6 | CC1(N2CCC(n3c(-c4cc5ccccc5o4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | |||
| CHEMBL481707 | 183963 | 0 | None | 194 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 441 | 3 | 0 | 4 | 7.6 | CC1(N2CCC(n3c(-c4cc5ccccc5o4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | |||
| CHEMBL3809510 | 212273 | 0 | None | 616 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.5b01976 | |||||
| 68632142 | 153614 | 0 | None | 2 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 480 | 5 | 0 | 2 | 6.7 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)c2cccc(C(F)(F)F)c2)CC1 | nan | |||
| CHEMBL3980782 | 153614 | 0 | None | 2 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 480 | 5 | 0 | 2 | 6.7 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)c2cccc(C(F)(F)F)c2)CC1 | nan | |||
| CHEMBL507269 | 214284 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm800394v | |||||
| 10430819 | 78635 | 0 | None | 363 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 395 | 3 | 0 | 3 | 4.7 | CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(C)C[C@@H]2CN3c2ccccc2)CC1 | 10.1021/jm0209174 | |||
| CHEMBL2112345 | 78635 | 0 | None | 363 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 395 | 3 | 0 | 3 | 4.7 | CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(C)C[C@@H]2CN3c2ccccc2)CC1 | 10.1021/jm0209174 | |||
| 118711490 | 120565 | 0 | None | -2 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 373 | 2 | 1 | 2 | 4.9 | CN(C)[C@]1(c2ccccc2)CC[C@@]2(CC1)c1[nH]c3ccccc3c1CCN2C | 10.1021/ml500117c | |||
| CHEMBL3326229 | 120565 | 0 | None | -2 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 373 | 2 | 1 | 2 | 4.9 | CN(C)[C@]1(c2ccccc2)CC[C@@]2(CC1)c1[nH]c3ccccc3c1CCN2C | 10.1021/ml500117c | |||
| CHEMBL3545631 | 120565 | 0 | None | -2 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 373 | 2 | 1 | 2 | 4.9 | CN(C)[C@]1(c2ccccc2)CC[C@@]2(CC1)c1[nH]c3ccccc3c1CCN2C | 10.1021/ml500117c | |||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm8007618 | |||||
| 44426832 | 85703 | 0 | None | 14 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 371 | 5 | 1 | 2 | 5.3 | CCc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL228848 | 85703 | 0 | None | 14 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 371 | 5 | 1 | 2 | 5.3 | CCc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 44430087 | 86871 | 0 | None | 309 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 615 | 8 | 1 | 5 | 5.9 | CC(C)S(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL232286 | 86871 | 0 | None | 309 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 615 | 8 | 1 | 5 | 5.9 | CC(C)S(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 25190629 | 179113 | 0 | None | 41 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 522 | 8 | 1 | 4 | 6.0 | CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4cc(Cl)ccc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL471880 | 179113 | 0 | None | 41 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 522 | 8 | 1 | 4 | 6.0 | CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4cc(Cl)ccc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 25190604 | 189588 | 0 | None | 21 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 474 | 8 | 1 | 4 | 4.6 | CCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL514662 | 189588 | 0 | None | 21 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 474 | 8 | 1 | 4 | 4.6 | CCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 46879580 | 5866 | 0 | None | 3 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 476 | 4 | 1 | 4 | 3.7 | CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCCCCCCCC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1079400 | 5866 | 0 | None | 3 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 476 | 4 | 1 | 4 | 3.7 | CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCCCCCCCC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL427791 | 213380 | 0 | None | - | 1 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(C#N)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010221v | |||||
| 1682 | 2850 | 18 | None | 3 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm800394v | |||||
| 6324645 | 2850 | 18 | None | 3 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm800394v | |||||
| CHEMBL384755 | 2850 | 18 | None | 3 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm800394v | |||||
| 25207946 | 191296 | 0 | None | 91 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 469 | 3 | 0 | 3 | 7.9 | CC1(N2CCC(n3c(-c4cccc(C(F)(F)F)c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | |||
| CHEMBL519100 | 191296 | 0 | None | 91 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 469 | 3 | 0 | 3 | 7.9 | CC1(N2CCC(n3c(-c4cccc(C(F)(F)F)c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | |||
| 10022859 | 99168 | 1 | None | 10 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(c2ccccc2)C12CCN(C1Cc3cccc4cccc1c34)CC2 | 10.1016/s0960-894x(99)00385-6 | |||
| CHEMBL281274 | 99168 | 1 | None | 10 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(c2ccccc2)C12CCN(C1Cc3cccc4cccc1c34)CC2 | 10.1016/s0960-894x(99)00385-6 | |||
| 11014751 | 112640 | 0 | None | 87 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 395 | 2 | 0 | 3 | 5.0 | CN1C[C@@H]2[C@H](C1)CN(c1ccccc1)C21CCN(C2CCCCCCCC2)CC1 | 10.1021/jm0209174 | |||
| CHEMBL330291 | 112640 | 0 | None | 87 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 395 | 2 | 0 | 3 | 5.0 | CN1C[C@@H]2[C@H](C1)CN(c1ccccc1)C21CCN(C2CCCCCCCC2)CC1 | 10.1021/jm0209174 | |||
| 44253418 | 152068 | 0 | None | -1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 442 | 6 | 0 | 3 | 5.7 | COc1ccc(C(=O)N(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)cc1 | nan | |||
| CHEMBL3967435 | 152068 | 0 | None | -1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 442 | 6 | 0 | 3 | 5.7 | COc1ccc(C(=O)N(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)cc1 | nan | |||
| 11761926 | 78632 | 0 | None | 380 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 437 | 6 | 0 | 3 | 5.9 | CCCCN1C[C@@H]2[C@H](C1)CN(c1ccccc1)C21CCN([C@H]2CC[C@@H](C(C)C)CC2)CC1 | 10.1021/jm0209174 | |||
| CHEMBL2112342 | 78632 | 0 | None | 380 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 437 | 6 | 0 | 3 | 5.9 | CCCCN1C[C@@H]2[C@H](C1)CN(c1ccccc1)C21CCN([C@H]2CC[C@@H](C(C)C)CC2)CC1 | 10.1021/jm0209174 | |||
| 9997843 | 99663 | 0 | None | 8 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 347 | 2 | 1 | 3 | 3.1 | O=C1NCN(c2ccccc2)C12CCN(C1CCc3ccccc31)CC2 | 10.1021/jm991129q | |||
| CHEMBL284414 | 99663 | 0 | None | 8 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 347 | 2 | 1 | 3 | 3.1 | O=C1NCN(c2ccccc2)C12CCN(C1CCc3ccccc31)CC2 | 10.1021/jm991129q | |||
| 9863568 | 142087 | 0 | None | 45 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL388123 | 142087 | 0 | None | 45 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL535844 | 142087 | 0 | None | 45 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL541636 | 142087 | 0 | None | 45 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 44430050 | 87014 | 0 | None | 234 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 454 | 6 | 2 | 3 | 5.8 | CNCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL232477 | 87014 | 0 | None | 234 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 454 | 6 | 2 | 3 | 5.8 | CNCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 44430040 | 87366 | 0 | None | 39 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 386 | 5 | 2 | 3 | 4.5 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL233327 | 87366 | 0 | None | 39 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 386 | 5 | 2 | 3 | 4.5 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 25190625 | 179115 | 0 | None | 37 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 528 | 7 | 1 | 4 | 6.1 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCC2CCCCC2)CN3c2ccccc2)c2ccccc21 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL471882 | 179115 | 0 | None | 37 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 528 | 7 | 1 | 4 | 6.1 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCC2CCCCC2)CN3c2ccccc2)c2ccccc21 | 10.1016/j.bmcl.2008.12.092 | |||
| 25190601 | 180838 | 0 | None | 56 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 474 | 7 | 1 | 4 | 4.6 | CC(C)NCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL475707 | 180838 | 0 | None | 56 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 474 | 7 | 1 | 4 | 4.6 | CC(C)NCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 25190600 | 189653 | 0 | None | 75 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 460 | 7 | 1 | 4 | 4.2 | CCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL515142 | 189653 | 0 | None | 75 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 460 | 7 | 1 | 4 | 4.2 | CCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 118662189 | 174598 | 0 | None | 1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 379 | 4 | 0 | 3 | 4.3 | CN(C)C1(c2ccccc2)CCC2(CCN(C(=O)CC3(C#N)CCC3)C2)CC1 | 10.1021/acsmedchemlett.6b00277 | |||
| CHEMBL4557245 | 174598 | 0 | None | 1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 379 | 4 | 0 | 3 | 4.3 | CN(C)C1(c2ccccc2)CCC2(CCN(C(=O)CC3(C#N)CCC3)C2)CC1 | 10.1021/acsmedchemlett.6b00277 | |||
| 45102745 | 6041 | 0 | None | 97 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 3.4 | CNC(=O)Cn1c(=O)n(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1080485 | 6041 | 0 | None | 97 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 3.4 | CNC(=O)Cn1c(=O)n(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 44252989 | 146434 | 0 | None | -1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 375 | 5 | 1 | 2 | 5.6 | CN(CC1(C)CCC(c2ccccc2)(N(C)C)CC1)c1c[nH]c2ccccc12 | nan | |||
| CHEMBL3921976 | 146434 | 0 | None | -1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 375 | 5 | 1 | 2 | 5.6 | CN(CC1(C)CCC(c2ccccc2)(N(C)C)CC1)c1c[nH]c2ccccc12 | nan | |||
| 25001412 | 62649 | 0 | None | 33 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 8 | 1 | 3 | 5.3 | O=C(NCCCN1CCC(c2c(Cl)cccc2Cl)CC1)[C@H]1CCCN1Cc1ccccc1 | 10.1016/j.bmc.2009.05.068 | |||
| CHEMBL1783826 | 62649 | 0 | None | 33 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 8 | 1 | 3 | 5.3 | O=C(NCCCN1CCC(c2c(Cl)cccc2Cl)CC1)[C@H]1CCCN1Cc1ccccc1 | 10.1016/j.bmc.2009.05.068 | |||
| 53324890 | 57304 | 0 | None | 416 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 469 | 4 | 1 | 4 | 6.6 | OCC1(N2CCC(n3c(-c4ccc(F)c(Cl)c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1016/j.bmc.2010.07.034 | |||
| CHEMBL1650842 | 57304 | 0 | None | 416 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 469 | 4 | 1 | 4 | 6.6 | OCC1(N2CCC(n3c(-c4ccc(F)c(Cl)c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1016/j.bmc.2010.07.034 | |||
| 10928037 | 78638 | 0 | None | 169 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 425 | 5 | 1 | 4 | 4.1 | CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(CCO)C[C@@H]2CN3c2ccccc2)CC1 | 10.1021/jm0209174 | |||
| CHEMBL2112348 | 78638 | 0 | None | 169 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 425 | 5 | 1 | 4 | 4.1 | CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(CCO)C[C@@H]2CN3c2ccccc2)CC1 | 10.1021/jm0209174 | |||
| 1682 | 2850 | 18 | None | -3 | 2 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990075h | |||||
| 6324645 | 2850 | 18 | None | -3 | 2 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990075h | |||||
| CHEMBL384755 | 2850 | 18 | None | -3 | 2 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990075h | |||||
| CHEMBL389521 | 212425 | 0 | None | - | 1 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm990075h | |||||
| CHEMBL405648 | 212570 | 0 | None | - | 1 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010221v | |||||
| 25190618 | 179303 | 0 | None | 218 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 486 | 7 | 1 | 4 | 4.9 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCC2CC2)CN3c2ccccc2)c2ccccc21 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL473278 | 179303 | 0 | None | 218 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 486 | 7 | 1 | 4 | 4.9 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCC2CC2)CN3c2ccccc2)c2ccccc21 | 10.1016/j.bmcl.2008.12.092 | |||
| 25190599 | 190021 | 0 | None | 85 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 446 | 6 | 1 | 4 | 3.9 | CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL517167 | 190021 | 0 | None | 85 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 446 | 6 | 1 | 4 | 3.9 | CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 44438988 | 91208 | 0 | None | 17 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 379 | 2 | 1 | 3 | 3.6 | O=C1NCN(c2ccccc2)C12CCN(C1CCCc3c(F)cccc31)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL240005 | 91208 | 0 | None | 17 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 379 | 2 | 1 | 3 | 3.6 | O=C1NCN(c2ccccc2)C12CCN(C1CCCc3c(F)cccc31)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 118662074 | 170867 | 0 | None | 1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 346 | 4 | 0 | 3 | 5.0 | CN(C)C1(c2cccs2)CCC2(CCN(CC3CCCC3)C2)CC1 | 10.1021/acsmedchemlett.6b00277 | |||
| CHEMBL4454146 | 170867 | 0 | None | 1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 346 | 4 | 0 | 3 | 5.0 | CN(C)C1(c2cccs2)CCC2(CCN(CC3CCCC3)C2)CC1 | 10.1021/acsmedchemlett.6b00277 | |||
| 44253136 | 147319 | 0 | None | 6 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 399 | 6 | 0 | 3 | 5.4 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2cccnc2)CC1 | nan | |||
| CHEMBL3929120 | 147319 | 0 | None | 6 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 399 | 6 | 0 | 3 | 5.4 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2cccnc2)CC1 | nan | |||
| CHEMBL269029 | 210773 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm800394v | |||||
| 44451649 | 96156 | 0 | None | 57 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 518 | 10 | 1 | 8 | 4.4 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ncn[nH]4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL260556 | 96156 | 0 | None | 57 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 518 | 10 | 1 | 8 | 4.4 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ncn[nH]4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL412537 | 213000 | 0 | None | - | 1 | Mouse | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010221v | |||||
| 44430085 | 86860 | 0 | None | 162 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 601 | 8 | 1 | 5 | 5.5 | CCS(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL232285 | 86860 | 0 | None | 162 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 601 | 8 | 1 | 5 | 5.5 | CCS(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 25190616 | 180298 | 0 | None | 223 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 472 | 7 | 1 | 4 | 4.7 | C=CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL475094 | 180298 | 0 | None | 223 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 472 | 7 | 1 | 4 | 4.7 | C=CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 25190614 | 189564 | 0 | None | 37 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 514 | 6 | 1 | 4 | 5.9 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCCCC2)CN3c2ccccc2)c2ccccc21 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL514463 | 189564 | 0 | None | 37 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 514 | 6 | 1 | 4 | 5.9 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCCCC2)CN3c2ccccc2)c2ccccc21 | 10.1016/j.bmcl.2008.12.092 | |||
| 25190613 | 189645 | 0 | None | 54 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 500 | 6 | 1 | 4 | 5.5 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCCC2)CN3c2ccccc2)c2ccccc21 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL515091 | 189645 | 0 | None | 54 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 500 | 6 | 1 | 4 | 5.5 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCCC2)CN3c2ccccc2)c2ccccc21 | 10.1016/j.bmcl.2008.12.092 | |||
| 18782352 | 91130 | 0 | None | 38 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 379 | 2 | 1 | 3 | 3.6 | O=C1NCN(c2ccccc2)C12CCN(C1CCCc3ccc(F)cc31)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL239824 | 91130 | 0 | None | 38 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 379 | 2 | 1 | 3 | 3.6 | O=C1NCN(c2ccccc2)C12CCN(C1CCCc3ccc(F)cc31)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 11848225 | 876 | 52 | None | -4 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/ml500117c | |||
| 8866 | 876 | 52 | None | -4 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/ml500117c | |||
| CHEMBL2364605 | 876 | 52 | None | -4 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/ml500117c | |||
| CHEMBL3545616 | 876 | 52 | None | -4 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/ml500117c | |||
| CHEMBL3962932 | 876 | 52 | None | -4 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/ml500117c | |||
| DB12830 | 876 | 52 | None | -4 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/ml500117c | |||
| 11848225 | 876 | 52 | None | -4 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/acs.jmedchem.5b01499 | |||
| 8866 | 876 | 52 | None | -4 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL2364605 | 876 | 52 | None | -4 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL3545616 | 876 | 52 | None | -4 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL3962932 | 876 | 52 | None | -4 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/acs.jmedchem.5b01499 | |||
| DB12830 | 876 | 52 | None | -4 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/acs.jmedchem.5b01499 | |||
| 1682 | 2850 | 18 | None | -3 | 2 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010221v | |||||
| 6324645 | 2850 | 18 | None | -3 | 2 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010221v | |||||
| CHEMBL384755 | 2850 | 18 | None | -3 | 2 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010221v | |||||
| 10000890 | 120629 | 0 | None | -3 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 397 | 2 | 1 | 3 | 5.1 | O=C1NCN(c2ccccc2)C12CCN(C1CCCCCCCCCCC1)CC2 | 10.1016/s0960-894x(00)00111-6 | |||
| CHEMBL354652 | 120629 | 0 | None | -3 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 397 | 2 | 1 | 3 | 5.1 | O=C1NCN(c2ccccc2)C12CCN(C1CCCCCCCCCCC1)CC2 | 10.1016/s0960-894x(00)00111-6 | |||
| 53322245 | 57310 | 0 | None | 288 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 439 | 4 | 2 | 6 | 3.9 | CC1CN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CCN1 | 10.1016/j.bmc.2010.07.034 | |||
| CHEMBL1650848 | 57310 | 0 | None | 288 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 439 | 4 | 2 | 6 | 3.9 | CC1CN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CCN1 | 10.1016/j.bmc.2010.07.034 | |||
| 70690760 | 76663 | 0 | None | 85 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 433 | 5 | 0 | 3 | 3.9 | Cc1cccc(C)c1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| CHEMBL2064160 | 76663 | 0 | None | 85 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 433 | 5 | 0 | 3 | 3.9 | Cc1cccc(C)c1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| CHEMBL406905 | 212627 | 0 | None | - | 1 | Mouse | 9.0 | pKi | = | 9 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1CCCCC1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm990075h | |||||
| 44248674 | 103398 | 0 | None | 602 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 442 | 4 | 0 | 2 | 6.8 | CN1CCCCC1[C@@H]1C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1021/jm9008218 | |||
| CHEMBL3084677 | 103398 | 0 | None | 602 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 442 | 4 | 0 | 2 | 6.8 | CN1CCCCC1[C@@H]1C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1021/jm9008218 | |||
| 10109899 | 85708 | 0 | None | 28 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 373 | 5 | 1 | 3 | 4.8 | COc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL228857 | 85708 | 0 | None | 28 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 373 | 5 | 1 | 3 | 4.8 | COc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 25190615 | 179299 | 0 | None | 42 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 474 | 7 | 1 | 4 | 4.9 | CCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL473272 | 179299 | 0 | None | 42 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 474 | 7 | 1 | 4 | 4.9 | CCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 25190606 | 179356 | 0 | None | 56 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 488 | 8 | 0 | 4 | 5.0 | CCN(CC)CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL473701 | 179356 | 0 | None | 56 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 488 | 8 | 0 | 4 | 5.0 | CCN(CC)CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 44437619 | 91226 | 0 | None | 22 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 497 | 10 | 0 | 7 | 5.6 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CSC)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL240074 | 91226 | 0 | None | 22 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 497 | 10 | 0 | 7 | 5.6 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CSC)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| 44437610 | 145517 | 0 | None | 42 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 508 | 10 | 1 | 7 | 4.0 | CNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| 44437610 | 145517 | 0 | None | 42 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 508 | 10 | 1 | 7 | 4.0 | CNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL391487 | 145517 | 0 | None | 42 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 508 | 10 | 1 | 7 | 4.0 | CNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL391487 | 145517 | 0 | None | 42 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 508 | 10 | 1 | 7 | 4.0 | CNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2008.01.005 | |||
| 10301207 | 148653 | 0 | None | 26 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 511 | 11 | 0 | 7 | 5.6 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCSC)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL393960 | 148653 | 0 | None | 26 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 511 | 11 | 0 | 7 | 5.6 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCSC)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| 11956680 | 120556 | 0 | None | -2 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 376 | 2 | 2 | 3 | 4.7 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3cc(O)ccc3[nH]c12 | 10.1021/ml500117c | |||
| CHEMBL3325961 | 120556 | 0 | None | -2 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 376 | 2 | 2 | 3 | 4.7 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3cc(O)ccc3[nH]c12 | 10.1021/ml500117c | |||
| CHEMBL3545622 | 120556 | 0 | None | -2 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 376 | 2 | 2 | 3 | 4.7 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3cc(O)ccc3[nH]c12 | 10.1021/ml500117c | |||
| CHEMBL265544 | 210651 | 0 | None | - | 1 | Mouse | 9.0 | pKi | = | 9 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010221v | |||||
| CHEMBL436732 | 213685 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O | 10.1021/jm0202021 | |||||
| 44430043 | 87546 | 0 | None | 66 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 450 | 5 | 2 | 3 | 5.0 | NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2Br)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL233536 | 87546 | 0 | None | 66 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 450 | 5 | 2 | 3 | 5.0 | NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2Br)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 24894428 | 186325 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 370 | 3 | 1 | 3 | 4.6 | O[C@H]1C[C@H](CN2CCC(c3ccccc3Cl)CC2)CCc2cccnc21 | 10.1021/jm701590h | |||
| CHEMBL487485 | 186325 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 370 | 3 | 1 | 3 | 4.6 | O[C@H]1C[C@H](CN2CCC(c3ccccc3Cl)CC2)CCc2cccnc21 | 10.1021/jm701590h | |||
| 44438961 | 144982 | 0 | None | 11 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 377 | 6 | 1 | 3 | 4.3 | CCCCC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL391082 | 144982 | 0 | None | 11 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 377 | 6 | 1 | 3 | 4.3 | CCCCC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2007.01.069 | |||
| 118662342 | 171653 | 0 | None | -1 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 390 | 6 | 0 | 4 | 4.3 | COC1(CCN2CC3(CCC(c4cccs4)(N(C)C)CC3)CC2=O)CCC1 | 10.1021/acsmedchemlett.6b00277 | |||
| CHEMBL4466096 | 171653 | 0 | None | -1 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 390 | 6 | 0 | 4 | 4.3 | COC1(CCN2CC3(CCC(c4cccs4)(N(C)C)CC3)CC2=O)CCC1 | 10.1021/acsmedchemlett.6b00277 | |||
| 9925137 | 120560 | 0 | None | 8 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 361 | 6 | 2 | 2 | 4.7 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCc2c[nH]c3ccccc23)CC1 | 10.1021/ml500116x | |||
| CHEMBL3326222 | 120560 | 0 | None | 8 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 361 | 6 | 2 | 2 | 4.7 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCc2c[nH]c3ccccc23)CC1 | 10.1021/ml500116x | |||
| CHEMBL3545626 | 120560 | 0 | None | 8 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 361 | 6 | 2 | 2 | 4.7 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCc2c[nH]c3ccccc23)CC1 | 10.1021/ml500116x | |||
| 24798599 | 120569 | 0 | None | -3 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 346 | 2 | 2 | 2 | 4.6 | CN[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3ccccc3[nH]c12 | 10.1021/ml500117c | |||
| CHEMBL3326232 | 120569 | 0 | None | -3 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 346 | 2 | 2 | 2 | 4.6 | CN[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3ccccc3[nH]c12 | 10.1021/ml500117c | |||
| CHEMBL3545637 | 120569 | 0 | None | -3 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 346 | 2 | 2 | 2 | 4.6 | CN[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3ccccc3[nH]c12 | 10.1021/ml500117c | |||
| 58358709 | 125799 | 0 | None | 56 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 449 | 3 | 1 | 5 | 4.9 | C[C@H]1C[C@H]2C[C@@H](C1)C[C@H](N1[C@H]3CCC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc4ccccc41)C3)C2 | nan | |||
| CHEMBL3647962 | 125799 | 0 | None | 56 | 4 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 449 | 3 | 1 | 5 | 4.9 | C[C@H]1C[C@H]2C[C@@H](C1)C[C@H](N1[C@H]3CCC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc4ccccc41)C3)C2 | nan | |||
| 1684 | 3360 | 21 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 401 | 2 | 1 | 3 | 4.4 | O=C1NCN(C21CCN(CC2)[C@H]1CC[C@H]2c3c1cccc3CCC2)c1ccccc1 | 10.1021/jm201629q | |||
| 9844019 | 3360 | 21 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 401 | 2 | 1 | 3 | 4.4 | O=C1NCN(C21CCN(CC2)[C@H]1CC[C@H]2c3c1cccc3CCC2)c1ccccc1 | 10.1021/jm201629q | |||
| CHEMBL2088034 | 3360 | 21 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 401 | 2 | 1 | 3 | 4.4 | O=C1NCN(C21CCN(CC2)[C@H]1CC[C@H]2c3c1cccc3CCC2)c1ccccc1 | 10.1021/jm201629q | |||
| 9997843 | 99663 | 0 | None | 8 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 347 | 2 | 1 | 3 | 3.1 | O=C1NCN(c2ccccc2)C12CCN(C1CCc3ccccc31)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL284414 | 99663 | 0 | None | 8 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 347 | 2 | 1 | 3 | 3.1 | O=C1NCN(c2ccccc2)C12CCN(C1CCc3ccccc31)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 44451621 | 95911 | 0 | None | 35 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 534 | 10 | 0 | 8 | 5.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cscn4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL259263 | 95911 | 0 | None | 35 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 534 | 10 | 0 | 8 | 5.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cscn4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 10430819 | 78635 | 0 | None | 363 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 395 | 3 | 0 | 3 | 4.7 | CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(C)C[C@@H]2CN3c2ccccc2)CC1 | 10.1021/jm0209174 | |||
| CHEMBL2112345 | 78635 | 0 | None | 363 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 395 | 3 | 0 | 3 | 4.7 | CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(C)C[C@@H]2CN3c2ccccc2)CC1 | 10.1021/jm0209174 | |||
| 15512234 | 105445 | 0 | None | 15 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 417 | 2 | 1 | 3 | 4.5 | O=C1NCN(c2cccc(Cl)c2)C12CCN(C1Cc3cccc4cccc1c34)CC2 | 10.1016/s0960-894x(99)00385-6 | |||
| CHEMBL312021 | 105445 | 0 | None | 15 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 417 | 2 | 1 | 3 | 4.5 | O=C1NCN(c2cccc(Cl)c2)C12CCN(C1Cc3cccc4cccc1c34)CC2 | 10.1016/s0960-894x(99)00385-6 | |||
| 68917692 | 113989 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 358 | 2 | 1 | 1 | 5.8 | CN(C)[C@]1(c2ccccc2)CC[C@@]2(CCCc3c4ccccc4[nH]c32)CC1 | 10.1021/ml500117c | |||
| CHEMBL3326231 | 113989 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 358 | 2 | 1 | 1 | 5.8 | CN(C)[C@]1(c2ccccc2)CC[C@@]2(CCCc3c4ccccc4[nH]c32)CC1 | 10.1021/ml500117c | |||
| 44224242 | 147983 | 0 | None | 6 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 398 | 6 | 0 | 2 | 6.0 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2ccccc2)CC1 | nan | |||
| CHEMBL3934183 | 147983 | 0 | None | 6 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 398 | 6 | 0 | 2 | 6.0 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2ccccc2)CC1 | nan | |||
| 25190624 | 91129 | 0 | None | 37 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 389 | 2 | 1 | 3 | 4.2 | CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccccc21 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL239822 | 91129 | 0 | None | 37 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 389 | 2 | 1 | 3 | 4.2 | CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccccc21 | 10.1016/j.bmcl.2008.12.092 | |||
| 25190624 | 91129 | 0 | None | 37 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 389 | 2 | 1 | 3 | 4.2 | CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccccc21 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL239822 | 91129 | 0 | None | 37 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 389 | 2 | 1 | 3 | 4.2 | CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccccc21 | 10.1016/j.bmcl.2007.01.069 | |||
| 46880033 | 7622 | 0 | None | 26 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 438 | 4 | 1 | 5 | 4.1 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCCC4(CCCCC4)C3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1088171 | 7622 | 0 | None | 26 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 438 | 4 | 1 | 5 | 4.1 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCCC4(CCCCC4)C3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 9905428 | 4407 | 16 | None | 21 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 326 | 2 | 0 | 2 | 4.2 | O=C1Cc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 | 10.1021/jm034249d | |||
| CHEMBL101454 | 4407 | 16 | None | 21 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 326 | 2 | 0 | 2 | 4.2 | O=C1Cc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 | 10.1021/jm034249d | |||
| 9905428 | 4407 | 16 | None | 21 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 326 | 2 | 0 | 2 | 4.2 | O=C1Cc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 | 10.1016/j.bmcl.2013.03.101 | |||
| CHEMBL101454 | 4407 | 16 | None | 21 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 326 | 2 | 0 | 2 | 4.2 | O=C1Cc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 | 10.1016/j.bmcl.2013.03.101 | |||
| 10714523 | 99105 | 1 | None | 22 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 375 | 2 | 1 | 3 | 3.8 | Cc1cccc2c1CCCC2N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm991129q | |||
| CHEMBL280827 | 99105 | 1 | None | 22 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 375 | 2 | 1 | 3 | 3.8 | Cc1cccc2c1CCCC2N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1021/jm991129q | |||
| 25190621 | 179377 | 0 | None | 48 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 486 | 5 | 0 | 4 | 5.0 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCN2CCCC2)CN3c2ccccc2)c2ccccc21 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL473898 | 179377 | 0 | None | 48 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 486 | 5 | 0 | 4 | 5.0 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCN2CCCC2)CN3c2ccccc2)c2ccccc21 | 10.1016/j.bmcl.2008.12.092 | |||
| 25190612 | 189569 | 0 | None | 47 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 474 | 6 | 1 | 4 | 4.9 | CC(C)NCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL514489 | 189569 | 0 | None | 47 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 474 | 6 | 1 | 4 | 4.9 | CC(C)NCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 9947044 | 98269 | 0 | None | 15 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 361 | 2 | 1 | 3 | 3.5 | O=C1NCN(c2ccccc2)C12CCN(C1CCCc3ccccc31)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL27460 | 98269 | 0 | None | 15 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 361 | 2 | 1 | 3 | 3.5 | O=C1NCN(c2ccccc2)C12CCN(C1CCCc3ccccc31)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 44439000 | 148468 | 0 | None | 34 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 423 | 2 | 1 | 3 | 4.9 | CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL393807 | 148468 | 0 | None | 34 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 423 | 2 | 1 | 3 | 4.9 | CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2007.01.069 | |||
| 9905428 | 4407 | 16 | None | 21 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 326 | 2 | 0 | 2 | 4.2 | O=C1Cc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 | 10.1021/acs.jmedchem.5b00982 | |||
| CHEMBL101454 | 4407 | 16 | None | 21 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 326 | 2 | 0 | 2 | 4.2 | O=C1Cc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 | 10.1021/acs.jmedchem.5b00982 | |||
| 9905428 | 4407 | 16 | None | 21 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 326 | 2 | 0 | 2 | 4.2 | O=C1Cc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL101454 | 4407 | 16 | None | 21 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 326 | 2 | 0 | 2 | 4.2 | O=C1Cc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 | 10.1021/acs.jmedchem.5b01499 | |||
| 44451918 | 96091 | 0 | None | 31 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 533 | 10 | 0 | 7 | 6.4 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cccs4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL260169 | 96091 | 0 | None | 31 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 533 | 10 | 0 | 7 | 6.4 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cccs4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 68633222 | 150133 | 0 | None | 27 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 416 | 6 | 0 | 2 | 6.2 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2cccc(F)c2)CC1 | nan | |||
| CHEMBL3951319 | 150133 | 0 | None | 27 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 416 | 6 | 0 | 2 | 6.2 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2cccc(F)c2)CC1 | nan | |||
| 49843555 | 57306 | 0 | None | 138 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 451 | 4 | 2 | 6 | 3.8 | OCC1(N2CCC(n3c(N4CC5CNCC5C4)nc4ccccc43)CC2)CCCCCCC1 | 10.1016/j.bmc.2010.07.034 | |||
| CHEMBL1650844 | 57306 | 0 | None | 138 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 451 | 4 | 2 | 6 | 3.8 | OCC1(N2CCC(n3c(N4CC5CNCC5C4)nc4ccccc43)CC2)CCCCCCC1 | 10.1016/j.bmc.2010.07.034 | |||
| 134578457 | 173953 | 0 | None | 309 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 407 | 5 | 0 | 3 | 6.1 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN4CCCC4)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| CHEMBL4541337 | 173953 | 0 | None | 309 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 407 | 5 | 0 | 3 | 6.1 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN4CCCC4)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| 25190617 | 179479 | 0 | None | 29 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 486 | 6 | 1 | 4 | 5.1 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCC2)CN3c2ccccc2)c2ccccc21 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL474092 | 179479 | 0 | None | 29 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 486 | 6 | 1 | 4 | 5.1 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCC2)CN3c2ccccc2)c2ccccc21 | 10.1016/j.bmcl.2008.12.092 | |||
| 44438962 | 166595 | 0 | None | 16 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 391 | 6 | 1 | 3 | 4.6 | CC(C)CCC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL428033 | 166595 | 0 | None | 16 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 391 | 6 | 1 | 3 | 4.6 | CC(C)CCC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2007.01.069 | |||
| 19347398 | 120460 | 0 | None | -1 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 4.6 | O=C1NCN(c2ccccc2)C12CCN([C@H]1CC[C@@H](C3CCCCC3)CC1)CC2 | 10.1016/s0960-894x(00)00111-6 | |||
| CHEMBL354065 | 120460 | 0 | None | -1 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 4.6 | O=C1NCN(c2ccccc2)C12CCN([C@H]1CC[C@@H](C3CCCCC3)CC1)CC2 | 10.1016/s0960-894x(00)00111-6 | |||
| 44451595 | 95968 | 0 | None | 25 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 533 | 10 | 0 | 7 | 6.4 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ccsc4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL259511 | 95968 | 0 | None | 25 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 533 | 10 | 0 | 7 | 6.4 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ccsc4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 44252684 | 143406 | 0 | None | 5 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 364 | 7 | 0 | 2 | 5.6 | CCCCN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| CHEMBL3898034 | 143406 | 0 | None | 5 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 364 | 7 | 0 | 2 | 5.6 | CCCCN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| 15512243 | 102920 | 0 | None | 15 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 401 | 2 | 1 | 3 | 4.0 | O=C1NCN(c2ccc(F)cc2)C12CCN(C1Cc3cccc4cccc1c34)CC2 | 10.1016/s0960-894x(99)00385-6 | |||
| CHEMBL306150 | 102920 | 0 | None | 15 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 401 | 2 | 1 | 3 | 4.0 | O=C1NCN(c2ccc(F)cc2)C12CCN(C1Cc3cccc4cccc1c34)CC2 | 10.1016/s0960-894x(99)00385-6 | |||
| 15512240 | 205070 | 0 | None | 19 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 417 | 2 | 1 | 3 | 4.5 | O=C1NCN(c2ccc(Cl)cc2)C12CCN(C1Cc3cccc4cccc1c34)CC2 | 10.1016/s0960-894x(99)00385-6 | |||
| CHEMBL77324 | 205070 | 0 | None | 19 | 3 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 417 | 2 | 1 | 3 | 4.5 | O=C1NCN(c2ccc(Cl)cc2)C12CCN(C1Cc3cccc4cccc1c34)CC2 | 10.1016/s0960-894x(99)00385-6 | |||
| 44252536 | 153291 | 0 | None | -6 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 441 | 6 | 1 | 2 | 5.8 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)NCc2ccccc2)CC1 | nan | |||
| CHEMBL3977883 | 153291 | 0 | None | -6 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 441 | 6 | 1 | 2 | 5.8 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)NCc2ccccc2)CC1 | nan | |||
| 44430023 | 87521 | 0 | None | 79 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 372 | 5 | 2 | 3 | 4.2 | NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL233503 | 87521 | 0 | None | 79 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 372 | 5 | 2 | 3 | 4.2 | NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 25190611 | 179975 | 0 | None | 23 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 460 | 6 | 1 | 4 | 4.6 | CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL474687 | 179975 | 0 | None | 23 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 460 | 6 | 1 | 4 | 4.6 | CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 118662159 | 173714 | 0 | None | -1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 379 | 5 | 0 | 3 | 4.3 | CN(C)C1(c2ccccc2)CCC2(CC1)CC(=O)N(CCC1(C#N)CCC1)C2 | 10.1021/acsmedchemlett.6b00277 | |||
| CHEMBL4536065 | 173714 | 0 | None | -1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 379 | 5 | 0 | 3 | 4.3 | CN(C)C1(c2ccccc2)CCC2(CC1)CC(=O)N(CCC1(C#N)CCC1)C2 | 10.1021/acsmedchemlett.6b00277 | |||
| 11315651 | 77594 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 403 | 5 | 0 | 5 | 3.1 | CN(C)C(=O)C(Cc1cscn1)CN1CCC2(CC1)OCc1ccc(F)cc12 | 10.1021/jm201629q | |||
| CHEMBL2088037 | 77594 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 403 | 5 | 0 | 5 | 3.1 | CN(C)C(=O)C(Cc1cscn1)CN1CCC2(CC1)OCc1ccc(F)cc12 | 10.1021/jm201629q | |||
| 10961428 | 78636 | 0 | None | 102 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 453 | 5 | 0 | 3 | 5.7 | CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(CC4CC4)C[C@@H]2CN3c2ccc(F)cc2)CC1 | 10.1021/jm0209174 | |||
| CHEMBL2112346 | 78636 | 0 | None | 102 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 453 | 5 | 0 | 3 | 5.7 | CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(CC4CC4)C[C@@H]2CN3c2ccc(F)cc2)CC1 | 10.1021/jm0209174 | |||
| 10950562 | 78637 | 0 | None | 81 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 457 | 4 | 0 | 3 | 6.3 | CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(c4ccccc4)C[C@@H]2CN3c2ccccc2)CC1 | 10.1021/jm0209174 | |||
| CHEMBL2112347 | 78637 | 0 | None | 81 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 457 | 4 | 0 | 3 | 6.3 | CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(c4ccccc4)C[C@@H]2CN3c2ccccc2)CC1 | 10.1021/jm0209174 | |||
| 44451569 | 96396 | 0 | None | 58 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 535 | 10 | 0 | 9 | 5.2 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ncsn4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL261839 | 96396 | 0 | None | 58 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 535 | 10 | 0 | 9 | 5.2 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ncsn4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 11848793 | 189322 | 0 | None | 22 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 464 | 5 | 1 | 2 | 6.1 | NC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL512414 | 189322 | 0 | None | 22 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 464 | 5 | 1 | 2 | 6.1 | NC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 25190609 | 179624 | 0 | None | 34 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 433 | 4 | 1 | 4 | 3.9 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCO)CN3c2ccccc2)c2ccccc21 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL474283 | 179624 | 0 | None | 34 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 433 | 4 | 1 | 4 | 3.9 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCO)CN3c2ccccc2)c2ccccc21 | 10.1016/j.bmcl.2008.12.092 | |||
| 25208247 | 183943 | 0 | None | 89 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 440 | 3 | 1 | 3 | 7.3 | CC1(N2CCC(n3c(-c4ccc5cc[nH]c5c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | |||
| CHEMBL481548 | 183943 | 0 | None | 89 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 440 | 3 | 1 | 3 | 7.3 | CC1(N2CCC(n3c(-c4ccc5cc[nH]c5c4)nc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | |||
| 45102745 | 7556 | 0 | None | 117 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 3.4 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1087657 | 7556 | 0 | None | 117 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 3.4 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 44451649 | 96156 | 0 | None | 57 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 518 | 10 | 1 | 8 | 4.4 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ncn[nH]4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL260556 | 96156 | 0 | None | 57 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 518 | 10 | 1 | 8 | 4.4 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ncn[nH]4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 11626062 | 138947 | 0 | None | 79 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 426 | 2 | 2 | 3 | 4.1 | Oc1ccc(Br)c2c1CNC(CN1CCC3(CCc4ccccc43)CC1)C2 | 10.1016/j.ejmech.2016.02.014 | |||
| CHEMBL3785095 | 138947 | 0 | None | 79 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 426 | 2 | 2 | 3 | 4.1 | Oc1ccc(Br)c2c1CNC(CN1CCC3(CCc4ccccc43)CC1)C2 | 10.1016/j.ejmech.2016.02.014 | |||
| CHEMBL507653 | 214442 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm800394v | |||||
| 10766007 | 30895 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 451 | 5 | 2 | 4 | 6.0 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(C(F)(F)F)cc3)ccc2n1 | 10.1021/jm0002073 | |||
| CHEMBL139776 | 30895 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 451 | 5 | 2 | 4 | 6.0 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(C(F)(F)F)cc3)ccc2n1 | 10.1021/jm0002073 | |||
| 10789513 | 31804 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 445 | 7 | 2 | 4 | 6.3 | CCCc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1 | 10.1021/jm0002073 | |||
| CHEMBL140640 | 31804 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 445 | 7 | 2 | 4 | 6.3 | CCCc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1 | 10.1021/jm0002073 | |||
| 10765154 | 168293 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 431 | 6 | 2 | 4 | 5.9 | CCc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1 | 10.1021/jm0002073 | |||
| CHEMBL434060 | 168293 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 431 | 6 | 2 | 4 | 5.9 | CCc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1 | 10.1021/jm0002073 | |||
| 9958643 | 87929 | 0 | None | 151 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 528 | 5 | 2 | 3 | 5.7 | NCc1ccccc1C1(O)CCN(C(c2ccccc2Br)c2ccccc2Br)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL233956 | 87929 | 0 | None | 151 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 528 | 5 | 2 | 3 | 5.7 | NCc1ccccc1C1(O)CCN(C(c2ccccc2Br)c2ccccc2Br)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 25190628 | 189169 | 0 | None | 7 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 494 | 8 | 1 | 4 | 5.2 | CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCCc4c(Cl)cccc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL511161 | 189169 | 0 | None | 7 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 494 | 8 | 1 | 4 | 5.2 | CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCCc4c(Cl)cccc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL406097 | 212593 | 0 | None | - | 1 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010221v | |||||
| 60154191 | 77597 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 432 | 5 | 0 | 4 | 4.2 | CN(C)C(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1ccsc12 | 10.1021/jm201629q | |||
| CHEMBL2088041 | 77597 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 432 | 5 | 0 | 4 | 4.2 | CN(C)C(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1ccsc12 | 10.1021/jm201629q | |||
| CHEMBL2088042 | 77597 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 432 | 5 | 0 | 4 | 4.2 | CN(C)C(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1ccsc12 | 10.1021/jm201629q | |||
| 44451748 | 161030 | 0 | None | 20 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 518 | 10 | 0 | 9 | 4.3 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cn4cncn4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL411643 | 161030 | 0 | None | 20 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 518 | 10 | 0 | 9 | 4.3 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cn4cncn4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 44430083 | 86766 | 0 | None | 75 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 509 | 6 | 2 | 4 | 5.5 | OC1(c2ccccc2CN2CCNCC2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL232075 | 86766 | 0 | None | 75 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 509 | 6 | 2 | 4 | 5.5 | OC1(c2ccccc2CN2CCNCC2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 44574588 | 178434 | 0 | None | 54 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 443 | 4 | 1 | 2 | 6.9 | Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2CCCC2)C3)c(Cl)c1 | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL466067 | 178434 | 0 | None | 54 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 443 | 4 | 1 | 2 | 6.9 | Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2CCCC2)C3)c(Cl)c1 | 10.1016/j.bmcl.2009.03.031 | |||
| 12986253 | 120550 | 0 | None | -2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 379 | 7 | 2 | 2 | 4.3 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NC(=O)NCCCc2ccccc2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3325881 | 120550 | 0 | None | -2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 379 | 7 | 2 | 2 | 4.3 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NC(=O)NCCCc2ccccc2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3545610 | 120550 | 0 | None | -2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 379 | 7 | 2 | 2 | 4.3 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NC(=O)NCCCc2ccccc2)CC1 | 10.1021/ml500116x | |||
| 19347402 | 120453 | 0 | None | 4 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 341 | 2 | 1 | 3 | 3.5 | O=C1NCN(c2ccccc2)C12CCN(C1CCCCCCC1)CC2 | 10.1016/s0960-894x(00)00111-6 | |||
| CHEMBL353990 | 120453 | 0 | None | 4 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 341 | 2 | 1 | 3 | 3.5 | O=C1NCN(c2ccccc2)C12CCN(C1CCCCCCC1)CC2 | 10.1016/s0960-894x(00)00111-6 | |||
| CHEMBL265801 | 210661 | 0 | None | - | 1 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(N)=O | 10.1021/jm010221v | |||||
| 15512228 | 67754 | 0 | None | 8 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(c2ccccc2)C12CCN([C@H]1Cc3cccc4cccc1c34)CC2 | 10.1016/s0960-894x(99)00385-6 | |||
| CHEMBL1907858 | 67754 | 0 | None | 8 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(c2ccccc2)C12CCN([C@H]1Cc3cccc4cccc1c34)CC2 | 10.1016/s0960-894x(99)00385-6 | |||
| 44451650 | 96201 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 11 | 0 | 7 | 4.9 | COCCn1c(=O)n(C2CCN(CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL260768 | 96201 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 11 | 0 | 7 | 4.9 | COCCn1c(=O)n(C2CCN(CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL410396 | 212816 | 17 | None | -1 | 2 | Mouse | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm990075h | |||||
| 44252685 | 151291 | 0 | None | 1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 502 | 7 | 0 | 2 | 7.2 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)C(c2ccccc2)c2ccccc2)CC1 | nan | |||
| CHEMBL3960588 | 151291 | 0 | None | 1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 502 | 7 | 0 | 2 | 7.2 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)C(c2ccccc2)c2ccccc2)CC1 | nan | |||
| 44248920 | 103391 | 0 | None | 27 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 436 | 4 | 0 | 2 | 7.2 | Cc1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1 | 10.1021/jm9008218 | |||
| CHEMBL3084667 | 103391 | 0 | None | 27 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 436 | 4 | 0 | 2 | 7.2 | Cc1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1 | 10.1021/jm9008218 | |||
| 44413442 | 79941 | 0 | None | 26 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 400 | 2 | 1 | 1 | 6.8 | Cc1[nH]c2ccc(Cl)cc2c1C1CCN(C2Cc3cccc4cccc2c34)CC1 | 10.1016/j.bmcl.2006.03.094 | |||
| CHEMBL212575 | 79941 | 0 | None | 26 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 400 | 2 | 1 | 1 | 6.8 | Cc1[nH]c2ccc(Cl)cc2c1C1CCN(C2Cc3cccc4cccc2c34)CC1 | 10.1016/j.bmcl.2006.03.094 | |||
| 118718290 | 115326 | 0 | None | 56 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 464 | 6 | 1 | 2 | 6.9 | CNC[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349274 | 115326 | 0 | None | 56 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 464 | 6 | 1 | 2 | 6.9 | CNC[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 11462727 | 189378 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 3.2 | Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O | 10.1021/jm701590h | |||
| CHEMBL512896 | 189378 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 3.2 | Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O | 10.1021/jm701590h | |||
| 44574892 | 178660 | 0 | None | 33 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 506 | 6 | 1 | 2 | 7.2 | CC(C)NC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL467699 | 178660 | 0 | None | 33 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 506 | 6 | 1 | 2 | 7.2 | CC(C)NC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 22725091 | 189409 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 439 | 4 | 1 | 4 | 5.4 | OC1(c2cccnn2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL513171 | 189409 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 439 | 4 | 1 | 4 | 5.4 | OC1(c2cccnn2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 76335142 | 103328 | 0 | None | 34 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 483 | 5 | 1 | 3 | 5.7 | NC(=O)[C@@]1(c2cccc(F)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084540 | 103328 | 0 | None | 34 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 483 | 5 | 1 | 3 | 5.7 | NC(=O)[C@@]1(c2cccc(F)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 76335143 | 103334 | 0 | None | 34 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 437 | 4 | 1 | 3 | 6.0 | N[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084547 | 103334 | 0 | None | 34 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 437 | 4 | 1 | 3 | 6.0 | N[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 76313424 | 103337 | 0 | None | 60 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 497 | 5 | 1 | 3 | 6.3 | CC(=O)N[C@@]1(c2ccc(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084550 | 103337 | 0 | None | 60 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 497 | 5 | 1 | 3 | 6.3 | CC(=O)N[C@@]1(c2ccc(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 76335144 | 103338 | 0 | None | 74 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 495 | 5 | 1 | 4 | 6.4 | COC(=O)N[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084551 | 103338 | 0 | None | 74 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 495 | 5 | 1 | 4 | 6.4 | COC(=O)N[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 76313425 | 103341 | 0 | None | 28 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 512 | 6 | 1 | 2 | 7.1 | NC(=O)[C@@]1(Cc2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084554 | 103341 | 0 | None | 28 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 512 | 6 | 1 | 2 | 7.1 | NC(=O)[C@@]1(Cc2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 15512239 | 205120 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 451 | 2 | 1 | 3 | 4.9 | O=C1NCN(c2cccc(C(F)(F)F)c2)C12CCN(C1Cc3cccc4cccc1c34)CC2 | 10.1016/s0960-894x(99)00385-6 | |||
| CHEMBL77877 | 205120 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 451 | 2 | 1 | 3 | 4.9 | O=C1NCN(c2cccc(C(F)(F)F)c2)C12CCN(C1Cc3cccc4cccc1c34)CC2 | 10.1016/s0960-894x(99)00385-6 | |||
| 44315305 | 205158 | 0 | None | 1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 411 | 2 | 1 | 3 | 4.5 | Cc1cc(C)cc(N2CNC(=O)C23CCN(C2Cc4cccc5cccc2c45)CC3)c1 | 10.1016/s0960-894x(99)00385-6 | |||
| CHEMBL78163 | 205158 | 0 | None | 1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 411 | 2 | 1 | 3 | 4.5 | Cc1cc(C)cc(N2CNC(=O)C23CCN(C2Cc4cccc5cccc2c45)CC3)c1 | 10.1016/s0960-894x(99)00385-6 | |||
| 44437630 | 145560 | 0 | None | 6 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 481 | 10 | 1 | 7 | 4.2 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCO)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL391518 | 145560 | 0 | None | 6 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 481 | 10 | 1 | 7 | 4.2 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCO)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| 9922658 | 120568 | 0 | None | -3 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 308 | 5 | 1 | 2 | 4.2 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NCc2ccccc2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3325751 | 120568 | 0 | None | -3 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 308 | 5 | 1 | 2 | 4.2 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NCc2ccccc2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3545636 | 120568 | 0 | None | -3 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 308 | 5 | 1 | 2 | 4.2 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NCc2ccccc2)CC1 | 10.1021/ml500116x | |||
| 10713623 | 96974 | 0 | None | 1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 361 | 2 | 1 | 3 | 3.5 | O=C1NCN(c2ccccc2)C12CCN([C@H]1CCCc3ccccc31)CC2 | 10.1021/jm991129q | |||
| CHEMBL26638 | 96974 | 0 | None | 1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 361 | 2 | 1 | 3 | 3.5 | O=C1NCN(c2ccccc2)C12CCN([C@H]1CCCc3ccccc31)CC2 | 10.1021/jm991129q | |||
| 11552010 | 139015 | 0 | None | 38 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 348 | 2 | 2 | 3 | 3.4 | Oc1ccc2c(c1)CC(CN1CCC3(CCc4ccccc43)CC1)NC2 | 10.1016/j.ejmech.2016.02.014 | |||
| CHEMBL3785728 | 139015 | 0 | None | 38 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 348 | 2 | 2 | 3 | 3.4 | Oc1ccc2c(c1)CC(CN1CCC3(CCc4ccccc43)CC1)NC2 | 10.1016/j.ejmech.2016.02.014 | |||
| 52951941 | 83592 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 462 | 6 | 0 | 4 | 4.6 | CC(C)N(C)C(=O)[C@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm101487v | |||
| CHEMBL2204346 | 83592 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 462 | 6 | 0 | 4 | 4.6 | CC(C)N(C)C(=O)[C@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm101487v | |||
| 129188459 | 175166 | 3 | None | 54 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 326 | 3 | 0 | 2 | 4.7 | CC(C)[C@H]1CC[C@@H](N2CCC(N3CCc4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| CHEMBL4570328 | 175166 | 3 | None | 54 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 326 | 3 | 0 | 2 | 4.7 | CC(C)[C@H]1CC[C@@H](N2CCC(N3CCc4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| 134563466 | 171290 | 0 | None | 6 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 412 | 5 | 2 | 3 | 4.8 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CNC(N)=S)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| CHEMBL4460695 | 171290 | 0 | None | 6 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 412 | 5 | 2 | 3 | 4.8 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CNC(N)=S)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| 44391062 | 122622 | 0 | None | 5 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 441 | 7 | 1 | 5 | 5.8 | Cc1ccc(Cl)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL360326 | 122622 | 0 | None | 5 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 441 | 7 | 1 | 5 | 5.8 | Cc1ccc(Cl)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| 18782376 | 91773 | 0 | None | 6 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 395 | 2 | 1 | 3 | 4.1 | O=C1NCN(c2ccccc2)C12CCN(C1CCCc3ccc(Cl)cc31)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL241085 | 91773 | 0 | None | 6 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 395 | 2 | 1 | 3 | 4.1 | O=C1NCN(c2ccccc2)C12CCN(C1CCCc3ccc(Cl)cc31)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 44438964 | 147388 | 0 | None | 75 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 415 | 4 | 1 | 3 | 4.3 | O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1F)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL392969 | 147388 | 0 | None | 75 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 415 | 4 | 1 | 3 | 4.3 | O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1F)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 10654047 | 212628 | 18 | None | -2 | 2 | Mouse | 7.0 | pKi | = | 7 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm990075h | |||||
| CHEMBL406946 | 212628 | 18 | None | -2 | 2 | Mouse | 7.0 | pKi | = | 7 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm990075h | |||||
| CHEMBL407461 | 212661 | 0 | None | - | 1 | Mouse | 7.0 | pKi | = | 7 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm990075h | |||||
| 24799509 | 97779 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 360 | 3 | 1 | 2 | 4.3 | CC(C)(C)C1CCC(N2CCC(C(N)=O)(c3ccccc3F)CC2)CC1 | 10.1021/jm7009606 | |||
| CHEMBL271779 | 97779 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 360 | 3 | 1 | 2 | 4.3 | CC(C)(C)C1CCC(N2CCC(C(N)=O)(c3ccccc3F)CC2)CC1 | 10.1021/jm7009606 | |||
| 44574707 | 178786 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 446 | 4 | 0 | 2 | 7.2 | N#CC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL468953 | 178786 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 446 | 4 | 0 | 2 | 7.2 | N#CC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 15512242 | 102879 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 413 | 3 | 1 | 4 | 3.9 | COc1ccc(N2CNC(=O)C23CCN(C2Cc4cccc5cccc2c45)CC3)cc1 | 10.1016/s0960-894x(99)00385-6 | |||
| CHEMBL305861 | 102879 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 413 | 3 | 1 | 4 | 3.9 | COc1ccc(N2CNC(=O)C23CCN(C2Cc4cccc5cccc2c45)CC3)cc1 | 10.1016/s0960-894x(99)00385-6 | |||
| 134134392 | 143693 | 0 | None | -331 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 309 | 3 | 1 | 2 | 4.2 | Cc1ccc(C2(N(C)C)CCC(O)(c3ccccc3)CC2)cc1 | nan | |||
| CHEMBL3900292 | 143693 | 0 | None | -331 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 309 | 3 | 1 | 2 | 4.2 | Cc1ccc(C2(N(C)C)CCC(O)(c3ccccc3)CC2)cc1 | nan | |||
| 44426819 | 141999 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 292 | 3 | 1 | 3 | 3.2 | N#CC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL387493 | 141999 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 292 | 3 | 1 | 3 | 3.2 | N#CC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 70692893 | 76653 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 400 | 7 | 0 | 4 | 2.2 | CCC(CC)N1CCN(CCC(=O)N2c3ccccc3CC2C(=O)N(C)C)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| CHEMBL2064137 | 76653 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 400 | 7 | 0 | 4 | 2.2 | CCC(CC)N1CCN(CCC(=O)N2c3ccccc3CC2C(=O)N(C)C)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| 44437610 | 145517 | 0 | None | 42 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 508 | 10 | 1 | 7 | 4.0 | CNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL391487 | 145517 | 0 | None | 42 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 508 | 10 | 1 | 7 | 4.0 | CNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| 44252534 | 152313 | 0 | None | -3 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 350 | 4 | 0 | 2 | 4.4 | CC(=O)N(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| CHEMBL3969636 | 152313 | 0 | None | -3 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 350 | 4 | 0 | 2 | 4.4 | CC(=O)N(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| 44337550 | 109683 | 0 | None | 1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 370 | 9 | 1 | 2 | 6.1 | CCCCCCC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL322717 | 109683 | 0 | None | 1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 370 | 9 | 1 | 2 | 6.1 | CCCCCCC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| 44252391 | 152922 | 0 | None | 23 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 336 | 5 | 0 | 2 | 4.5 | CN(C)CC1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| CHEMBL3974883 | 152922 | 0 | None | 23 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 336 | 5 | 0 | 2 | 4.5 | CN(C)CC1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| CHEMBL143939 | 208770 | 19 | None | -3388 | 2 | Guinea pig | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | None | None | None | CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]1C(=O)O | 10.1016/j.bmcl.2006.05.060 | |||||
| 24799325 | 97700 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 432 | 5 | 1 | 2 | 5.9 | CC(C)(C)C1CCC(N2CCC(C(=O)NCc3ccccc3)(c3ccccc3)CC2)CC1 | 10.1021/jm7009606 | |||
| CHEMBL271342 | 97700 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 432 | 5 | 1 | 2 | 5.9 | CC(C)(C)C1CCC(N2CCC(C(=O)NCc3ccccc3)(c3ccccc3)CC2)CC1 | 10.1021/jm7009606 | |||
| 118718273 | 115309 | 0 | None | 38 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 497 | 6 | 0 | 3 | 6.7 | CN(C)C[C@]1(c2cccc(F)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349257 | 115309 | 0 | None | 38 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 497 | 6 | 0 | 3 | 6.7 | CN(C)C[C@]1(c2cccc(F)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 44224242 | 147983 | 0 | None | 6 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 398 | 6 | 0 | 2 | 6.0 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2ccccc2)CC1 | nan | |||
| CHEMBL3934183 | 147983 | 0 | None | 6 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 398 | 6 | 0 | 2 | 6.0 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2ccccc2)CC1 | nan | |||
| 10286996 | 163349 | 0 | None | 38 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 364 | 5 | 1 | 2 | 4.8 | N[C@@H](c1cc(F)cc(F)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL419179 | 163349 | 0 | None | 38 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 364 | 5 | 1 | 2 | 4.8 | N[C@@H](c1cc(F)cc(F)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(02)00652-2 | |||
| 90656666 | 110949 | 0 | None | -186 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 481 | 5 | 2 | 5 | 4.8 | CC[C@](O)([C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5)C(C)(C)C | 10.1021/jm401964y | |||
| CHEMBL3262088 | 110949 | 0 | None | -186 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 481 | 5 | 2 | 5 | 4.8 | CC[C@](O)([C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5)C(C)(C)C | 10.1021/jm401964y | |||
| 46880240 | 6051 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 429 | 5 | 1 | 6 | 2.9 | CNC(=O)Cn1c(=O)n(C2CCN(Cc3nccc4ccccc34)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1080521 | 6051 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 429 | 5 | 1 | 6 | 2.9 | CNC(=O)Cn1c(=O)n(C2CCN(Cc3nccc4ccccc34)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 9836463 | 96831 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 313 | 3 | 1 | 2 | 3.0 | O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2003.11.083 | |||
| CHEMBL26521 | 96831 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 313 | 3 | 1 | 2 | 3.0 | O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2003.11.083 | |||
| 68631642 | 148616 | 0 | None | -2 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 415 | 4 | 1 | 2 | 6.2 | Cc1c(C2(N3CCCCC3)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccccc12 | nan | |||
| CHEMBL3939293 | 148616 | 0 | None | -2 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 415 | 4 | 1 | 2 | 6.2 | Cc1c(C2(N3CCCCC3)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccccc12 | nan | |||
| 46879478 | 5485 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 413 | 4 | 1 | 4 | 3.9 | CNC(=O)CN1C(=O)OC2(CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1076208 | 5485 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 413 | 4 | 1 | 4 | 3.9 | CNC(=O)CN1C(=O)OC2(CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 44337230 | 6873 | 0 | None | 3 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 300 | 4 | 1 | 2 | 4.2 | CC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL108417 | 6873 | 0 | None | 3 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 300 | 4 | 1 | 2 | 4.2 | CC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| 54581495 | 62647 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 434 | 7 | 0 | 5 | 4.1 | O=C(OCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1 | 10.1016/j.bmc.2009.05.068 | |||
| CHEMBL1783822 | 62647 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 434 | 7 | 0 | 5 | 4.1 | O=C(OCCCN1CCC2(CC1)OCc1ccccc12)[C@H]1CCCN1Cc1ccccc1 | 10.1016/j.bmc.2009.05.068 | |||
| 44253136 | 147319 | 0 | None | 6 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 399 | 6 | 0 | 3 | 5.4 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2cccnc2)CC1 | nan | |||
| CHEMBL3929120 | 147319 | 0 | None | 6 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 399 | 6 | 0 | 3 | 5.4 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2cccnc2)CC1 | nan | |||
| 134144744 | 150618 | 0 | None | 2 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 436 | 6 | 1 | 3 | 6.2 | CCCC(=O)OC1(c2[nH]c3ccccc3c2C)CCC(c2cccc(F)c2)(N(C)C)CC1 | nan | |||
| CHEMBL3955335 | 150618 | 0 | None | 2 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 436 | 6 | 1 | 3 | 6.2 | CCCC(=O)OC1(c2[nH]c3ccccc3c2C)CCC(c2cccc(F)c2)(N(C)C)CC1 | nan | |||
| 44391156 | 64868 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 457 | 7 | 2 | 6 | 4.8 | Cc1ccc(Cl)c(OC(C(C)C)C(O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL182144 | 64868 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 457 | 7 | 2 | 6 | 4.8 | Cc1ccc(Cl)c(OC(C(C)C)C(O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| 44593575 | 178478 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 361 | 3 | 1 | 2 | 5.1 | OC1CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL466438 | 178478 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 361 | 3 | 1 | 2 | 5.1 | OC1CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 105104 | 3901 | 40 | None | -794 | 11 | Guinea pig | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 356 | 4 | 0 | 3 | 3.3 | O=C(N([C@H]1CC[C@]2(C[C@@H]1N1CCCC1)CCCO2)C)Cc1ccccc1 | 10.1016/j.bmcl.2006.05.060 | |||
| 1655 | 3901 | 40 | None | -794 | 11 | Guinea pig | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 356 | 4 | 0 | 3 | 3.3 | O=C(N([C@H]1CC[C@]2(C[C@@H]1N1CCCC1)CCCO2)C)Cc1ccccc1 | 10.1016/j.bmcl.2006.05.060 | |||
| 1656 | 3901 | 40 | None | -794 | 11 | Guinea pig | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 356 | 4 | 0 | 3 | 3.3 | O=C(N([C@H]1CC[C@]2(C[C@@H]1N1CCCC1)CCCO2)C)Cc1ccccc1 | 10.1016/j.bmcl.2006.05.060 | |||
| CHEMBL440765 | 3901 | 40 | None | -794 | 11 | Guinea pig | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 356 | 4 | 0 | 3 | 3.3 | O=C(N([C@H]1CC[C@]2(C[C@@H]1N1CCCC1)CCCO2)C)Cc1ccccc1 | 10.1016/j.bmcl.2006.05.060 | |||
| 68632581 | 148349 | 0 | None | -2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 365 | 8 | 1 | 2 | 5.4 | CN(C)C1(c2ccccc2)CCC(CO)(CCCCc2ccccc2)CC1 | nan | |||
| CHEMBL3937167 | 148349 | 0 | None | -2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 365 | 8 | 1 | 2 | 5.4 | CN(C)C1(c2ccccc2)CCC(CO)(CCCCc2ccccc2)CC1 | nan | |||
| 10134077 | 101716 | 0 | None | 40 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 375 | 4 | 0 | 2 | 4.9 | CCN1C(=O)N(C2CCN(CC3CCCCCCC3)CC2)[C@@H]2CCCC[C@H]21 | 10.1016/j.bmcl.2003.11.083 | |||
| CHEMBL29953 | 101716 | 0 | None | 40 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 375 | 4 | 0 | 2 | 4.9 | CCN1C(=O)N(C2CCN(CC3CCCCCCC3)CC2)[C@@H]2CCCC[C@H]21 | 10.1016/j.bmcl.2003.11.083 | |||
| 10159203 | 65608 | 0 | None | 5 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 421 | 7 | 1 | 5 | 5.5 | Cc1ccc(C)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL183355 | 65608 | 0 | None | 5 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 421 | 7 | 1 | 5 | 5.5 | Cc1ccc(C)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| 44391062 | 122622 | 0 | None | 5 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 441 | 7 | 1 | 5 | 5.8 | Cc1ccc(Cl)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL360326 | 122622 | 0 | None | 5 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 441 | 7 | 1 | 5 | 5.8 | Cc1ccc(Cl)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| 44426836 | 142114 | 0 | None | 15 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 421 | 4 | 1 | 2 | 5.5 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2Br)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL388314 | 142114 | 0 | None | 15 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 421 | 4 | 1 | 2 | 5.5 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2Br)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 20481138 | 86851 | 0 | None | 6 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL232273 | 86851 | 0 | None | 6 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 118718288 | 115324 | 0 | None | 11 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 481 | 6 | 1 | 4 | 6.0 | COc1cccc([C@@]2(CN)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1 | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349272 | 115324 | 0 | None | 11 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 481 | 6 | 1 | 4 | 6.0 | COc1cccc([C@@]2(CN)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1 | 10.1016/j.bmcl.2008.10.088 | |||
| 118718301 | 115338 | 0 | None | 123 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 464 | 6 | 1 | 2 | 6.9 | NC[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349286 | 115338 | 0 | None | 123 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 464 | 6 | 1 | 2 | 6.9 | NC[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 24894531 | 179128 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 336 | 3 | 1 | 3 | 3.9 | Cc1ccccc1C1CCN(C[C@@H]2Cc3cccnc3[C@@H](O)C2)CC1 | 10.1021/jm701590h | |||
| CHEMBL471982 | 179128 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 336 | 3 | 1 | 3 | 3.9 | Cc1ccccc1C1CCN(C[C@@H]2Cc3cccnc3[C@@H](O)C2)CC1 | 10.1021/jm701590h | |||
| 11326750 | 186307 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 390 | 3 | 2 | 4 | 3.3 | O[C@H]1C[C@H](CN2CC[C@H](c3ccc(F)cc3Cl)[C@@H](O)C2)Cc2cccnc21 | 10.1021/jm701590h | |||
| CHEMBL487458 | 186307 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 390 | 3 | 2 | 4 | 3.3 | O[C@H]1C[C@H](CN2CC[C@H](c3ccc(F)cc3Cl)[C@@H](O)C2)Cc2cccnc21 | 10.1021/jm701590h | |||
| 44574963 | 178512 | 0 | None | 5 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 522 | 7 | 2 | 3 | 6.1 | CC(O)CNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL466694 | 178512 | 0 | None | 5 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 522 | 7 | 2 | 3 | 6.1 | CC(O)CNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 44574789 | 178546 | 0 | None | 91 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 504 | 6 | 1 | 2 | 7.1 | O=C(NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C1CC1 | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL466919 | 178546 | 0 | None | 91 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 504 | 6 | 1 | 2 | 7.1 | O=C(NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)C1CC1 | 10.1016/j.bmcl.2009.03.031 | |||
| 70419 | 75008 | 48 | None | 17 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 321 | 3 | 1 | 3 | 2.6 | O=C1NCN(c2ccccc2)C12CCN(Cc1ccccc1)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL203356 | 75008 | 48 | None | 17 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 321 | 3 | 1 | 3 | 2.6 | O=C1NCN(c2ccccc2)C12CCN(Cc1ccccc1)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 155569552 | 176212 | 0 | None | 61 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 509 | 10 | 5 | 5 | 3.7 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CNC(=O)[C@@H](N)CCCNC(=N)N)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| CHEMBL4594096 | 176212 | 0 | None | 61 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 509 | 10 | 5 | 5 | 3.7 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CNC(=O)[C@@H](N)CCCNC(=N)N)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| 46879537 | 6182 | 0 | None | -2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 424 | 5 | 1 | 4 | 3.3 | CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC(C(C)C)CC3)CC2)C1=O | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1081191 | 6182 | 0 | None | -2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 424 | 5 | 1 | 4 | 3.3 | CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC(C(C)C)CC3)CC2)C1=O | 10.1016/j.bmcl.2009.09.028 | |||
| 24798598 | 112583 | 11 | None | -5 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 364 | 2 | 2 | 2 | 4.8 | CN[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3cc(F)ccc3[nH]c12 | 10.1021/ml500117c | |||
| CHEMBL3301613 | 112583 | 11 | None | -5 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 364 | 2 | 2 | 2 | 4.8 | CN[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3cc(F)ccc3[nH]c12 | 10.1021/ml500117c | |||
| CHEMBL3325959 | 112583 | 11 | None | -5 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 364 | 2 | 2 | 2 | 4.8 | CN[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3cc(F)ccc3[nH]c12 | 10.1021/ml500117c | |||
| 155544763 | 173354 | 0 | None | 7 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 386 | 2 | 0 | 2 | 5.0 | O=C1Cc2ccccc2N1C1CCN([C@@H]2CC[C@H]3CCCc4cccc2c43)CC1 | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL4527189 | 173354 | 0 | None | 7 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 386 | 2 | 0 | 2 | 5.0 | O=C1Cc2ccccc2N1C1CCN([C@@H]2CC[C@H]3CCCc4cccc2c43)CC1 | 10.1021/acs.jmedchem.5b01499 | |||
| 90655975 | 111006 | 0 | None | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 373 | 4 | 1 | 2 | 4.7 | CCC1C(=O)N(C2CCN(Cc3cccc4[nH]ccc34)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | |||
| CHEMBL3262548 | 111006 | 0 | None | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 373 | 4 | 1 | 2 | 4.7 | CCC1C(=O)N(C2CCN(Cc3cccc4[nH]ccc34)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | |||
| 21345766 | 80112 | 0 | None | 1 | 3 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 449 | 3 | 1 | 7 | 2.3 | CN1CC[C@]23c4c5ccc(OC(=O)C(C)(C)C)c4O[C@H]2[C@@H](OS(=O)(=O)O)C=C[C@H]3[C@H]1C5 | 10.1016/j.bmcl.2006.05.060 | |||
| 44414864 | 80112 | 0 | None | 1 | 3 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 449 | 3 | 1 | 7 | 2.3 | CN1CC[C@]23c4c5ccc(OC(=O)C(C)(C)C)c4O[C@H]2[C@@H](OS(=O)(=O)O)C=C[C@H]3[C@H]1C5 | 10.1016/j.bmcl.2006.05.060 | |||
| CHEMBL213228 | 80112 | 0 | None | 1 | 3 | Guinea pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 449 | 3 | 1 | 7 | 2.3 | CN1CC[C@]23c4c5ccc(OC(=O)C(C)(C)C)c4O[C@H]2[C@@H](OS(=O)(=O)O)C=C[C@H]3[C@H]1C5 | 10.1016/j.bmcl.2006.05.060 | |||
| 73350483 | 90461 | 0 | None | 6 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 386 | 2 | 0 | 2 | 5.0 | O=C1Cc2ccccc2N1C1CCN(C2CC[C@H]3CCCc4cccc2c43)CC1 | 10.1016/j.bmcl.2013.03.101 | |||
| CHEMBL2387193 | 90461 | 0 | None | 6 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 386 | 2 | 0 | 2 | 5.0 | O=C1Cc2ccccc2N1C1CCN(C2CC[C@H]3CCCc4cccc2c43)CC1 | 10.1016/j.bmcl.2013.03.101 | |||
| 44438966 | 91769 | 0 | None | 50 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 411 | 4 | 1 | 3 | 4.5 | Cc1ccccc1C(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL241079 | 91769 | 0 | None | 50 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 411 | 4 | 1 | 3 | 4.5 | Cc1ccccc1C(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2007.01.069 | |||
| 25134075 | 128175 | 0 | None | 218 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 2 | 1 | 4 | 3.6 | O=c1[nH]c2ccc(F)cc2n(C2CCN(C3CCCCCCC3)CC2)c1=O | nan | |||
| CHEMBL3665421 | 128175 | 0 | None | 218 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 373 | 2 | 1 | 4 | 3.6 | O=c1[nH]c2ccc(F)cc2n(C2CCN(C3CCCCCCC3)CC2)c1=O | nan | |||
| 70684433 | 76658 | 0 | None | 27 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 420 | 5 | 0 | 4 | 2.6 | Cc1ccccc1N1CCN(CCC(=O)N2c3ccccc3CC2C(=O)N(C)C)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| CHEMBL2064145 | 76658 | 0 | None | 27 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 420 | 5 | 0 | 4 | 2.6 | Cc1ccccc1N1CCN(CCC(=O)N2c3ccccc3CC2C(=O)N(C)C)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| 11371415 | 4357 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 346 | 2 | 0 | 2 | 4.1 | O=C1Cc2ccccc2N1C1CCN(C2CCCc3ccccc32)CC1 | 10.1021/jm034249d | |||
| CHEMBL101118 | 4357 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 346 | 2 | 0 | 2 | 4.1 | O=C1Cc2ccccc2N1C1CCN(C2CCCc3ccccc32)CC1 | 10.1021/jm034249d | |||
| 44451648 | 96155 | 0 | None | 4 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 532 | 10 | 0 | 9 | 4.4 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ncnn4C)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL260555 | 96155 | 0 | None | 4 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 532 | 10 | 0 | 9 | 4.4 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ncnn4C)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 9889948 | 31673 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 413 | 6 | 2 | 5 | 5.0 | COc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1021/jm0002073 | |||
| CHEMBL140519 | 31673 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 413 | 6 | 2 | 5 | 5.0 | COc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1021/jm0002073 | |||
| 44430045 | 87747 | 0 | None | 4 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 400 | 5 | 2 | 3 | 4.8 | Cc1ccc(C(c2ccc(C)cc2)N2CCC(O)(c3ccccc3CN)CC2)cc1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL233748 | 87747 | 0 | None | 4 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 400 | 5 | 2 | 3 | 4.8 | Cc1ccc(C(c2ccc(C)cc2)N2CCC(O)(c3ccccc3CN)CC2)cc1 | 10.1016/j.bmcl.2007.03.062 | |||
| 10338496 | 120551 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 286 | 3 | 0 | 2 | 3.9 | CN(C)[C@]1(c2ccccc2)CC[C@H](N2CCCCC2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3325883 | 120551 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 286 | 3 | 0 | 2 | 3.9 | CN(C)[C@]1(c2ccccc2)CC[C@H](N2CCCCC2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3545612 | 120551 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 286 | 3 | 0 | 2 | 3.9 | CN(C)[C@]1(c2ccccc2)CC[C@H](N2CCCCC2)CC1 | 10.1021/ml500116x | |||
| 44339530 | 108527 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 326 | 3 | 0 | 2 | 4.9 | N#CC1(c2ccccc2)CCN(Cc2ccc3ccccc3c2)CC1 | 10.1016/s0960-894x(03)00665-6 | |||
| CHEMBL320058 | 108527 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 326 | 3 | 0 | 2 | 4.9 | N#CC1(c2ccccc2)CCN(Cc2ccc3ccccc3c2)CC1 | 10.1016/s0960-894x(03)00665-6 | |||
| 10292091 | 96764 | 0 | None | 8 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 361 | 3 | 0 | 2 | 4.6 | CCN1C(=O)N(C2CCN(C3CCCCCCC3)CC2)[C@@H]2CCCC[C@H]21 | 10.1016/j.bmcl.2003.11.083 | |||
| CHEMBL26464 | 96764 | 0 | None | 8 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 361 | 3 | 0 | 2 | 4.6 | CCN1C(=O)N(C2CCN(C3CCCCCCC3)CC2)[C@@H]2CCCC[C@H]21 | 10.1016/j.bmcl.2003.11.083 | |||
| 46879629 | 5871 | 0 | None | 28 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 420 | 4 | 1 | 4 | 2.5 | CNC(=O)CN1c2ccccc2N(C2CCN(C3CCCCCC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1079417 | 5871 | 0 | None | 28 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 420 | 4 | 1 | 4 | 2.5 | CNC(=O)CN1c2ccccc2N(C2CCN(C3CCCCCC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | |||
| 44391012 | 168309 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 467 | 6 | 1 | 5 | 6.5 | Cc1ccc(Cl)c(OC2(CCN3CCC(n4c(O)nc5ccccc54)CC3)CCCCC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL434150 | 168309 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 467 | 6 | 1 | 5 | 6.5 | Cc1ccc(Cl)c(OC2(CCN3CCC(n4c(O)nc5ccccc54)CC3)CCCCC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| 46880153 | 5510 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 358 | 6 | 1 | 5 | 2.2 | CNC(=O)Cn1c(=O)n(C2CCN(CCC(C)C)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1076499 | 5510 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 358 | 6 | 1 | 5 | 2.2 | CNC(=O)Cn1c(=O)n(C2CCN(CCC(C)C)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 44391119 | 132037 | 0 | None | -5 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 435 | 8 | 1 | 5 | 6.0 | CC(C)c1ccccc1OC(CCN1CCC(n2c(O)nc3ccccc32)CC1)C(C)C | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL369540 | 132037 | 0 | None | -5 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 435 | 8 | 1 | 5 | 6.0 | CC(C)c1ccccc1OC(CCN1CCC(n2c(O)nc3ccccc32)CC1)C(C)C | 10.1016/j.bmcl.2004.11.049 | |||
| 44337231 | 9161 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 390 | 5 | 1 | 2 | 5.8 | Cc1ccc(C(c2ccc(C)cc2)N2CC[C@H]2[C@H](N)c2cccc(Cl)c2)cc1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL110138 | 9161 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 390 | 5 | 1 | 2 | 5.8 | Cc1ccc(C(c2ccc(C)cc2)N2CC[C@H]2[C@H](N)c2cccc(Cl)c2)cc1 | 10.1016/s0960-894x(02)00652-2 | |||
| 44413409 | 78289 | 0 | None | -5 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 324 | 3 | 1 | 1 | 5.2 | Clc1ccc2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2c1 | 10.1016/j.bmcl.2006.03.094 | |||
| CHEMBL210770 | 78289 | 0 | None | -5 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 324 | 3 | 1 | 1 | 5.2 | Clc1ccc2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2c1 | 10.1016/j.bmcl.2006.03.094 | |||
| 44430026 | 88225 | 0 | None | 7 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 351 | 8 | 1 | 2 | 5.6 | CCCCCCC1(O)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL234773 | 88225 | 0 | None | 7 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 351 | 8 | 1 | 2 | 5.6 | CCCCCCC1(O)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 54584440 | 62645 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 447 | 7 | 0 | 4 | 4.0 | CN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)[C@H]1CCCN1Cc1ccccc1 | 10.1016/j.bmc.2009.05.068 | |||
| CHEMBL1783820 | 62645 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 447 | 7 | 0 | 4 | 4.0 | CN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)[C@H]1CCCN1Cc1ccccc1 | 10.1016/j.bmc.2009.05.068 | |||
| 44252987 | 144522 | 0 | None | 1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 390 | 4 | 0 | 2 | 5.5 | CN(C)C1(c2ccccc2)CCC(c2ccc(C(F)(F)F)cc2)(N(C)C)CC1 | nan | |||
| CHEMBL3907138 | 144522 | 0 | None | 1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 390 | 4 | 0 | 2 | 5.5 | CN(C)C1(c2ccccc2)CCC(c2ccc(C(F)(F)F)cc2)(N(C)C)CC1 | nan | |||
| 11743914 | 109663 | 0 | None | -114 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 439 | 6 | 1 | 2 | 6.2 | OC1(c2cccc(C(F)(F)F)c2)CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.08.032 | |||
| CHEMBL322515 | 109663 | 0 | None | -114 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 439 | 6 | 1 | 2 | 6.2 | OC1(c2cccc(C(F)(F)F)c2)CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.08.032 | |||
| 118718264 | 115299 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 518 | 7 | 0 | 2 | 8.0 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@](Cc1ccccc1)(CN1CCCC1)C2 | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349247 | 115299 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 518 | 7 | 0 | 2 | 8.0 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@](Cc1ccccc1)(CN1CCCC1)C2 | 10.1016/j.bmcl.2008.10.088 | |||
| 44402713 | 135178 | 0 | None | 1 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 325 | 3 | 0 | 4 | 4.0 | COc1ccc2c(c1)[C@H]1O[C@@H](CN(C)C)C[C@H]1c1ccccc1O2 | 10.1016/j.bmcl.2005.03.076 | |||
| CHEMBL371984 | 135178 | 0 | None | 1 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 325 | 3 | 0 | 4 | 4.0 | COc1ccc2c(c1)[C@H]1O[C@@H](CN(C)C)C[C@H]1c1ccccc1O2 | 10.1016/j.bmcl.2005.03.076 | |||
| 44253564 | 145441 | 0 | None | 3 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 466 | 6 | 0 | 2 | 7.1 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2cccc(C(F)(F)F)c2)CC1 | nan | |||
| CHEMBL3914240 | 145441 | 0 | None | 3 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 466 | 6 | 0 | 2 | 7.1 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2cccc(C(F)(F)F)c2)CC1 | nan | |||
| 44252247 | 149437 | 0 | None | -8 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 288 | 4 | 1 | 2 | 3.2 | CC(=O)NCC1(C)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| CHEMBL3945941 | 149437 | 0 | None | -8 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 288 | 4 | 1 | 2 | 3.2 | CC(=O)NCC1(C)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| 44451573 | 169424 | 0 | None | -2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 575 | 10 | 0 | 9 | 6.0 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4noc(C(C)(C)C)n4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL442469 | 169424 | 0 | None | -2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 575 | 10 | 0 | 9 | 6.0 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4noc(C(C)(C)C)n4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 118718297 | 115334 | 0 | None | 20 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 522 | 7 | 1 | 3 | 6.8 | COc1ccc([C@@]2(CNC(C)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)cc1 | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349282 | 115334 | 0 | None | 20 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 522 | 7 | 1 | 3 | 6.8 | COc1ccc([C@@]2(CNC(C)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)cc1 | 10.1016/j.bmcl.2008.10.088 | |||
| 24735827 | 91716 | 0 | None | 2 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 322 | 3 | 1 | 4 | 2.0 | O=C1NCN(c2ccccc2)C12CCN(Cc1ccccn1)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL240895 | 91716 | 0 | None | 2 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 322 | 3 | 1 | 4 | 2.0 | O=C1NCN(c2ccccc2)C12CCN(Cc1ccccn1)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 44339525 | 8627 | 0 | None | -11 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 437 | 3 | 1 | 2 | 5.9 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(Cc2ccc(C(F)(F)F)cc2)CC1 | 10.1016/s0960-894x(03)00665-6 | |||
| CHEMBL109509 | 8627 | 0 | None | -11 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 437 | 3 | 1 | 2 | 5.9 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(Cc2ccc(C(F)(F)F)cc2)CC1 | 10.1016/s0960-894x(03)00665-6 | |||
| 44339525 | 8627 | 0 | None | -11 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 437 | 3 | 1 | 2 | 5.9 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(Cc2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2004.08.032 | |||
| CHEMBL109509 | 8627 | 0 | None | -11 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 437 | 3 | 1 | 2 | 5.9 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(Cc2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2004.08.032 | |||
| 44390989 | 165889 | 0 | None | 4 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 483 | 6 | 2 | 6 | 5.5 | Cc1ccc(Cl)c(OC2(C(O)CN3CCC(n4c(O)nc5ccccc54)CC3)CCCCC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL424971 | 165889 | 0 | None | 4 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 483 | 6 | 2 | 6 | 5.5 | Cc1ccc(Cl)c(OC2(C(O)CN3CCC(n4c(O)nc5ccccc54)CC3)CCCCC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| 24776402 | 97579 | 0 | None | 10 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 448 | 4 | 0 | 2 | 5.9 | CC(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2cccc(F)c23)CC1 | 10.1021/jm7009606 | |||
| CHEMBL270756 | 97579 | 0 | None | 10 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 448 | 4 | 0 | 2 | 5.9 | CC(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2cccc(F)c23)CC1 | 10.1021/jm7009606 | |||
| 44426829 | 85696 | 0 | None | 10 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 411 | 4 | 1 | 2 | 5.8 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2C(F)(F)F)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL228794 | 85696 | 0 | None | 10 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 411 | 4 | 1 | 2 | 5.8 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2C(F)(F)F)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 44430080 | 86765 | 0 | None | 25 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 511 | 7 | 3 | 3 | 5.9 | CCNC(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL232074 | 86765 | 0 | None | 25 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 511 | 7 | 3 | 3 | 5.9 | CCNC(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 118718302 | 115339 | 0 | None | 38 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 506 | 7 | 1 | 2 | 7.1 | CC(=O)NC[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349287 | 115339 | 0 | None | 38 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 506 | 7 | 1 | 2 | 7.1 | CC(=O)NC[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 11256620 | 179133 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 350 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C1CCN(C[C@H]2CCc3cccnc3[C@@H](O)C2)CC1 | 10.1021/jm701590h | |||
| CHEMBL471994 | 179133 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 350 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C1CCN(C[C@H]2CCc3cccnc3[C@@H](O)C2)CC1 | 10.1021/jm701590h | |||
| 76335145 | 103339 | 0 | None | 79 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 529 | 5 | 1 | 4 | 7.0 | COC(=O)N[C@@]1(c2ccc(Cl)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084552 | 103339 | 0 | None | 79 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 529 | 5 | 1 | 4 | 7.0 | COC(=O)N[C@@]1(c2ccc(Cl)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 44574958 | 189180 | 0 | None | 74 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 513 | 5 | 1 | 4 | 6.5 | COC(=O)NC1(c2ccc(F)cn2)C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL511232 | 189180 | 0 | None | 74 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 513 | 5 | 1 | 4 | 6.5 | COC(=O)NC1(c2ccc(F)cn2)C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 22558157 | 111005 | 0 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 374 | 3 | 0 | 2 | 4.5 | CCC1C(=O)N(C2CCN(C3CCc4ccccc4C3)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | |||
| CHEMBL3262547 | 111005 | 0 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 374 | 3 | 0 | 2 | 4.5 | CCC1C(=O)N(C2CCN(C3CCc4ccccc4C3)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | |||
| 44437646 | 90342 | 0 | None | 16 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 534 | 12 | 1 | 7 | 4.6 | C=CCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL238602 | 90342 | 0 | None | 16 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 534 | 12 | 1 | 7 | 4.6 | C=CCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| 44437648 | 147631 | 0 | None | 8 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 548 | 12 | 1 | 7 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NCC4CC4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL393138 | 147631 | 0 | None | 8 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 548 | 12 | 1 | 7 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NCC4CC4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| 44437628 | 170663 | 0 | None | 10 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 522 | 11 | 1 | 7 | 4.4 | CNC(=O)CCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL445154 | 170663 | 0 | None | 10 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 522 | 11 | 1 | 7 | 4.4 | CNC(=O)CCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| 44402486 | 124333 | 0 | None | -2 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.6 | CN(C)C[C@@H]1C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1 | 10.1016/j.bmcl.2005.03.076 | |||
| CHEMBL363619 | 124333 | 0 | None | -2 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.6 | CN(C)C[C@@H]1C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1 | 10.1016/j.bmcl.2005.03.076 | |||
| 15411840 | 120469 | 0 | None | - | 1 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 369 | 2 | 1 | 3 | 4.0 | CC(C)(C)[C@H]1CC[C@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 | 10.1016/s0960-894x(00)00111-6 | |||
| CHEMBL354163 | 120469 | 0 | None | - | 1 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 369 | 2 | 1 | 3 | 4.0 | CC(C)(C)[C@H]1CC[C@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 | 10.1016/s0960-894x(00)00111-6 | |||
| 25190592 | 188211 | 0 | None | 56 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 592 | 9 | 0 | 4 | 7.3 | CC(C)N(CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O)C(C)C | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL499169 | 188211 | 0 | None | 56 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 592 | 9 | 0 | 4 | 7.3 | CC(C)N(CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O)C(C)C | 10.1016/j.bmcl.2008.12.092 | |||
| 25190630 | 179143 | 0 | None | 12 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 556 | 8 | 1 | 4 | 6.6 | CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4cc(Cl)c(Cl)cc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL472086 | 179143 | 0 | None | 12 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 556 | 8 | 1 | 4 | 6.6 | CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4cc(Cl)c(Cl)cc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 71624387 | 90463 | 0 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 340 | 2 | 0 | 2 | 4.7 | CC1C(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2013.03.101 | |||
| CHEMBL2387195 | 90463 | 0 | None | -1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 340 | 2 | 0 | 2 | 4.7 | CC1C(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2013.03.101 | |||
| 9803475 | 77593 | 32 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 3.7 | COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O | 10.1021/jm201629q | |||
| CHEMBL2088036 | 77593 | 32 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 3.7 | COC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cccc4ccccc34)CC2)C1=O | 10.1021/jm201629q | |||
| 12986256 | 113937 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 218 | 2 | 1 | 2 | 2.3 | CN(C)[C@]1(c2ccccc2)CC[C@@H](N)CC1 | 10.1021/ml500116x | |||
| CHEMBL3325882 | 113937 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 218 | 2 | 1 | 2 | 2.3 | CN(C)[C@]1(c2ccccc2)CC[C@@H](N)CC1 | 10.1021/ml500116x | |||
| 10715726 | 32360 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 395 | 6 | 2 | 3 | 5.6 | Cc1cc(N)c2cc(NC(=O)c3ccccc3CCCc3ccccc3)ccc2n1 | 10.1021/jm0002073 | |||
| CHEMBL141078 | 32360 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 395 | 6 | 2 | 3 | 5.6 | Cc1cc(N)c2cc(NC(=O)c3ccccc3CCCc3ccccc3)ccc2n1 | 10.1021/jm0002073 | |||
| 76335141 | 103326 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 533 | 5 | 1 | 3 | 6.5 | NC(=O)[C@@]1(c2ccc(C(F)(F)F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084537 | 103326 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 533 | 5 | 1 | 3 | 6.5 | NC(=O)[C@@]1(c2ccc(C(F)(F)F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 10156336 | 99347 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 5 | 0 | 2 | 4.9 | CCCC1CCC(N2CCC(N3C(=O)N(CC)[C@@H]4CCCC[C@H]43)CC2)CC1 | 10.1016/j.bmcl.2003.11.083 | |||
| CHEMBL282376 | 99347 | 0 | None | 1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 5 | 0 | 2 | 4.9 | CCCC1CCC(N2CCC(N3C(=O)N(CC)[C@@H]4CCCC[C@H]43)CC2)CC1 | 10.1016/j.bmcl.2003.11.083 | |||
| 9923726 | 99635 | 0 | None | 11 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 333 | 2 | 1 | 2 | 3.9 | O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(C2CCCCCCC2)CC1 | 10.1016/j.bmcl.2003.11.083 | |||
| CHEMBL284217 | 99635 | 0 | None | 11 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 333 | 2 | 1 | 2 | 3.9 | O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(C2CCCCCCC2)CC1 | 10.1016/j.bmcl.2003.11.083 | |||
| 44391104 | 65012 | 0 | None | 1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 5.5 | Cc1ccc(Cl)c(OC(c2ccccc2)C(O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL182328 | 65012 | 0 | None | 1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 5.5 | Cc1ccc(Cl)c(OC(c2ccccc2)C(O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| 44426837 | 85707 | 0 | None | 19 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 421 | 4 | 1 | 2 | 5.5 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL228856 | 85707 | 0 | None | 19 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 421 | 4 | 1 | 2 | 5.5 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 44402487 | 69806 | 0 | None | -1 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 373 | 2 | 0 | 3 | 4.7 | CN(C)C[C@H]1C[C@H]2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1 | 10.1016/j.bmcl.2005.03.076 | |||
| CHEMBL193614 | 69806 | 0 | None | -1 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 373 | 2 | 0 | 3 | 4.7 | CN(C)C[C@H]1C[C@H]2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1 | 10.1016/j.bmcl.2005.03.076 | |||
| CHEMBL411621 | 212950 | 0 | None | -301 | 2 | Mouse | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm990075h | |||||
| 44252684 | 143406 | 0 | None | 5 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 364 | 7 | 0 | 2 | 5.6 | CCCCN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| CHEMBL3898034 | 143406 | 0 | None | 5 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 364 | 7 | 0 | 2 | 5.6 | CCCCN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| 10133332 | 101192 | 0 | None | -1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 363 | 3 | 1 | 2 | 4.1 | O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2003.11.083 | |||
| CHEMBL29571 | 101192 | 0 | None | -1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 363 | 3 | 1 | 2 | 4.1 | O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2003.11.083 | |||
| 44391138 | 65461 | 0 | None | -2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 445 | 7 | 1 | 5 | 5.7 | CC(C)C(CCN1CCC(n2c(O)nc3ccccc32)CC1)Oc1cc(F)ccc1Cl | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL182995 | 65461 | 0 | None | -2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 445 | 7 | 1 | 5 | 5.7 | CC(C)C(CCN1CCC(n2c(O)nc3ccccc32)CC1)Oc1cc(F)ccc1Cl | 10.1016/j.bmcl.2004.11.049 | |||
| 44339505 | 9412 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 344 | 3 | 0 | 2 | 5.1 | N#CC1(c2ccccc2)CCN(Cc2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(03)00665-6 | |||
| CHEMBL111628 | 9412 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 344 | 3 | 0 | 2 | 5.1 | N#CC1(c2ccccc2)CCN(Cc2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(03)00665-6 | |||
| 122179051 | 121304 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 499 | 5 | 2 | 5 | 4.8 | CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| CHEMBL3580675 | 121304 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 499 | 5 | 2 | 5 | 4.8 | CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| 44431782 | 87822 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 350 | 4 | 1 | 4 | 4.2 | OC1(c2nccs2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL233820 | 87822 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 350 | 4 | 1 | 4 | 4.2 | OC1(c2nccs2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 70690756 | 76650 | 0 | None | -4 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 450 | 7 | 0 | 5 | 2.6 | CCOc1ccccc1N1CCN(CCC(=O)N2c3ccccc3CC2C(=O)N(C)C)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| CHEMBL2064132 | 76650 | 0 | None | -4 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 450 | 7 | 0 | 5 | 2.6 | CCOc1ccccc1N1CCN(CCC(=O)N2c3ccccc3CC2C(=O)N(C)C)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| 44430012 | 88055 | 0 | None | 2 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 371 | 5 | 1 | 2 | 5.3 | CCc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL234543 | 88055 | 0 | None | 2 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 371 | 5 | 1 | 2 | 5.3 | CCc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2007.03.062 | |||
| 134563695 | 172161 | 0 | None | 3 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 367 | 4 | 1 | 3 | 4.6 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(C(N)=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| CHEMBL4473383 | 172161 | 0 | None | 3 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 367 | 4 | 1 | 3 | 4.6 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(C(N)=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| 10269001 | 85685 | 0 | None | 17 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 4 | 1 | 2 | 4.8 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL228690 | 85685 | 0 | None | 17 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 4 | 1 | 2 | 4.8 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 10269001 | 85685 | 0 | None | 17 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 4 | 1 | 2 | 4.8 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL228690 | 85685 | 0 | None | 17 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 4 | 1 | 2 | 4.8 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 10269001 | 85685 | 0 | None | 17 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 4 | 1 | 2 | 4.8 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL228690 | 85685 | 0 | None | 17 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 343 | 4 | 1 | 2 | 4.8 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.03.031 | |||
| 44574587 | 178433 | 0 | None | 29 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 496 | 6 | 1 | 4 | 6.4 | COc1ccc(CC2(O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccc(C)cc2Cl)nc1 | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL466066 | 178433 | 0 | None | 29 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 496 | 6 | 1 | 4 | 6.4 | COc1ccc(CC2(O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccc(C)cc2Cl)nc1 | 10.1016/j.bmcl.2009.03.031 | |||
| 76313427 | 103348 | 0 | None | 3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 543 | 5 | 1 | 3 | 6.3 | NC(=O)[C@@]1(c2ccc(Br)nc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084561 | 103348 | 0 | None | 3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 543 | 5 | 1 | 3 | 6.3 | NC(=O)[C@@]1(c2ccc(Br)nc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 24970041 | 128195 | 0 | None | 13 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 4.4 | O=c1[nH]c2ccccc2n([C@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O | nan | |||
| CHEMBL3665440 | 128195 | 0 | None | 13 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 4.4 | O=c1[nH]c2ccccc2n([C@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O | nan | |||
| 10669670 | 34652 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 417 | 5 | 2 | 4 | 5.6 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccccc3Cl)ccc2n1 | 10.1021/jm0002073 | |||
| CHEMBL142999 | 34652 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 417 | 5 | 2 | 4 | 5.6 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccccc3Cl)ccc2n1 | 10.1021/jm0002073 | |||
| 70684436 | 76660 | 0 | None | 6 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 405 | 5 | 0 | 3 | 3.3 | CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(c2ccccc2)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| CHEMBL2064157 | 76660 | 0 | None | 6 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 405 | 5 | 0 | 3 | 3.3 | CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(c2ccccc2)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| 44253564 | 145441 | 0 | None | 3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 466 | 6 | 0 | 2 | 7.1 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2cccc(C(F)(F)F)c2)CC1 | nan | |||
| CHEMBL3914240 | 145441 | 0 | None | 3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 466 | 6 | 0 | 2 | 7.1 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2cccc(C(F)(F)F)c2)CC1 | nan | |||
| 1627 | 2592 | 20 | None | -5 | 13 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 285 | 0 | 2 | 4 | 1.2 | O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O | 10.1016/j.bmcl.2006.05.060 | |||
| 1845 | 2592 | 20 | None | -5 | 13 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 285 | 0 | 2 | 4 | 1.2 | O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O | 10.1016/j.bmcl.2006.05.060 | |||
| 5288826 | 2592 | 20 | None | -5 | 13 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 285 | 0 | 2 | 4 | 1.2 | O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O | 10.1016/j.bmcl.2006.05.060 | |||
| CHEMBL70 | 2592 | 20 | None | -5 | 13 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 285 | 0 | 2 | 4 | 1.2 | O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O | 10.1016/j.bmcl.2006.05.060 | |||
| DB00295 | 2592 | 20 | None | -5 | 13 | Guinea pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 285 | 0 | 2 | 4 | 1.2 | O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O | 10.1016/j.bmcl.2006.05.060 | |||
| 24776411 | 97695 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 342 | 4 | 1 | 2 | 4.0 | CNC(=O)C1(c2ccccc2)CCN(C2CCC(C(C)C)CC2)CC1 | 10.1021/jm7009606 | |||
| CHEMBL271322 | 97695 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 342 | 4 | 1 | 2 | 4.0 | CNC(=O)C1(c2ccccc2)CCN(C2CCC(C(C)C)CC2)CC1 | 10.1021/jm7009606 | |||
| 118705898 | 112864 | 0 | None | -8511 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 484 | 4 | 2 | 5 | 3.6 | O=C1CCC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N1Cc1ccccc1 | 10.1016/j.bmc.2014.05.065 | |||
| CHEMBL3309515 | 112864 | 0 | None | -8511 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 484 | 4 | 2 | 5 | 3.6 | O=C1CCC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N1Cc1ccccc1 | 10.1016/j.bmc.2014.05.065 | |||
| 44252242 | 150121 | 0 | None | -6 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 336 | 5 | 0 | 2 | 4.6 | CN(C)C1(Cc2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| CHEMBL3951213 | 150121 | 0 | None | -6 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 336 | 5 | 0 | 2 | 4.6 | CN(C)C1(Cc2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| 44426834 | 85705 | 0 | None | 1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 377 | 4 | 1 | 2 | 5.4 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL228850 | 85705 | 0 | None | 1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 377 | 4 | 1 | 2 | 5.4 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 9797246 | 91717 | 0 | None | 1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 322 | 3 | 1 | 4 | 2.0 | O=C1NCN(c2ccccc2)C12CCN(Cc1cccnc1)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL240896 | 91717 | 0 | None | 1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 322 | 3 | 1 | 4 | 2.0 | O=C1NCN(c2ccccc2)C12CCN(Cc1cccnc1)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 56681954 | 65703 | 0 | None | -43 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 543 | 5 | 2 | 5 | 5.8 | CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)c1ccc(C(C)(C)C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | |||
| CHEMBL1834412 | 65703 | 0 | None | -43 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 543 | 5 | 2 | 5 | 5.8 | CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)c1ccc(C(C)(C)C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | |||
| 44426817 | 85684 | 0 | None | 3 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 325 | 6 | 1 | 3 | 3.7 | CCOCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL228687 | 85684 | 0 | None | 3 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 325 | 6 | 1 | 3 | 3.7 | CCOCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 44337252 | 5251 | 0 | None | 3 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 322 | 9 | 1 | 2 | 5.2 | CCCCC(CCCC)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL106359 | 5251 | 0 | None | 3 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 322 | 9 | 1 | 2 | 5.2 | CCCCC(CCCC)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| 11165726 | 111613 | 0 | None | -6 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 408 | 3 | 0 | 2 | 5.4 | CC(c1ccc2c(c1)Cc1ccccc1-2)N1CCC(N2C(=O)Cc3ccccc32)CC1 | 10.1021/jm034249d | |||
| CHEMBL328411 | 111613 | 0 | None | -6 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 408 | 3 | 0 | 2 | 5.4 | CC(c1ccc2c(c1)Cc1ccccc1-2)N1CCC(N2C(=O)Cc3ccccc32)CC1 | 10.1021/jm034249d | |||
| 44426806 | 168257 | 0 | None | 10 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 295 | 4 | 1 | 2 | 4.1 | CCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL433814 | 168257 | 0 | None | 10 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 295 | 4 | 1 | 2 | 4.1 | CCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 24776406 | 96004 | 0 | None | 8 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 462 | 3 | 0 | 2 | 6.3 | CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2cc(F)ccc23)CC1 | 10.1021/jm7009606 | |||
| CHEMBL259681 | 96004 | 0 | None | 8 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 462 | 3 | 0 | 2 | 6.3 | CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2cc(F)ccc23)CC1 | 10.1021/jm7009606 | |||
| 10336926 | 86725 | 0 | None | 33 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.4 | OC1(c2ccco2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL231874 | 86725 | 0 | None | 33 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.4 | OC1(c2ccco2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 134578518 | 173004 | 0 | None | 7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 397 | 7 | 2 | 4 | 4.6 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CNCCO)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| CHEMBL4518220 | 173004 | 0 | None | 7 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 397 | 7 | 2 | 4 | 4.6 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CNCCO)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| 44252681 | 142481 | 0 | None | -758 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 394 | 6 | 1 | 2 | 5.0 | CN(C)C1(c2cccc(F)c2)CCC(C)(CNC(=O)/C=C/c2ccccc2)CC1 | nan | |||
| CHEMBL3890424 | 142481 | 0 | None | -758 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 394 | 6 | 1 | 2 | 5.0 | CN(C)C1(c2cccc(F)c2)CCC(C)(CNC(=O)/C=C/c2ccccc2)CC1 | nan | |||
| 44337131 | 107325 | 0 | None | 36 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 396 | 5 | 1 | 2 | 5.6 | N[C@H](c1cccc(C(F)(F)F)c1)[C@H]1CCN1C(c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL317479 | 107325 | 0 | None | 36 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 396 | 5 | 1 | 2 | 5.6 | N[C@H](c1cccc(C(F)(F)F)c1)[C@H]1CCN1C(c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(02)00652-2 | |||
| 44391094 | 64473 | 0 | None | 3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 422 | 7 | 2 | 6 | 4.8 | Cc1ccc(N)cc1OC(CCN1CCC(n2c(O)nc3ccccc32)CC1)C(C)C | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL181389 | 64473 | 0 | None | 3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 422 | 7 | 2 | 6 | 4.8 | Cc1ccc(N)cc1OC(CCN1CCC(n2c(O)nc3ccccc32)CC1)C(C)C | 10.1016/j.bmcl.2004.11.049 | |||
| 44248791 | 103379 | 0 | None | 46 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 436 | 4 | 0 | 2 | 7.2 | Cc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1 | 10.1021/jm9008218 | |||
| CHEMBL3084648 | 103379 | 0 | None | 46 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 436 | 4 | 0 | 2 | 7.2 | Cc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1 | 10.1021/jm9008218 | |||
| 44426810 | 85965 | 0 | None | 2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 337 | 7 | 1 | 2 | 5.3 | CCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL230253 | 85965 | 0 | None | 2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 337 | 7 | 1 | 2 | 5.3 | CCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 10089987 | 86763 | 0 | None | 53 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 361 | 4 | 1 | 2 | 4.9 | OC1(c2ccc(F)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL232066 | 86763 | 0 | None | 53 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 361 | 4 | 1 | 2 | 4.9 | OC1(c2ccc(F)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 44574630 | 189421 | 0 | None | 109 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 534 | 6 | 1 | 3 | 7.4 | Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2CCCN2Cc2ccccc2)C3)c(Cl)c1 | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL513303 | 189421 | 0 | None | 109 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 534 | 6 | 1 | 3 | 7.4 | Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2CCCN2Cc2ccccc2)C3)c(Cl)c1 | 10.1016/j.bmcl.2009.03.031 | |||
| 44438916 | 91218 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 327 | 3 | 1 | 4 | 2.7 | O=C1NCN(c2ccccc2)C12CCN(Cc1ccsc1)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL240033 | 91218 | 0 | None | 1 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 327 | 3 | 1 | 4 | 2.7 | O=C1NCN(c2ccccc2)C12CCN(Cc1ccsc1)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 18782384 | 169375 | 0 | None | 14 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 375 | 2 | 1 | 3 | 3.9 | O=C1NCN(c2ccccc2)C12CCN(C1CCCCc3ccccc31)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL442090 | 169375 | 0 | None | 14 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 375 | 2 | 1 | 3 | 3.9 | O=C1NCN(c2ccccc2)C12CCN(C1CCCCc3ccccc31)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 44438967 | 91770 | 0 | None | 25 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 431 | 4 | 1 | 3 | 4.9 | O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccc(Cl)cc1)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL241080 | 91770 | 0 | None | 25 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 431 | 4 | 1 | 3 | 4.9 | O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccc(Cl)cc1)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 44575092 | 178680 | 0 | None | 5 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.0 | C[C@@H]1CN(C(c2ccccc2)c2ccccc2)CC[C@@]1(O)c1ccccc1 | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL467933 | 178680 | 0 | None | 5 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.0 | C[C@@H]1CN(C(c2ccccc2)c2ccccc2)CC[C@@]1(O)c1ccccc1 | 10.1016/j.bmcl.2009.03.031 | |||
| 44402413 | 124334 | 0 | None | 1 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 460 | 2 | 0 | 5 | 6.3 | N#Cc1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1 | 10.1016/j.bmcl.2005.03.076 | |||
| CHEMBL363622 | 124334 | 0 | None | 1 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 460 | 2 | 0 | 5 | 6.3 | N#Cc1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1 | 10.1016/j.bmcl.2005.03.076 | |||
| 44430021 | 87519 | 0 | None | 5 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 368 | 4 | 1 | 3 | 4.6 | N#Cc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL233501 | 87519 | 0 | None | 5 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 368 | 4 | 1 | 3 | 4.6 | N#Cc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2007.03.062 | |||
| 122179064 | 121407 | 0 | None | -13182 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 477 | 5 | 2 | 6 | 4.3 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccoc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| CHEMBL3581762 | 121407 | 0 | None | -13182 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 477 | 5 | 2 | 6 | 4.3 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccoc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| 24776400 | 156950 | 0 | None | 7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 386 | 1 | 0 | 2 | 4.7 | CN1Cc2cc(F)ccc2C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O | 10.1021/jm7009606 | |||
| CHEMBL407275 | 156950 | 0 | None | 7 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 386 | 1 | 0 | 2 | 4.7 | CN1Cc2cc(F)ccc2C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O | 10.1021/jm7009606 | |||
| 44253419 | 147261 | 0 | None | 5 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 428 | 7 | 0 | 3 | 6.1 | COc1ccc(CN(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)cc1 | nan | |||
| CHEMBL3928651 | 147261 | 0 | None | 5 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 428 | 7 | 0 | 3 | 6.1 | COc1ccc(CN(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)cc1 | nan | |||
| 44395286 | 67003 | 0 | None | -489 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 531 | 7 | 1 | 4 | 6.2 | COC(=O)C(CCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2004.08.032 | |||
| CHEMBL186938 | 67003 | 0 | None | -489 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 531 | 7 | 1 | 4 | 6.2 | COC(=O)C(CCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2004.08.032 | |||
| CHEMBL427617 | 213354 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N(C)C(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O | 10.1021/jm0202021 | |||||
| 69016300 | 153836 | 0 | None | -3 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 416 | 5 | 0 | 4 | 4.4 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)c2ccn(C)n2)CC1 | nan | |||
| CHEMBL3982651 | 153836 | 0 | None | -3 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 416 | 5 | 0 | 4 | 4.4 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)c2ccn(C)n2)CC1 | nan | |||
| 10601891 | 96788 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 513 | 5 | 0 | 4 | 5.2 | O=C(CN1CN(c2ccccc2)C2(CCN(C3CCc4cccc(Cl)c4C3)CC2)C1=O)c1ccccc1 | 10.1021/jm991129q | |||
| CHEMBL26483 | 96788 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 513 | 5 | 0 | 4 | 5.2 | O=C(CN1CN(c2ccccc2)C2(CCN(C3CCc4cccc(Cl)c4C3)CC2)C1=O)c1ccccc1 | 10.1021/jm991129q | |||
| 11757207 | 87015 | 0 | None | 8 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 546 | 9 | 2 | 4 | 5.9 | CCCS(=O)(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL232478 | 87015 | 0 | None | 8 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 546 | 9 | 2 | 4 | 5.9 | CCCS(=O)(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 44430033 | 147909 | 0 | None | 50 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 363 | 4 | 1 | 3 | 5.1 | Cc1ccsc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL393356 | 147909 | 0 | None | 50 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 363 | 4 | 1 | 3 | 5.1 | Cc1ccsc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 118718277 | 115313 | 0 | None | 51 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 524 | 7 | 1 | 2 | 7.2 | CC(=O)NC[C@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349261 | 115313 | 0 | None | 51 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 524 | 7 | 1 | 2 | 7.2 | CC(=O)NC[C@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 76316935 | 103319 | 0 | None | 9 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 499 | 5 | 1 | 3 | 6.2 | NC(=O)[C@@]1(c2ccc(Cl)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084530 | 103319 | 0 | None | 9 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 499 | 5 | 1 | 3 | 6.2 | NC(=O)[C@@]1(c2ccc(Cl)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 76327872 | 103329 | 0 | None | 30 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 501 | 5 | 1 | 3 | 5.8 | NC(=O)[C@@]1(c2cc(F)cc(F)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084541 | 103329 | 0 | None | 30 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 501 | 5 | 1 | 3 | 5.8 | NC(=O)[C@@]1(c2cc(F)cc(F)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 46880031 | 7447 | 0 | None | 39 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 398 | 4 | 1 | 5 | 3.3 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1086749 | 7447 | 0 | None | 39 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 398 | 4 | 1 | 5 | 3.3 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 44437644 | 91795 | 0 | None | 5 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 538 | 12 | 2 | 8 | 3.4 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NCCO)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL241155 | 91795 | 0 | None | 5 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 538 | 12 | 2 | 8 | 3.4 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NCCO)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| 16739256 | 148673 | 0 | None | 61 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 457 | 2 | 1 | 3 | 5.5 | CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL393980 | 148673 | 0 | None | 61 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 457 | 2 | 1 | 3 | 5.5 | CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2007.01.069 | |||
| 71624266 | 90457 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 368 | 4 | 0 | 2 | 5.0 | CCC(C)(C)[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2013.03.101 | |||
| CHEMBL2387189 | 90457 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 368 | 4 | 0 | 2 | 5.0 | CCC(C)(C)[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2013.03.101 | |||
| 10697286 | 99801 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 519 | 4 | 0 | 3 | 6.2 | O=C1N(Cc2ccccc2)CN(c2ccccc2)C12CCN(C1CCc3c(Cl)ccc(Cl)c3C1)CC2 | 10.1021/jm991129q | |||
| CHEMBL285377 | 99801 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 519 | 4 | 0 | 3 | 6.2 | O=C1N(Cc2ccccc2)CN(c2ccccc2)C12CCN(C1CCc3c(Cl)ccc(Cl)c3C1)CC2 | 10.1021/jm991129q | |||
| 11233481 | 4329 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 352 | 3 | 0 | 2 | 4.1 | CC1(C)C2CCC(CN3CCC(N4C(=O)Cc5ccccc54)CC3)C1C2 | 10.1021/jm034249d | |||
| CHEMBL100938 | 4329 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 352 | 3 | 0 | 2 | 4.1 | CC1(C)C2CCC(CN3CCC(N4C(=O)Cc5ccccc54)CC3)C1C2 | 10.1021/jm034249d | |||
| 155537352 | 172293 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 348 | 4 | 0 | 3 | 4.4 | CCCC(=O)N1CCC2(CCC(c3sccc3C)(N(C)C)CC2)C1 | 10.1021/acsmedchemlett.6b00277 | |||
| CHEMBL4474989 | 172293 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 348 | 4 | 0 | 3 | 4.4 | CCCC(=O)N1CCC2(CCC(c3sccc3C)(N(C)C)CC2)C1 | 10.1021/acsmedchemlett.6b00277 | |||
| 11164004 | 108549 | 0 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 352 | 2 | 0 | 2 | 4.4 | O=C1Cc2ccccc2N1C1CCN(C2CCCC3CCCCC32)CC1 | 10.1021/jm034249d | |||
| CHEMBL320182 | 108549 | 0 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 352 | 2 | 0 | 2 | 4.4 | O=C1Cc2ccccc2N1C1CCN(C2CCCC3CCCCC32)CC1 | 10.1021/jm034249d | |||
| CHEMBL414792 | 213155 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](N)CNCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O | 10.1021/jm990075h | |||||
| 15512236 | 104886 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 413 | 3 | 1 | 4 | 3.9 | COc1cccc(N2CNC(=O)C23CCN(C2Cc4cccc5cccc2c45)CC3)c1 | 10.1016/s0960-894x(99)00385-6 | |||
| CHEMBL311185 | 104886 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 413 | 3 | 1 | 4 | 3.9 | COc1cccc(N2CNC(=O)C23CCN(C2Cc4cccc5cccc2c45)CC3)c1 | 10.1016/s0960-894x(99)00385-6 | |||
| 25190627 | 189788 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 494 | 8 | 1 | 4 | 5.2 | CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCCc4ccc(Cl)cc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL516187 | 189788 | 0 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 494 | 8 | 1 | 4 | 5.2 | CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCCc4ccc(Cl)cc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 134578342 | 173059 | 0 | None | 16 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 438 | 8 | 2 | 4 | 4.7 | CCNCC(=O)NCc1cn(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc12 | 10.1021/acs.jmedchem.9b02134 | |||
| CHEMBL4519453 | 173059 | 0 | None | 16 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 438 | 8 | 2 | 4 | 4.7 | CCNCC(=O)NCc1cn(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc12 | 10.1021/acs.jmedchem.9b02134 | |||
| 118705899 | 112865 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 498 | 5 | 2 | 5 | 3.7 | O=C1CCC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N1CCc1ccccc1 | 10.1016/j.bmc.2014.05.065 | |||
| CHEMBL3309516 | 112865 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 498 | 5 | 2 | 5 | 3.7 | O=C1CCC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N1CCc1ccccc1 | 10.1016/j.bmc.2014.05.065 | |||
| 118662129 | 175546 | 0 | None | -6 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 342 | 6 | 0 | 2 | 4.1 | CCCCN1CCC2(CCC(Cc3ccccc3)(N(C)C)CC2)C1=O | 10.1021/acsmedchemlett.6b00277 | |||
| CHEMBL4578716 | 175546 | 0 | None | -6 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 342 | 6 | 0 | 2 | 4.1 | CCCCN1CCC2(CCC(Cc3ccccc3)(N(C)C)CC2)C1=O | 10.1021/acsmedchemlett.6b00277 | |||
| 44337357 | 7743 | 0 | None | 3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 362 | 5 | 1 | 2 | 5.2 | N[C@@H](c1ccc(Cl)cc1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL108904 | 7743 | 0 | None | 3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 362 | 5 | 1 | 2 | 5.2 | N[C@@H](c1ccc(Cl)cc1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(02)00652-2 | |||
| 57502889 | 128188 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 383 | 2 | 0 | 3 | 4.0 | CN1C(=O)CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 | nan | |||
| CHEMBL3665434 | 128188 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 383 | 2 | 0 | 3 | 4.0 | CN1C(=O)CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 | nan | |||
| 44339393 | 110690 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 351 | 3 | 1 | 2 | 5.0 | OC1(c2ccc(Cl)cc2)CCN(Cc2ccc3ccccc3c2)CC1 | 10.1016/s0960-894x(03)00665-6 | |||
| CHEMBL326030 | 110690 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 351 | 3 | 1 | 2 | 5.0 | OC1(c2ccc(Cl)cc2)CCN(Cc2ccc3ccccc3c2)CC1 | 10.1016/s0960-894x(03)00665-6 | |||
| 44437601 | 90626 | 0 | None | 7 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 481 | 10 | 0 | 7 | 4.9 | COCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL238833 | 90626 | 0 | None | 7 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 481 | 10 | 0 | 7 | 4.9 | COCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| 44437643 | 154633 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 550 | 10 | 1 | 7 | 5.2 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC(C)(C)C)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL399393 | 154633 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 550 | 10 | 1 | 7 | 5.2 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC(C)(C)C)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| 57502894 | 128184 | 0 | None | 3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 439 | 5 | 1 | 3 | 5.5 | CCC1(CC)C(=O)Nc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)C1=O | nan | |||
| CHEMBL3665430 | 128184 | 0 | None | 3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 439 | 5 | 1 | 3 | 5.5 | CCC1(CC)C(=O)Nc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)C1=O | nan | |||
| 44574393 | 178654 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.0 | C[C@H]1CN(C(c2ccccc2)c2ccccc2)CC[C@@]1(O)c1ccccc1 | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL467676 | 178654 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.0 | C[C@H]1CN(C(c2ccccc2)c2ccccc2)CC[C@@]1(O)c1ccccc1 | 10.1016/j.bmcl.2009.03.031 | |||
| 54585396 | 62648 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 420 | 8 | 0 | 4 | 4.6 | c1ccc(CN2CCC[C@@H]2COCCCN2CCC3(CC2)OCc2ccccc23)cc1 | 10.1016/j.bmc.2009.05.068 | |||
| CHEMBL1783823 | 62648 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 420 | 8 | 0 | 4 | 4.6 | c1ccc(CN2CCC[C@@H]2COCCCN2CCC3(CC2)OCc2ccccc23)cc1 | 10.1016/j.bmc.2009.05.068 | |||
| 56681955 | 65707 | 0 | None | -18 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 545 | 4 | 2 | 5 | 5.2 | CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4cc(Br)c(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | |||
| CHEMBL1834416 | 65707 | 0 | None | -18 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 545 | 4 | 2 | 5 | 5.2 | CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4cc(Br)c(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | |||
| 44437629 | 90622 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 495 | 10 | 1 | 7 | 4.3 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)O)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL238796 | 90622 | 0 | None | 1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 495 | 10 | 1 | 7 | 4.3 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)O)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| 10291377 | 99097 | 0 | None | 67 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 347 | 3 | 1 | 2 | 4.1 | O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC2CCCCCCC2)CC1 | 10.1016/j.bmcl.2003.11.083 | |||
| CHEMBL280778 | 99097 | 0 | None | 67 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 347 | 3 | 1 | 2 | 4.1 | O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CC2CCCCCCC2)CC1 | 10.1016/j.bmcl.2003.11.083 | |||
| 44426814 | 153456 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 357 | 5 | 1 | 2 | 5.0 | OC1(c2ccccc2)CCN(C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL397945 | 153456 | 0 | None | 1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 357 | 5 | 1 | 2 | 5.0 | OC1(c2ccccc2)CCN(C(Cc2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 44430022 | 87520 | 0 | None | 11 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 373 | 5 | 2 | 3 | 4.3 | OCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL233502 | 87520 | 0 | None | 11 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 373 | 5 | 2 | 3 | 4.3 | OCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 42629117 | 178547 | 0 | None | 7 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 482 | 5 | 1 | 2 | 6.3 | NC(=O)C1(c2ccc(F)cc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL466921 | 178547 | 0 | None | 7 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 482 | 5 | 1 | 2 | 6.3 | NC(=O)C1(c2ccc(F)cc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 76313423 | 103330 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 501 | 5 | 1 | 3 | 5.8 | NC(=O)[C@@]1(c2nc(F)ccc2F)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084542 | 103330 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 501 | 5 | 1 | 3 | 5.8 | NC(=O)[C@@]1(c2nc(F)ccc2F)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 56658044 | 65704 | 0 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 519 | 6 | 2 | 5 | 5.2 | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CC4CCC1C4)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | |||
| CHEMBL1834413 | 65704 | 0 | None | -2 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 519 | 6 | 2 | 5 | 5.2 | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CC4CCC1C4)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | |||
| 46879477 | 5897 | 0 | None | -4 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 454 | 6 | 1 | 5 | 4.1 | CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccccc3-c3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1079562 | 5897 | 0 | None | -4 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 454 | 6 | 1 | 5 | 4.1 | CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccccc3-c3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 44413408 | 77884 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 368 | 2 | 1 | 1 | 5.8 | Fc1ccc2c(C3=CCN(C4Cc5cccc6cccc4c56)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.03.094 | |||
| CHEMBL209399 | 77884 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 368 | 2 | 1 | 1 | 5.8 | Fc1ccc2c(C3=CCN(C4Cc5cccc6cccc4c56)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.03.094 | |||
| 118711156 | 120562 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 4 | 1 | 2 | 4.0 | CN(C)[C@]1(c2ccccc2)CC[C@@](O)(Cc2ccccc2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3325746 | 120562 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 4 | 1 | 2 | 4.0 | CN(C)[C@]1(c2ccccc2)CC[C@@](O)(Cc2ccccc2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3545628 | 120562 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 309 | 4 | 1 | 2 | 4.0 | CN(C)[C@]1(c2ccccc2)CC[C@@](O)(Cc2ccccc2)CC1 | 10.1021/ml500116x | |||
| 44252683 | 145127 | 0 | None | -2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 288 | 6 | 1 | 2 | 4.2 | CCCCC1(N(C)C)CCC(NC)(c2ccccc2)CC1 | nan | |||
| CHEMBL3911970 | 145127 | 0 | None | -2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 288 | 6 | 1 | 2 | 4.2 | CCCCC1(N(C)C)CCC(NC)(c2ccccc2)CC1 | nan | |||
| 10388166 | 85737 | 0 | None | 22 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 433 | 7 | 0 | 2 | 7.0 | c1ccc(COC2(c3ccccc3)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL229018 | 85737 | 0 | None | 22 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 433 | 7 | 0 | 2 | 7.0 | c1ccc(COC2(c3ccccc3)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2007.03.061 | |||
| 44252987 | 144522 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 390 | 4 | 0 | 2 | 5.5 | CN(C)C1(c2ccccc2)CCC(c2ccc(C(F)(F)F)cc2)(N(C)C)CC1 | nan | |||
| CHEMBL3907138 | 144522 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 390 | 4 | 0 | 2 | 5.5 | CN(C)C1(c2ccccc2)CCC(c2ccc(C(F)(F)F)cc2)(N(C)C)CC1 | nan | |||
| 44413396 | 138940 | 0 | None | 2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 448 | 5 | 2 | 5 | 4.4 | N#Cc1ccc2c(c1)c(C1=CCN(C3Cc4cccc5cccc3c45)CC1)cn2C[C@H](O)CN | 10.1016/j.bmcl.2006.03.094 | |||
| CHEMBL378453 | 138940 | 0 | None | 2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 448 | 5 | 2 | 5 | 4.4 | N#Cc1ccc2c(c1)c(C1=CCN(C3Cc4cccc5cccc3c45)CC1)cn2C[C@H](O)CN | 10.1016/j.bmcl.2006.03.094 | |||
| 59159346 | 129038 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 398 | 3 | 1 | 5 | 3.1 | COc1ccc2c(n1)NC(=O)CC(=O)N2C1CCN(C2/C=C\CCCCC2)CC1 | nan | |||
| CHEMBL3670295 | 129038 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 398 | 3 | 1 | 5 | 3.1 | COc1ccc2c(n1)NC(=O)CC(=O)N2C1CCN(C2/C=C\CCCCC2)CC1 | nan | |||
| 44430029 | 86680 | 0 | None | 1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 385 | 7 | 1 | 2 | 5.6 | OC1(CCCc2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL231664 | 86680 | 0 | None | 1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 385 | 7 | 1 | 2 | 5.6 | OC1(CCCc2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 18666969 | 32878 | 3 | None | - | 1 | Guinea pig | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 365 | 2 | 2 | 6 | 0.7 | CN1CC[C@]23c4c5ccc(OS(=O)(=O)O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5 | 10.1016/j.bmcl.2006.05.060 | |||
| 44414680 | 32878 | 3 | None | - | 1 | Guinea pig | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 365 | 2 | 2 | 6 | 0.7 | CN1CC[C@]23c4c5ccc(OS(=O)(=O)O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5 | 10.1016/j.bmcl.2006.05.060 | |||
| CHEMBL1415 | 32878 | 3 | None | - | 1 | Guinea pig | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 365 | 2 | 2 | 6 | 0.7 | CN1CC[C@]23c4c5ccc(OS(=O)(=O)O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5 | 10.1016/j.bmcl.2006.05.060 | |||
| 44252386 | 152010 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 462 | 9 | 1 | 3 | 5.8 | CCCCC1(CNS(=O)(=O)c2ccc(Cl)cc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| CHEMBL3966922 | 152010 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 462 | 9 | 1 | 3 | 5.8 | CCCCC1(CNS(=O)(=O)c2ccc(Cl)cc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| 10043439 | 149590 | 0 | None | 22 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 349 | 4 | 1 | 2 | 5.2 | OC1(C2CCCCC2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL394695 | 149590 | 0 | None | 22 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 349 | 4 | 1 | 2 | 5.2 | OC1(C2CCCCC2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 118718269 | 115305 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 457 | 5 | 2 | 3 | 5.8 | NC[C@]1(C2CCCCN2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349253 | 115305 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 457 | 5 | 2 | 3 | 5.8 | NC[C@]1(C2CCCCN2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 118718291 | 115327 | 0 | None | 87 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 478 | 6 | 0 | 2 | 7.2 | CN(C)C[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349275 | 115327 | 0 | None | 87 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 478 | 6 | 0 | 2 | 7.2 | CN(C)C[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 24894425 | 179127 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 364 | 3 | 1 | 3 | 4.4 | Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(C)(O)C2)CC1 | 10.1021/jm701590h | |||
| CHEMBL471981 | 179127 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 364 | 3 | 1 | 3 | 4.4 | Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(C)(O)C2)CC1 | 10.1021/jm701590h | |||
| 76316937 | 103343 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 6.5 | NC(=O)C[C@@]1(Cc2ccc(O)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084556 | 103343 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 6.5 | NC(=O)C[C@@]1(Cc2ccc(O)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 44575043 | 189384 | 0 | None | 28 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 471 | 5 | 2 | 3 | 5.3 | NC(=O)C1(C2CCCCN2)C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL512962 | 189384 | 0 | None | 28 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 471 | 5 | 2 | 3 | 5.3 | NC(=O)C1(C2CCCCN2)C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 44438921 | 91295 | 0 | None | 3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 3.6 | CCC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL240216 | 91295 | 0 | None | 3 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 3.6 | CCC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2007.01.069 | |||
| 52951939 | 83597 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 3.7 | NC(=O)[C@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm101487v | |||
| CHEMBL2204354 | 83597 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 3.7 | NC(=O)[C@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm101487v | |||
| 44451593 | 156641 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 548 | 10 | 0 | 8 | 6.1 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4csc(C)n4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL406926 | 156641 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 548 | 10 | 0 | 8 | 6.1 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4csc(C)n4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL410167 | 212801 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(I)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010221v | |||||
| 44252101 | 151210 | 0 | None | 36 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 308 | 4 | 1 | 2 | 4.1 | CNC1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| CHEMBL3959941 | 151210 | 0 | None | 36 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 308 | 4 | 1 | 2 | 4.1 | CNC1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| 118662042 | 174387 | 0 | None | -38 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 328 | 6 | 0 | 2 | 4.6 | CCCCN1CCC2(CCC(Cc3ccccc3)(N(C)C)CC2)C1 | 10.1021/acsmedchemlett.6b00277 | |||
| CHEMBL4552146 | 174387 | 0 | None | -38 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 328 | 6 | 0 | 2 | 4.6 | CCCCN1CCC2(CCC(Cc3ccccc3)(N(C)C)CC2)C1 | 10.1021/acsmedchemlett.6b00277 | |||
| CHEMBL2371034 | 210001 | 0 | None | -6 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)CC[C@@H]1C(C)(C)C | 10.1021/jm020078l | |||||
| 118718282 | 115318 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 507 | 6 | 1 | 3 | 6.5 | CC(=O)NC[C@]1(c2ncccc2C)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349266 | 115318 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 507 | 6 | 1 | 3 | 6.5 | CC(=O)NC[C@]1(c2ncccc2C)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 25129302 | 129037 | 0 | None | 69 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 409 | 2 | 1 | 3 | 4.9 | O=C1CC(=O)N([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c2ccccc2N1 | nan | |||
| CHEMBL3670294 | 129037 | 0 | None | 69 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 409 | 2 | 1 | 3 | 4.9 | O=C1CC(=O)N([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c2ccccc2N1 | nan | |||
| 44430013 | 148290 | 0 | None | 6 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 385 | 6 | 1 | 2 | 5.7 | CCCc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL393675 | 148290 | 0 | None | 6 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 385 | 6 | 1 | 2 | 5.7 | CCCc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2007.03.062 | |||
| 44252835 | 154187 | 0 | None | -4 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 302 | 6 | 0 | 2 | 4.5 | CCCCC1(N(C)C)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| CHEMBL3985824 | 154187 | 0 | None | -4 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 302 | 6 | 0 | 2 | 4.5 | CCCCC1(N(C)C)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| 57502946 | 128191 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 464 | 3 | 1 | 5 | 3.7 | O=C(C1=C(n2c(=O)c(=O)[nH]c3ccccc32)CCN(C2CCCCCCC2)C1)N1CCCCC1 | nan | |||
| CHEMBL3665437 | 128191 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 464 | 3 | 1 | 5 | 3.7 | O=C(C1=C(n2c(=O)c(=O)[nH]c3ccccc32)CCN(C2CCCCCCC2)C1)N1CCCCC1 | nan | |||
| 57502948 | 129041 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 486 | 5 | 2 | 5 | 4.0 | O=C(NCc1ccccc1)C1=C(n2c(=O)c(=O)[nH]c3ccccc32)CCN(C2CCCCCCC2)C1 | nan | |||
| CHEMBL3670298 | 129041 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 486 | 5 | 2 | 5 | 4.0 | O=C(NCc1ccccc1)C1=C(n2c(=O)c(=O)[nH]c3ccccc32)CCN(C2CCCCCCC2)C1 | nan | |||
| CHEMBL262928 | 210551 | 0 | None | - | 1 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010221v | |||||
| 58358756 | 125798 | 0 | None | 11 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 435 | 3 | 1 | 5 | 4.8 | O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C23CCCC(CCC2)C3)c1=O | nan | |||
| CHEMBL3647961 | 125798 | 0 | None | 11 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 435 | 3 | 1 | 5 | 4.8 | O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C23CCCC(CCC2)C3)c1=O | nan | |||
| 44253700 | 152634 | 0 | None | 23 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 380 | 8 | 1 | 3 | 4.6 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)CCCCO)CC1 | nan | |||
| CHEMBL3972320 | 152634 | 0 | None | 23 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 380 | 8 | 1 | 3 | 4.6 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)CCCCO)CC1 | nan | |||
| 44248918 | 103372 | 0 | None | 50 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 436 | 4 | 0 | 2 | 7.2 | Cc1ccnc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)c1 | 10.1021/jm9008218 | |||
| CHEMBL3084635 | 103372 | 0 | None | 50 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 436 | 4 | 0 | 2 | 7.2 | Cc1ccnc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)c1 | 10.1021/jm9008218 | |||
| 16665918 | 79747 | 0 | None | 28 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 370 | 2 | 1 | 1 | 5.9 | Fc1ccc2[nH]cc(C3CCN(C4Cc5cccc6cccc4c56)CC3)c2c1 | 10.1016/j.bmcl.2006.03.094 | |||
| CHEMBL211722 | 79747 | 0 | None | 28 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 370 | 2 | 1 | 1 | 5.9 | Fc1ccc2[nH]cc(C3CCN(C4Cc5cccc6cccc4c56)CC3)c2c1 | 10.1016/j.bmcl.2006.03.094 | |||
| 44426812 | 86600 | 0 | None | 8 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 8 | 1 | 2 | 5.7 | CCCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL231607 | 86600 | 0 | None | 8 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 8 | 1 | 2 | 5.7 | CCCCCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 11256620 | 179133 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 350 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C1CCN(C[C@H]2CCc3cccnc3[C@@H](O)C2)CC1 | 10.1021/jm701590h | |||
| CHEMBL471994 | 179133 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 350 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C1CCN(C[C@H]2CCc3cccnc3[C@@H](O)C2)CC1 | 10.1021/jm701590h | |||
| 46880239 | 6050 | 0 | None | 6 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 458 | 6 | 1 | 6 | 3.5 | CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc(OC)c4ccccc34)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1080520 | 6050 | 0 | None | 6 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 458 | 6 | 1 | 6 | 3.5 | CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc(OC)c4ccccc34)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 10160920 | 66971 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 447 | 6 | 0 | 3 | 5.0 | CCCCN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL186773 | 66971 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 447 | 6 | 0 | 3 | 5.0 | CCCCN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2004.08.001 | |||
| 127034554 | 139020 | 0 | None | 5 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 375 | 2 | 1 | 2 | 3.5 | NC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc32)CC1 | 10.1016/j.ejmech.2016.02.014 | |||
| CHEMBL3785839 | 139020 | 0 | None | 5 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 375 | 2 | 1 | 2 | 3.5 | NC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc32)CC1 | 10.1016/j.ejmech.2016.02.014 | |||
| 25190583 | 179373 | 0 | None | 25 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 509 | 6 | 1 | 4 | 5.2 | O=C1N(CCO)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL473884 | 179373 | 0 | None | 25 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 509 | 6 | 1 | 4 | 5.2 | O=C1N(CCO)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| 54756989 | 65701 | 0 | None | -14 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 481 | 5 | 2 | 5 | 4.8 | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | |||
| CHEMBL1834410 | 65701 | 0 | None | -14 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 481 | 5 | 2 | 5 | 4.8 | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | |||
| 9927928 | 90467 | 0 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 340 | 2 | 0 | 2 | 4.5 | O=C1CCc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 | 10.1016/j.bmcl.2013.03.101 | |||
| CHEMBL2387199 | 90467 | 0 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 340 | 2 | 0 | 2 | 4.5 | O=C1CCc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 | 10.1016/j.bmcl.2013.03.101 | |||
| 11581029 | 139064 | 0 | None | 3 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 346 | 2 | 0 | 2 | 4.0 | CN1Cc2ccccc2CC1CN1CCC2(CCc3ccccc32)CC1 | 10.1016/j.ejmech.2016.02.014 | |||
| CHEMBL3786338 | 139064 | 0 | None | 3 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 346 | 2 | 0 | 2 | 4.0 | CN1Cc2ccccc2CC1CN1CCC2(CCc3ccccc32)CC1 | 10.1016/j.ejmech.2016.02.014 | |||
| 87655565 | 151229 | 0 | None | -3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 428 | 5 | 1 | 4 | 5.4 | CN(C)C1(c2ccccc2)CCC(C(=N)c2cc3ccccc3n2C)(N2CCCC2)CC1 | nan | |||
| CHEMBL3960085 | 151229 | 0 | None | -3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 428 | 5 | 1 | 4 | 5.4 | CN(C)C1(c2ccccc2)CCC(C(=N)c2cc3ccccc3n2C)(N2CCCC2)CC1 | nan | |||
| 24799146 | 97730 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 436 | 6 | 1 | 2 | 5.7 | CC(C)C1CCC(N2CCC(C(=O)NCc3ccccc3)(c3ccccc3F)CC2)CC1 | 10.1021/jm7009606 | |||
| CHEMBL271542 | 97730 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 436 | 6 | 1 | 2 | 5.7 | CC(C)C1CCC(N2CCC(C(=O)NCc3ccccc3)(c3ccccc3F)CC2)CC1 | 10.1021/jm7009606 | |||
| 44430018 | 87513 | 0 | None | 16 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 5 | 1 | 3 | 4.8 | COc1cccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)c1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL233494 | 87513 | 0 | None | 16 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 5 | 1 | 3 | 4.8 | COc1cccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)c1 | 10.1016/j.bmcl.2007.03.062 | |||
| 10178311 | 79109 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 3 | 0 | 2 | 4.9 | CCN1C(=O)N(C2CCN(C3CCC4CCCCC4C3)CC2)[C@@H]2CCCC[C@H]21 | 10.1016/j.bmcl.2003.11.083 | |||
| CHEMBL2113273 | 79109 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 387 | 3 | 0 | 2 | 4.9 | CCN1C(=O)N(C2CCN(C3CCC4CCCCC4C3)CC2)[C@@H]2CCCC[C@H]21 | 10.1016/j.bmcl.2003.11.083 | |||
| 44337437 | 5206 | 0 | None | 7 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 370 | 9 | 1 | 2 | 6.1 | CCCCCCC(c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL106155 | 5206 | 0 | None | 7 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 370 | 9 | 1 | 2 | 6.1 | CCCCCCC(c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| 118662342 | 171653 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 390 | 6 | 0 | 4 | 4.3 | COC1(CCN2CC3(CCC(c4cccs4)(N(C)C)CC3)CC2=O)CCC1 | 10.1021/acsmedchemlett.6b00277 | |||
| CHEMBL4466096 | 171653 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 390 | 6 | 0 | 4 | 4.3 | COC1(CCN2CC3(CCC(c4cccs4)(N(C)C)CC3)CC2=O)CCC1 | 10.1021/acsmedchemlett.6b00277 | |||
| 24776396 | 97454 | 0 | None | 2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 372 | 2 | 0 | 2 | 4.3 | CC(C)C1CCC(N2CCC3(CC2)C(=O)N(C)Cc2cccc(F)c23)CC1 | 10.1021/jm7009606 | |||
| CHEMBL270133 | 97454 | 0 | None | 2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 372 | 2 | 0 | 2 | 4.3 | CC(C)C1CCC(N2CCC3(CC2)C(=O)N(C)Cc2cccc(F)c23)CC1 | 10.1021/jm7009606 | |||
| 24800188 | 156488 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 346 | 4 | 1 | 2 | 3.9 | CC(C)C1CCC(N2CCC(C(N)=O)(c3ccccc3F)CC2)CC1 | 10.1021/jm7009606 | |||
| CHEMBL406758 | 156488 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 346 | 4 | 1 | 2 | 3.9 | CC(C)C1CCC(N2CCC(C(N)=O)(c3ccccc3F)CC2)CC1 | 10.1021/jm7009606 | |||
| 46880155 | 7670 | 0 | None | 14 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 372 | 5 | 1 | 5 | 2.6 | CNC(=O)Cn1c(=O)n(C2CCN(CCC(C)(C)C)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1088569 | 7670 | 0 | None | 14 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 372 | 5 | 1 | 5 | 2.6 | CNC(=O)Cn1c(=O)n(C2CCN(CCC(C)(C)C)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 90656667 | 110960 | 0 | None | -245 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 479 | 5 | 2 | 5 | 4.6 | CC[C@](O)([C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5)C(C)(C)C | 10.1021/jm401964y | |||
| CHEMBL3262362 | 110960 | 0 | None | -245 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 479 | 5 | 2 | 5 | 4.6 | CC[C@](O)([C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5)C(C)(C)C | 10.1021/jm401964y | |||
| 44394419 | 66209 | 0 | None | 7 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 377 | 2 | 1 | 3 | 3.4 | O=S1(=O)NCc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL184451 | 66209 | 0 | None | 7 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 377 | 2 | 1 | 3 | 3.4 | O=S1(=O)NCc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 44394320 | 123639 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 463 | 6 | 1 | 4 | 4.1 | O=S1(=O)NCc2ccccc2N1C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL361926 | 123639 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 463 | 6 | 1 | 4 | 4.1 | O=S1(=O)NCc2ccccc2N1C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 90655978 | 111009 | 0 | None | -18 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.6 | CCC1C(=O)N(C2CCN(CCCc3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | |||
| CHEMBL3262551 | 111009 | 0 | None | -18 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.6 | CCC1C(=O)N(C2CCN(CCCc3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | |||
| 44426818 | 85689 | 0 | None | 3 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.9 | COC(=O)C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL228736 | 85689 | 0 | None | 3 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.9 | COC(=O)C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 44297727 | 194973 | 0 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 353 | 2 | 1 | 4 | 4.9 | Oc1nc2ccccc2n1[C@H]1CCN2[C@H](C3CCCCC3)CCC[C@@H]2C1 | 10.1016/j.bmcl.2003.09.068 | |||
| CHEMBL54603 | 194973 | 0 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 353 | 2 | 1 | 4 | 4.9 | Oc1nc2ccccc2n1[C@H]1CCN2[C@H](C3CCCCC3)CCC[C@@H]2C1 | 10.1016/j.bmcl.2003.09.068 | |||
| 44252387 | 147718 | 0 | None | -8 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 350 | 6 | 0 | 2 | 4.8 | CN(C)CC1(Cc2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| CHEMBL3932117 | 147718 | 0 | None | -8 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 350 | 6 | 0 | 2 | 4.8 | CN(C)CC1(Cc2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| 44426807 | 85956 | 0 | None | 12 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 309 | 5 | 1 | 2 | 4.5 | CCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL230145 | 85956 | 0 | None | 12 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 309 | 5 | 1 | 2 | 4.5 | CCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 44593576 | 189203 | 0 | None | 6 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 444 | 4 | 1 | 4 | 6.1 | OC1(c2cncs2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL511373 | 189203 | 0 | None | 6 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 444 | 4 | 1 | 4 | 6.1 | OC1(c2cncs2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 76327875 | 103333 | 0 | None | 19 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 515 | 6 | 1 | 3 | 6.1 | NC(=O)[C@@]1(c2cc(CF)c(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084545 | 103333 | 0 | None | 19 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 515 | 6 | 1 | 3 | 6.1 | NC(=O)[C@@]1(c2cc(CF)c(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 44437640 | 91230 | 0 | None | 14 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 536 | 12 | 1 | 7 | 4.8 | CCCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL240086 | 91230 | 0 | None | 14 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 536 | 12 | 1 | 7 | 4.8 | CCCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| 25190582 | 189774 | 0 | None | 34 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 537 | 6 | 0 | 5 | 5.4 | COC(=O)CN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL516077 | 189774 | 0 | None | 34 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 537 | 6 | 0 | 5 | 5.4 | COC(=O)CN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 10407144 | 193419 | 0 | None | -7 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 375 | 3 | 0 | 4 | 4.8 | CCn1c(=O)n([C@@H]2CCN3[C@H](c4ccccc4)CCC[C@@H]3C2)c2ccccc21 | 10.1016/j.bmcl.2003.09.068 | |||
| CHEMBL52604 | 193419 | 0 | None | -7 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 375 | 3 | 0 | 4 | 4.8 | CCn1c(=O)n([C@@H]2CCN3[C@H](c4ccccc4)CCC[C@@H]3C2)c2ccccc21 | 10.1016/j.bmcl.2003.09.068 | |||
| 10432317 | 141595 | 0 | None | 1 | 3 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 421 | 4 | 1 | 7 | 1.6 | CCC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314 | 10.1016/j.bmcl.2006.05.060 | |||
| 44414843 | 141595 | 0 | None | 1 | 3 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 421 | 4 | 1 | 7 | 1.6 | CCC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314 | 10.1016/j.bmcl.2006.05.060 | |||
| CHEMBL385048 | 141595 | 0 | None | 1 | 3 | Guinea pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 421 | 4 | 1 | 7 | 1.6 | CCC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314 | 10.1016/j.bmcl.2006.05.060 | |||
| CHEMBL414767 | 213152 | 0 | None | -154 | 2 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm990075h | |||||
| 44253569 | 149200 | 0 | None | 8 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 419 | 4 | 1 | 2 | 5.9 | Cc1c(C2(N3CCCC3)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccc(F)cc12 | nan | |||
| CHEMBL3943962 | 149200 | 0 | None | 8 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 419 | 4 | 1 | 2 | 5.9 | Cc1c(C2(N3CCCC3)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccc(F)cc12 | nan | |||
| 44252534 | 152313 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 350 | 4 | 0 | 2 | 4.4 | CC(=O)N(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| CHEMBL3969636 | 152313 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 350 | 4 | 0 | 2 | 4.4 | CC(=O)N(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| 44336905 | 167925 | 0 | None | 5 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 346 | 5 | 1 | 2 | 4.7 | N[C@@H](c1cccc(F)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL431445 | 167925 | 0 | None | 5 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 346 | 5 | 1 | 2 | 4.7 | N[C@@H](c1cccc(F)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(02)00652-2 | |||
| 44391075 | 123068 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 6 | 2 | 6 | 3.8 | Cc1ccc(Cl)c(OC[C@H](O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL360972 | 123068 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 415 | 6 | 2 | 6 | 3.8 | Cc1ccc(Cl)c(OC[C@H](O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| 57502947 | 128192 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 466 | 3 | 1 | 6 | 2.6 | O=C(C1=C(n2c(=O)c(=O)[nH]c3ccccc32)CCN(C2CCCCCCC2)C1)N1CCOCC1 | nan | |||
| CHEMBL3665438 | 128192 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 466 | 3 | 1 | 6 | 2.6 | O=C(C1=C(n2c(=O)c(=O)[nH]c3ccccc32)CCN(C2CCCCCCC2)C1)N1CCOCC1 | nan | |||
| 90656664 | 110959 | 0 | None | -204 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 499 | 6 | 2 | 5 | 4.7 | CC[C@@](O)(c1ccccc1)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5 | 10.1021/jm401964y | |||
| CHEMBL3262361 | 110959 | 0 | None | -204 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 499 | 6 | 2 | 5 | 4.7 | CC[C@@](O)(c1ccccc1)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5 | 10.1021/jm401964y | |||
| 44337362 | 172460 | 0 | None | 4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 358 | 6 | 1 | 3 | 4.6 | COc1ccc([C@H](N)[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL448155 | 172460 | 0 | None | 4 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 358 | 6 | 1 | 3 | 4.6 | COc1ccc([C@H](N)[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1 | 10.1016/s0960-894x(02)00652-2 | |||
| 44593575 | 178478 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 361 | 3 | 1 | 2 | 5.1 | OC1CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL466438 | 178478 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 361 | 3 | 1 | 2 | 5.1 | OC1CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 97333 | 85955 | 78 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 267 | 3 | 1 | 2 | 3.2 | OC1(c2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL230141 | 85955 | 78 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 267 | 3 | 1 | 2 | 3.2 | OC1(c2ccccc2)CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL413178 | 213051 | 0 | None | - | 1 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | Cc1ccc(C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)cc1 | 10.1021/jm990075h | |||||
| 45271534 | 195254 | 0 | None | 162 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 472 | 6 | 1 | 3 | 6.2 | OCCN1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1021/jm9008218 | |||
| CHEMBL551111 | 195254 | 0 | None | 162 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 472 | 6 | 1 | 3 | 6.2 | OCCN1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1021/jm9008218 | |||
| 45269032 | 196182 | 0 | None | 208 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 428 | 4 | 1 | 2 | 6.5 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@H]1CC(C1CCCCN1)C2 | 10.1021/jm9008218 | |||
| CHEMBL561373 | 196182 | 0 | None | 208 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 428 | 4 | 1 | 2 | 6.5 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@H]1CC(C1CCCCN1)C2 | 10.1021/jm9008218 | |||
| 44413330 | 79930 | 0 | None | 85 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 383 | 2 | 1 | 4 | 4.2 | Cn1cc(C2CCN(C3Cc4cccc5cccc3c45)CC2O)c2cccnc21 | 10.1016/j.bmcl.2006.03.094 | |||
| CHEMBL212525 | 79930 | 0 | None | 85 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 383 | 2 | 1 | 4 | 4.2 | Cn1cc(C2CCN(C3Cc4cccc5cccc3c45)CC2O)c2cccnc21 | 10.1016/j.bmcl.2006.03.094 | |||
| 9844540 | 85717 | 0 | None | 128 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 411 | 4 | 1 | 2 | 6.1 | OC1(c2ccccc2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL228911 | 85717 | 0 | None | 128 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 411 | 4 | 1 | 2 | 6.1 | OC1(c2ccccc2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 9863568 | 142087 | 0 | None | 45 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL388123 | 142087 | 0 | None | 45 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL535844 | 142087 | 0 | None | 45 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL541636 | 142087 | 0 | None | 45 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 44430079 | 86723 | 0 | None | 99 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 497 | 6 | 3 | 3 | 5.5 | CNC(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL231866 | 86723 | 0 | None | 99 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 497 | 6 | 3 | 3 | 5.5 | CNC(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 44574745 | 178600 | 0 | None | 13 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 493 | 5 | 2 | 2 | 6.5 | CNC(=O)NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL467314 | 178600 | 0 | None | 13 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 493 | 5 | 2 | 2 | 6.5 | CNC(=O)NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 18782378 | 91774 | 0 | None | 46 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 395 | 2 | 1 | 3 | 4.1 | O=C1NCN(c2ccccc2)C12CCN(C1CCCc3c(Cl)cccc31)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL241086 | 91774 | 0 | None | 46 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 395 | 2 | 1 | 3 | 4.1 | O=C1NCN(c2ccccc2)C12CCN(C1CCCc3c(Cl)cccc31)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 9848110 | 170644 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 4.4 | Cc1ccc2nc(/C=C/c3ccccn3)nc(N[C@H]3CC[C@@H](N)C[C@H]3C)c2c1 | 10.1016/j.ejmech.2018.12.012 | |||
| CHEMBL4451306 | 170644 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 373 | 4 | 2 | 5 | 4.4 | Cc1ccc2nc(/C=C/c3ccccn3)nc(N[C@H]3CC[C@@H](N)C[C@H]3C)c2c1 | 10.1016/j.ejmech.2018.12.012 | |||
| 44437602 | 90652 | 0 | None | 14 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 11 | 0 | 7 | 4.9 | COCCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL239043 | 90652 | 0 | None | 14 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 11 | 0 | 7 | 4.9 | COCCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| 44437638 | 91228 | 0 | None | 22 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 494 | 11 | 1 | 7 | 4.5 | CNCCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL240084 | 91228 | 0 | None | 22 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 494 | 11 | 1 | 7 | 4.5 | CNCCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| 44437656 | 145713 | 0 | None | 7 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 522 | 10 | 1 | 6 | 3.7 | CNC(=O)CN1CN(c2ccccc2)C2(CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)C1=O | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL391631 | 145713 | 0 | None | 7 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 522 | 10 | 1 | 6 | 3.7 | CNC(=O)CN1CN(c2ccccc2)C2(CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)C1=O | 10.1016/j.bmc.2006.11.030 | |||
| 44437654 | 145733 | 0 | None | 16 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 451 | 8 | 1 | 5 | 4.2 | COc1ccc(C)c(OC(CCN2CCC3(CC2)C(=O)NCN3c2ccccc2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL391650 | 145733 | 0 | None | 16 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 451 | 8 | 1 | 5 | 4.2 | COc1ccc(C)c(OC(CCN2CCC3(CC2)C(=O)NCN3c2ccccc2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| 10225083 | 166394 | 0 | None | 8 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 437 | 8 | 1 | 5 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL427683 | 166394 | 0 | None | 8 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 437 | 8 | 1 | 5 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| 118711486 | 113988 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 362 | 6 | 1 | 2 | 5.1 | CN(C)[C@]1(c2ccccc2)CC[C@@H](OCCc2c[nH]c3ccccc23)CC1 | 10.1021/ml500116x | |||
| CHEMBL3326225 | 113988 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 362 | 6 | 1 | 2 | 5.1 | CN(C)[C@]1(c2ccccc2)CC[C@@H](OCCc2c[nH]c3ccccc23)CC1 | 10.1021/ml500116x | |||
| 155533462 | 171831 | 0 | None | 15 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.8 | CCn1c(=O)n([C@@H]2CCN(C3CCCCCCC3)C[C@H]2CO)c2ccccc21 | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL4468676 | 171831 | 0 | None | 15 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.8 | CCn1c(=O)n([C@@H]2CCN(C3CCCCCCC3)C[C@H]2CO)c2ccccc21 | 10.1021/acs.jmedchem.5b01499 | |||
| 12985907 | 57557 | 0 | None | 3 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 355 | 4 | 1 | 3 | 3.8 | CCC[C@H]1CC[C@@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 | 10.1016/s0960-894x(00)00111-6 | |||
| CHEMBL166445 | 57557 | 0 | None | 3 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 355 | 4 | 1 | 3 | 3.8 | CCC[C@H]1CC[C@@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 | 10.1016/s0960-894x(00)00111-6 | |||
| 60154189 | 77595 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 388 | 5 | 0 | 6 | 2.2 | CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc12)Cn1cccn1 | 10.1021/jm201629q | |||
| CHEMBL2088038 | 77595 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 388 | 5 | 0 | 6 | 2.2 | CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc12)Cn1cccn1 | 10.1021/jm201629q | |||
| CHEMBL2088039 | 77595 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 388 | 5 | 0 | 6 | 2.2 | CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc12)Cn1cccn1 | 10.1021/jm201629q | |||
| 11123873 | 78631 | 0 | None | 70 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 494 | 6 | 0 | 5 | 4.4 | CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(CCN4CCOCC4)C[C@@H]2CN3c2ccccc2)CC1 | 10.1021/jm0209174 | |||
| CHEMBL2112341 | 78631 | 0 | None | 70 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 494 | 6 | 0 | 5 | 4.4 | CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(CCN4CCOCC4)C[C@@H]2CN3c2ccccc2)CC1 | 10.1021/jm0209174 | |||
| 9947044 | 98269 | 0 | None | 15 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 361 | 2 | 1 | 3 | 3.5 | O=C1NCN(c2ccccc2)C12CCN(C1CCCc3ccccc31)CC2 | 10.1021/jm991129q | |||
| CHEMBL27460 | 98269 | 0 | None | 15 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 361 | 2 | 1 | 3 | 3.5 | O=C1NCN(c2ccccc2)C12CCN(C1CCCc3ccccc31)CC2 | 10.1021/jm991129q | |||
| 25190610 | 179799 | 0 | None | 16 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 446 | 5 | 1 | 4 | 4.2 | CNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL474485 | 179799 | 0 | None | 16 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 446 | 5 | 1 | 4 | 4.2 | CNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 25190586 | 180301 | 0 | None | 239 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 536 | 8 | 1 | 4 | 5.8 | CCNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL475096 | 180301 | 0 | None | 239 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 536 | 8 | 1 | 4 | 5.8 | CCNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 24800107 | 191859 | 0 | None | 7 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 437 | 3 | 1 | 5 | 5.4 | CC1CN(c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)CC(C)N1 | 10.1021/jm7012979 | |||
| CHEMBL519925 | 191859 | 0 | None | 7 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 437 | 3 | 1 | 5 | 5.4 | CC1CN(c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)CC(C)N1 | 10.1021/jm7012979 | |||
| 90655971 | 111000 | 0 | None | 19 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 386 | 2 | 0 | 2 | 5.0 | O=C1Cc2ccccc2N1C1CCN([C@H]2CC[C@@H]3CCCc4cccc2c43)CC1 | 10.1016/j.bmc.2014.02.047 | |||
| CHEMBL3262542 | 111000 | 0 | None | 19 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 386 | 2 | 0 | 2 | 5.0 | O=C1Cc2ccccc2N1C1CCN([C@H]2CC[C@@H]3CCCc4cccc2c43)CC1 | 10.1016/j.bmc.2014.02.047 | |||
| 11826819 | 78633 | 1 | None | 72 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 471 | 5 | 0 | 3 | 6.3 | CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(Cc4ccccc4)C[C@@H]2CN3c2ccccc2)CC1 | 10.1021/jm0209174 | |||
| CHEMBL2112343 | 78633 | 1 | None | 72 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 471 | 5 | 0 | 3 | 6.3 | CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CN(Cc4ccccc4)C[C@@H]2CN3c2ccccc2)CC1 | 10.1021/jm0209174 | |||
| 25190593 | 189736 | 0 | None | 77 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 564 | 10 | 1 | 4 | 6.6 | CCCCNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL515829 | 189736 | 0 | None | 77 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 564 | 10 | 1 | 4 | 6.6 | CCCCNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 129188454 | 169831 | 0 | None | 25 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 367 | 4 | 1 | 4 | 5.3 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(/C=N/O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| CHEMBL4439811 | 169831 | 0 | None | 25 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 367 | 4 | 1 | 4 | 5.3 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(/C=N/O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| 10937810 | 78634 | 0 | None | 117 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 381 | 3 | 1 | 3 | 4.4 | CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CNC[C@@H]2CN3c2ccccc2)CC1 | 10.1021/jm0209174 | |||
| CHEMBL2112344 | 78634 | 0 | None | 117 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 381 | 3 | 1 | 3 | 4.4 | CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CNC[C@@H]2CN3c2ccccc2)CC1 | 10.1021/jm0209174 | |||
| 9846747 | 119001 | 1 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 417 | 5 | 2 | 4 | 5.6 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1 | 10.1021/jm0002073 | |||
| CHEMBL342580 | 119001 | 1 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 417 | 5 | 2 | 4 | 5.6 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1 | 10.1021/jm0002073 | |||
| CHEMBL405212 | 212548 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N(C)C(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm0202021 | |||||
| 10363496 | 163173 | 0 | None | 15 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 398 | 2 | 2 | 3 | 4.3 | Oc1ccc2c3c1O[C@H]1Cc4c([nH]c5ccccc45)[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 | 10.1021/jm00038a019 | |||
| CHEMBL418105 | 163173 | 0 | None | 15 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 398 | 2 | 2 | 3 | 4.3 | Oc1ccc2c3c1O[C@H]1Cc4c([nH]c5ccccc45)[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 | 10.1021/jm00038a019 | |||
| 44430084 | 86767 | 0 | None | 63 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 523 | 6 | 1 | 4 | 5.8 | CN1CCN(Cc2ccccc2C2(O)CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL232076 | 86767 | 0 | None | 63 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 523 | 6 | 1 | 4 | 5.8 | CN1CCN(Cc2ccccc2C2(O)CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 11516508 | 138997 | 0 | None | 31 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 382 | 2 | 2 | 3 | 4.0 | Oc1ccc(Cl)c2c1CNC(CN1CCC3(CCc4ccccc43)CC1)C2 | 10.1016/j.ejmech.2016.02.014 | |||
| CHEMBL3785560 | 138997 | 0 | None | 31 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 382 | 2 | 2 | 3 | 4.0 | Oc1ccc(Cl)c2c1CNC(CN1CCC3(CCc4ccccc43)CC1)C2 | 10.1016/j.ejmech.2016.02.014 | |||
| 9937777 | 175355 | 0 | None | 114 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 562 | 7 | 0 | 4 | 6.3 | O=C1N(CCN2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL457451 | 175355 | 0 | None | 114 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 562 | 7 | 0 | 4 | 6.3 | O=C1N(CCN2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| 129188462 | 176404 | 0 | None | 190 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 367 | 5 | 1 | 3 | 5.0 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CCN)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| CHEMBL4465668 | 176404 | 0 | None | 190 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 367 | 5 | 1 | 3 | 5.0 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CCN)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| CHEMBL4596017 | 176404 | 0 | None | 190 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 367 | 5 | 1 | 3 | 5.0 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CCN)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| 9825723 | 116676 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 428 | 6 | 2 | 6 | 4.9 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc([N+](=O)[O-])cc3)ccc2n1 | 10.1021/jm0002073 | |||
| CHEMBL337128 | 116676 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 428 | 6 | 2 | 6 | 4.9 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc([N+](=O)[O-])cc3)ccc2n1 | 10.1021/jm0002073 | |||
| 1691 | 2105 | 23 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10.1016/j.bmcl.2003.11.083 | |||
| 5311194 | 2105 | 23 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10.1016/j.bmcl.2003.11.083 | |||
| CHEMBL357076 | 2105 | 23 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10.1016/j.bmcl.2003.11.083 | |||
| 10155966 | 189275 | 0 | None | 40 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 369 | 4 | 1 | 2 | 5.3 | OC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL511920 | 189275 | 0 | None | 40 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 369 | 4 | 1 | 2 | 5.3 | OC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.03.031 | |||
| 25190598 | 91287 | 0 | None | 12 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 389 | 3 | 1 | 3 | 3.9 | O=C1NCN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL240215 | 91287 | 0 | None | 12 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 389 | 3 | 1 | 3 | 3.9 | O=C1NCN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| 10323169 | 179380 | 0 | None | 6 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 486 | 6 | 0 | 4 | 4.7 | O=C1N(CCN2CCCC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL473904 | 179380 | 0 | None | 6 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 486 | 6 | 0 | 4 | 4.7 | O=C1N(CCN2CCCC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| 25190598 | 91287 | 0 | None | 12 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 389 | 3 | 1 | 3 | 3.9 | O=C1NCN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL240215 | 91287 | 0 | None | 12 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 389 | 3 | 1 | 3 | 3.9 | O=C1NCN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 118662456 | 172969 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 365 | 5 | 0 | 3 | 4.8 | CN(C)C1(c2ccccc2)CCC2(CCN(CCC3(C#N)CCC3)C2)CC1 | 10.1021/acsmedchemlett.6b00277 | |||
| CHEMBL4517646 | 172969 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 365 | 5 | 0 | 3 | 4.8 | CN(C)C1(c2ccccc2)CCC2(CCN(CCC3(C#N)CCC3)C2)CC1 | 10.1021/acsmedchemlett.6b00277 | |||
| 46879579 | 6036 | 0 | None | -2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 438 | 4 | 1 | 4 | 4.0 | CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCCCCCCCC3)CC2)C1=O | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1080464 | 6036 | 0 | None | -2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 438 | 4 | 1 | 4 | 4.0 | CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCCCCCCCC3)CC2)C1=O | 10.1016/j.bmcl.2009.09.028 | |||
| 44451619 | 95859 | 0 | None | 32 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 519 | 10 | 0 | 9 | 4.7 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ncon4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL259048 | 95859 | 0 | None | 32 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 519 | 10 | 0 | 9 | 4.7 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ncon4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 44438922 | 91789 | 0 | None | 9 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 363 | 5 | 1 | 3 | 4.0 | CCCC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL241112 | 91789 | 0 | None | 9 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 363 | 5 | 1 | 3 | 4.0 | CCCC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2007.01.069 | |||
| 11544795 | 139014 | 0 | None | 120 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 348 | 2 | 2 | 3 | 3.4 | Oc1cccc2c1CNC(CN1CCC3(CCc4ccccc43)CC1)C2 | 10.1016/j.ejmech.2016.02.014 | |||
| CHEMBL3785718 | 139014 | 0 | None | 120 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 348 | 2 | 2 | 3 | 3.4 | Oc1cccc2c1CNC(CN1CCC3(CCc4ccccc43)CC1)C2 | 10.1016/j.ejmech.2016.02.014 | |||
| 46178991 | 125794 | 0 | None | 1071 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 435 | 3 | 1 | 5 | 4.6 | O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O | nan | |||
| CHEMBL3647958 | 125794 | 0 | None | 1071 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 435 | 3 | 1 | 5 | 4.6 | O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O | nan | |||
| 44253417 | 152685 | 0 | None | 199 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 402 | 6 | 0 | 4 | 4.8 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2ccn(C)n2)CC1 | nan | |||
| CHEMBL3972755 | 152685 | 0 | None | 199 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 402 | 6 | 0 | 4 | 4.8 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)Cc2ccn(C)n2)CC1 | nan | |||
| 10618605 | 98633 | 0 | None | 4 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 361 | 2 | 1 | 3 | 3.5 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCc3ccccc31)CC2 | 10.1021/jm991129q | |||
| CHEMBL27716 | 98633 | 0 | None | 4 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 361 | 2 | 1 | 3 | 3.5 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCc3ccccc31)CC2 | 10.1021/jm991129q | |||
| 10593778 | 99240 | 0 | None | 10 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 347 | 2 | 1 | 3 | 2.6 | O=C1NCN(c2ccccc2)C12CCN(C1Cc3ccccc3C1)CC2 | 10.1021/jm991129q | |||
| CHEMBL28172 | 99240 | 0 | None | 10 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 347 | 2 | 1 | 3 | 2.6 | O=C1NCN(c2ccccc2)C12CCN(C1Cc3ccccc3C1)CC2 | 10.1021/jm991129q | |||
| 44570675 | 183828 | 0 | None | 4 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 325 | 2 | 0 | 3 | 5.2 | CC1(N2CCC(n3cnc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | |||
| CHEMBL480619 | 183828 | 0 | None | 4 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 325 | 2 | 0 | 3 | 5.2 | CC1(N2CCC(n3cnc4ccccc43)CC2)CCCCCCC1 | 10.1021/jm7012979 | |||
| 46879581 | 5898 | 0 | None | 42 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 3.7 | CNC(=O)CN1c2ccccc2N(C2CCN(C3CCCCCCCCC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1079571 | 5898 | 0 | None | 42 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 3.7 | CNC(=O)CN1c2ccccc2N(C2CCN(C3CCCCCCCCC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL412479 | 212993 | 0 | None | - | 1 | Mouse | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O | 10.1021/jm990075h | |||||
| 44451543 | 96429 | 0 | None | 41 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 518 | 10 | 0 | 8 | 5.3 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cocn4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL262064 | 96429 | 0 | None | 41 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 518 | 10 | 0 | 8 | 5.3 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cocn4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 25190587 | 190767 | 0 | None | 181 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 550 | 8 | 1 | 4 | 6.2 | CC(C)NCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL518325 | 190767 | 0 | None | 181 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 550 | 8 | 1 | 4 | 6.2 | CC(C)NCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 10718869 | 33998 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 461 | 5 | 2 | 4 | 5.7 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Br)cc3)ccc2n1 | 10.1021/jm0002073 | |||
| CHEMBL142454 | 33998 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 461 | 5 | 2 | 4 | 5.7 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Br)cc3)ccc2n1 | 10.1021/jm0002073 | |||
| 44438993 | 148429 | 0 | None | 4 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 395 | 2 | 1 | 3 | 4.1 | O=C1NCN(c2ccccc2)C12CCN(C1CCCc3cccc(Cl)c31)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL393781 | 148429 | 0 | None | 4 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 395 | 2 | 1 | 3 | 4.1 | O=C1NCN(c2ccccc2)C12CCN(C1CCCc3cccc(Cl)c31)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 10385808 | 66140 | 0 | None | 33 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 391 | 3 | 1 | 3 | 3.5 | CC(C)C1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL184127 | 66140 | 0 | None | 33 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 391 | 3 | 1 | 3 | 3.5 | CC(C)C1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 44252249 | 149029 | 0 | None | -2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 420 | 6 | 1 | 3 | 4.7 | CN(C)C1(c2ccccc2)CCC(C)(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 | nan | |||
| CHEMBL3942616 | 149029 | 0 | None | -2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 420 | 6 | 1 | 3 | 4.7 | CN(C)C1(c2ccccc2)CCC(C)(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 | nan | |||
| 44574585 | 178626 | 0 | None | 21 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 469 | 4 | 1 | 2 | 7.0 | Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(c2cccc(F)c2)C3)c(Cl)c1 | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL467488 | 178626 | 0 | None | 21 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 469 | 4 | 1 | 2 | 7.0 | Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(c2cccc(F)c2)C3)c(Cl)c1 | 10.1016/j.bmcl.2009.03.031 | |||
| 46880238 | 6047 | 0 | None | 51 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 442 | 5 | 1 | 5 | 3.8 | CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc(C)c4ccccc34)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1080508 | 6047 | 0 | None | 51 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 442 | 5 | 1 | 5 | 3.8 | CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc(C)c4ccccc34)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 25190594 | 175259 | 0 | None | 87 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 564 | 9 | 1 | 4 | 6.5 | CC(C)CNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL457244 | 175259 | 0 | None | 87 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 564 | 9 | 1 | 4 | 6.5 | CC(C)CNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 10574643 | 99588 | 0 | None | 2 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 429 | 2 | 1 | 3 | 4.3 | O=C1NCN(c2ccccc2)C12CCN([C@H]1CCc3c(Cl)ccc(Cl)c3C1)CC2 | 10.1021/jm991129q | |||
| CHEMBL283910 | 99588 | 0 | None | 2 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 429 | 2 | 1 | 3 | 4.3 | O=C1NCN(c2ccccc2)C12CCN([C@H]1CCc3c(Cl)ccc(Cl)c3C1)CC2 | 10.1021/jm991129q | |||
| 11795019 | 98612 | 0 | None | 3 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 395 | 2 | 1 | 3 | 3.6 | O=C1NCN(c2ccccc2)C12CCN(C1CCc3c(Cl)cccc3C1)CC2 | 10.1021/jm991129q | |||
| CHEMBL27699 | 98612 | 0 | None | 3 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 395 | 2 | 1 | 3 | 3.6 | O=C1NCN(c2ccccc2)C12CCN(C1CCc3c(Cl)cccc3C1)CC2 | 10.1021/jm991129q | |||
| 118662291 | 172393 | 0 | None | -1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 320 | 5 | 0 | 3 | 4.6 | CCCCN1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1 | 10.1021/acsmedchemlett.6b00277 | |||
| CHEMBL4476510 | 172393 | 0 | None | -1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 320 | 5 | 0 | 3 | 4.6 | CCCCN1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1 | 10.1021/acsmedchemlett.6b00277 | |||
| 46879538 | 6183 | 0 | None | 4 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 462 | 5 | 1 | 4 | 3.0 | CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1081192 | 6183 | 0 | None | 4 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 462 | 5 | 1 | 4 | 3.0 | CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | |||
| 90655973 | 111003 | 0 | None | -2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 414 | 3 | 0 | 2 | 5.9 | CCC1C(=O)N(C2CCN([C@@H]3CC[C@@H]4CCCc5cccc3c54)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | |||
| CHEMBL3262545 | 111003 | 0 | None | -2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 414 | 3 | 0 | 2 | 5.9 | CCC1C(=O)N(C2CCN([C@@H]3CC[C@@H]4CCCc5cccc3c54)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | |||
| CHEMBL414541 | 213135 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N(C)C(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O | 10.1021/jm0202021 | |||||
| 44253419 | 147261 | 0 | None | 5 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 428 | 7 | 0 | 3 | 6.1 | COc1ccc(CN(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)cc1 | nan | |||
| CHEMBL3928651 | 147261 | 0 | None | 5 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 428 | 7 | 0 | 3 | 6.1 | COc1ccc(CN(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)cc1 | nan | |||
| 44391133 | 65123 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 457 | 8 | 2 | 6 | 4.9 | CCCC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(n2c(O)nc3ccccc32)CC1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL182410 | 65123 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 457 | 8 | 2 | 6 | 4.9 | CCCC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(n2c(O)nc3ccccc32)CC1 | 10.1016/j.bmcl.2004.11.049 | |||
| 118718280 | 115316 | 0 | None | 21 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 509 | 8 | 1 | 4 | 6.7 | CCNC[C@]1(c2cccc(OC)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349264 | 115316 | 0 | None | 21 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 509 | 8 | 1 | 4 | 6.7 | CCNC[C@]1(c2cccc(OC)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 25235412 | 115328 | 0 | None | 38 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 492 | 6 | 1 | 2 | 6.8 | CC(=O)NC[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349276 | 115328 | 0 | None | 38 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 492 | 6 | 1 | 2 | 6.8 | CC(=O)NC[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 118718292 | 115329 | 0 | None | 45 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 508 | 6 | 1 | 3 | 7.0 | COC(=O)NC[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349277 | 115329 | 0 | None | 45 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 508 | 6 | 1 | 3 | 7.0 | COC(=O)NC[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 24894647 | 186567 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 3 | 1 | 4 | 3.2 | Cc1ccccc1N1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 | 10.1021/jm701590h | |||
| CHEMBL487826 | 186567 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 3 | 1 | 4 | 3.2 | Cc1ccccc1N1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 | 10.1021/jm701590h | |||
| 44574791 | 178575 | 0 | None | 30 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 464 | 5 | 1 | 3 | 7.1 | O/N=C/C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL467119 | 178575 | 0 | None | 30 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 464 | 5 | 1 | 3 | 7.1 | O/N=C/C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 25235412 | 103316 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 492 | 6 | 1 | 2 | 6.8 | CC(=O)NC[C@@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084527 | 103316 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 492 | 6 | 1 | 2 | 6.8 | CC(=O)NC[C@@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 44437642 | 91751 | 0 | None | 12 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 536 | 11 | 1 | 7 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC(C)C)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL240941 | 91751 | 0 | None | 12 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 536 | 11 | 1 | 7 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC(C)C)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| 44437645 | 91796 | 0 | None | 8 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 552 | 13 | 1 | 8 | 4.0 | COCCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL241157 | 91796 | 0 | None | 8 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 552 | 13 | 1 | 8 | 4.0 | COCCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| 118711486 | 113988 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 362 | 6 | 1 | 2 | 5.1 | CN(C)[C@]1(c2ccccc2)CC[C@@H](OCCc2c[nH]c3ccccc23)CC1 | 10.1021/ml500116x | |||
| CHEMBL3326225 | 113988 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 362 | 6 | 1 | 2 | 5.1 | CN(C)[C@]1(c2ccccc2)CC[C@@H](OCCc2c[nH]c3ccccc23)CC1 | 10.1021/ml500116x | |||
| 10669669 | 35264 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 417 | 5 | 2 | 4 | 5.6 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3cccc(Cl)c3)ccc2n1 | 10.1021/jm0002073 | |||
| CHEMBL143605 | 35264 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 417 | 5 | 2 | 4 | 5.6 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3cccc(Cl)c3)ccc2n1 | 10.1021/jm0002073 | |||
| 22562137 | 90466 | 0 | None | -2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 354 | 3 | 0 | 2 | 4.6 | CC(C)C1CCC(N2CCC(N3C(=O)CCc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2013.03.101 | |||
| CHEMBL2387198 | 90466 | 0 | None | -2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 354 | 3 | 0 | 2 | 4.6 | CC(C)C1CCC(N2CCC(N3C(=O)CCc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2013.03.101 | |||
| 10836379 | 163164 | 0 | None | -2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 429 | 2 | 1 | 3 | 4.3 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCc3c(Cl)ccc(Cl)c3C1)CC2 | 10.1021/jm991129q | |||
| CHEMBL418020 | 163164 | 0 | None | -2 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 429 | 2 | 1 | 3 | 4.3 | O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCc3c(Cl)ccc(Cl)c3C1)CC2 | 10.1021/jm991129q | |||
| 134563704 | 176632 | 0 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 381 | 6 | 1 | 3 | 5.4 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CCCN)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| CHEMBL4451073 | 176632 | 0 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 381 | 6 | 1 | 3 | 5.4 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CCCN)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| CHEMBL4597933 | 176632 | 0 | None | 2 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 381 | 6 | 1 | 3 | 5.4 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CCCN)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| 3655995 | 108743 | 6 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 306 | 3 | 0 | 2 | 3.2 | O=C1Cc2ccccc2N1C1CCN(Cc2ccccc2)CC1 | 10.1021/jm034249d | |||
| CHEMBL320874 | 108743 | 6 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 306 | 3 | 0 | 2 | 3.2 | O=C1Cc2ccccc2N1C1CCN(Cc2ccccc2)CC1 | 10.1021/jm034249d | |||
| 3655995 | 108743 | 6 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 306 | 3 | 0 | 2 | 3.2 | O=C1Cc2ccccc2N1C1CCN(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.5b00982 | |||
| CHEMBL320874 | 108743 | 6 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 306 | 3 | 0 | 2 | 3.2 | O=C1Cc2ccccc2N1C1CCN(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.5b00982 | |||
| 3655995 | 108743 | 6 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 306 | 3 | 0 | 2 | 3.2 | O=C1Cc2ccccc2N1C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2013.03.101 | |||
| CHEMBL320874 | 108743 | 6 | None | -2 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 306 | 3 | 0 | 2 | 3.2 | O=C1Cc2ccccc2N1C1CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2013.03.101 | |||
| 46179069 | 125795 | 0 | None | 117 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 421 | 3 | 1 | 5 | 4.2 | O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O | nan | |||
| CHEMBL3647959 | 125795 | 0 | None | 117 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 421 | 3 | 1 | 5 | 4.2 | O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O | nan | |||
| 25190579 | 189631 | 0 | None | 3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 437 | 6 | 0 | 3 | 5.1 | C=CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL514965 | 189631 | 0 | None | 3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 437 | 6 | 0 | 3 | 5.1 | C=CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 66911347 | 113888 | 0 | None | -4 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 295 | 3 | 1 | 2 | 3.9 | CN(C)[C@]1(c2ccccc2)CC[C@@](O)(c2ccccc2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3325745 | 113888 | 0 | None | -4 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 295 | 3 | 1 | 2 | 3.9 | CN(C)[C@]1(c2ccccc2)CC[C@@](O)(c2ccccc2)CC1 | 10.1021/ml500116x | |||
| 44253421 | 151354 | 0 | None | -7 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 393 | 4 | 1 | 2 | 5.4 | Cc1c(C2(N(C)C)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccc(F)cc12 | nan | |||
| CHEMBL3961206 | 151354 | 0 | None | -7 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 393 | 4 | 1 | 2 | 5.4 | Cc1c(C2(N(C)C)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccc(F)cc12 | nan | |||
| 44252839 | 146977 | 0 | None | 3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 338 | 5 | 1 | 3 | 4.1 | CNC1(c2ccccc2)CCC(c2ccc(OC)cc2)(N(C)C)CC1 | nan | |||
| CHEMBL3926333 | 146977 | 0 | None | 3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 338 | 5 | 1 | 3 | 4.1 | CNC1(c2ccccc2)CCC(c2ccc(OC)cc2)(N(C)C)CC1 | nan | |||
| 44253565 | 142410 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 430 | 5 | 0 | 2 | 5.8 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)c2cccc(F)c2)CC1 | nan | |||
| CHEMBL3889835 | 142410 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 430 | 5 | 0 | 2 | 5.8 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)c2cccc(F)c2)CC1 | nan | |||
| 24776398 | 97893 | 0 | None | 8 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 368 | 1 | 0 | 2 | 4.6 | CN1Cc2ccccc2C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O | 10.1021/jm7009606 | |||
| CHEMBL272390 | 97893 | 0 | None | 8 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 368 | 1 | 0 | 2 | 4.6 | CN1Cc2ccccc2C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O | 10.1021/jm7009606 | |||
| 44426842 | 143254 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 499 | 4 | 1 | 2 | 6.3 | OC1(c2ccccc2)CCN(C(c2ccccc2Br)c2ccccc2Br)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL389666 | 143254 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 499 | 4 | 1 | 2 | 6.3 | OC1(c2ccccc2)CCN(C(c2ccccc2Br)c2ccccc2Br)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 24894533 | 186306 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 370 | 3 | 2 | 4 | 3.0 | Cc1cc(F)ccc1[C@H]1CCN(C[C@@H]2Cc3cccnc3[C@@H](O)C2)C[C@@H]1O | 10.1021/jm701590h | |||
| CHEMBL487457 | 186306 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 370 | 3 | 2 | 4 | 3.0 | Cc1cc(F)ccc1[C@H]1CCN(C[C@@H]2Cc3cccnc3[C@@H](O)C2)C[C@@H]1O | 10.1021/jm701590h | |||
| 46879536 | 6355 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 426 | 5 | 1 | 3 | 3.9 | CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)C1=O | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1082092 | 6355 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 426 | 5 | 1 | 3 | 3.9 | CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)C1=O | 10.1016/j.bmcl.2009.09.028 | |||
| 44451518 | 159911 | 0 | None | 6 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 532 | 10 | 0 | 8 | 5.6 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cc(C)on4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL410706 | 159911 | 0 | None | 6 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 532 | 10 | 0 | 8 | 5.6 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cc(C)on4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 44253416 | 149106 | 0 | None | 11 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 631 | 11 | 0 | 9 | 7.8 | COc1ccc(Oc2nc(Oc3ccc(OC)cc3)nc(N(C)C3(c4ccccc4)CCC(c4ccccc4)(N(C)C)CC3)n2)cc1 | nan | |||
| CHEMBL3943194 | 149106 | 0 | None | 11 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 631 | 11 | 0 | 9 | 7.8 | COc1ccc(Oc2nc(Oc3ccc(OC)cc3)nc(N(C)C3(c4ccccc4)CCC(c4ccccc4)(N(C)C)CC3)n2)cc1 | nan | |||
| 118718293 | 115330 | 0 | None | 12 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 506 | 6 | 0 | 2 | 7.1 | CC(=O)N(C)C[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349278 | 115330 | 0 | None | 12 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 506 | 6 | 0 | 2 | 7.1 | CC(=O)N(C)C[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 9848990 | 189163 | 1 | None | -812 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 4 | 2 | 5 | 4.4 | CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm401964y | |||
| CHEMBL2368861 | 189163 | 1 | None | -812 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 4 | 2 | 5 | 4.4 | CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm401964y | |||
| CHEMBL511142 | 189163 | 1 | None | -812 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 4 | 2 | 5 | 4.4 | CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm401964y | |||
| nan | 189163 | 1 | None | -812 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 4 | 2 | 5 | 4.4 | CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm401964y | |||
| 9848990 | 189163 | 1 | None | -812 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 4 | 2 | 5 | 4.4 | CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| CHEMBL2368861 | 189163 | 1 | None | -812 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 4 | 2 | 5 | 4.4 | CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| CHEMBL511142 | 189163 | 1 | None | -812 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 4 | 2 | 5 | 4.4 | CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| nan | 189163 | 1 | None | -812 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 4 | 2 | 5 | 4.4 | CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| 71624267 | 90458 | 0 | None | 2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 312 | 3 | 0 | 2 | 3.6 | O=C1Cc2ccccc2N1C1CCN(CC2CCCCC2)CC1 | 10.1016/j.bmcl.2013.03.101 | |||
| CHEMBL2387190 | 90458 | 0 | None | 2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 312 | 3 | 0 | 2 | 3.6 | O=C1Cc2ccccc2N1C1CCN(CC2CCCCC2)CC1 | 10.1016/j.bmcl.2013.03.101 | |||
| 44366689 | 120974 | 0 | None | -1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 903 | 22 | 10 | 10 | -0.7 | CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1S[C@H]2CCC[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)NC(Cc3ccc(Cl)cc3)C(N)=O)N2C1=O | 10.1021/jm020078l | |||
| CHEMBL356210 | 120974 | 0 | None | -1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 903 | 22 | 10 | 10 | -0.7 | CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1S[C@H]2CCC[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)NC(Cc3ccc(Cl)cc3)C(N)=O)N2C1=O | 10.1021/jm020078l | |||
| 44426822 | 136998 | 0 | None | 27 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 344 | 4 | 1 | 3 | 4.2 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccn2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL374602 | 136998 | 0 | None | 27 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 344 | 4 | 1 | 3 | 4.2 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccn2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 131534 | 164653 | 23 | None | -19498 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 544 | 7 | 1 | 3 | 6.1 | CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2004.08.032 | |||
| CHEMBL421665 | 164653 | 23 | None | -19498 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 544 | 7 | 1 | 3 | 6.1 | CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2004.08.032 | |||
| 46879627 | 6285 | 0 | None | -4 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 385 | 3 | 1 | 4 | 3.4 | CNC(=O)CN1C(=O)OC2(CCN(C3CCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1081741 | 6285 | 0 | None | -4 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 385 | 3 | 1 | 4 | 3.4 | CNC(=O)CN1C(=O)OC2(CCN(C3CCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 134563500 | 176062 | 0 | None | 6 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 436 | 5 | 1 | 4 | 5.4 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN4CCC(N)CC4)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| CHEMBL4590786 | 176062 | 0 | None | 6 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 436 | 5 | 1 | 4 | 5.4 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN4CCC(N)CC4)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| 118662169 | 173869 | 0 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 3 | 0 | 2 | 3.3 | CC(=O)N1CCC2(CCC(Cc3ccccc3)(N(C)C)CC2)C1 | 10.1021/acsmedchemlett.6b00277 | |||
| CHEMBL4539568 | 173869 | 0 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 3 | 0 | 2 | 3.3 | CC(=O)N1CCC2(CCC(Cc3ccccc3)(N(C)C)CC2)C1 | 10.1021/acsmedchemlett.6b00277 | |||
| 44430028 | 86679 | 0 | None | -1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 357 | 5 | 1 | 2 | 4.8 | OC1(Cc2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL231661 | 86679 | 0 | None | -1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 357 | 5 | 1 | 2 | 4.8 | OC1(Cc2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 44391069 | 63899 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 452 | 8 | 1 | 7 | 5.1 | Cc1ccc([N+](=O)[O-])cc1OC(CCN1CCC(n2c(O)nc3ccccc32)CC1)C(C)C | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL180499 | 63899 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 452 | 8 | 1 | 7 | 5.1 | Cc1ccc([N+](=O)[O-])cc1OC(CCN1CCC(n2c(O)nc3ccccc32)CC1)C(C)C | 10.1016/j.bmcl.2004.11.049 | |||
| 10500922 | 97611 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 395 | 2 | 1 | 3 | 3.6 | O=C1NCN(c2ccccc2)C12CCN(C1CCc3cc(Cl)ccc3C1)CC2 | 10.1021/jm991129q | |||
| CHEMBL27093 | 97611 | 0 | None | -2 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 395 | 2 | 1 | 3 | 3.6 | O=C1NCN(c2ccccc2)C12CCN(C1CCc3cc(Cl)ccc3C1)CC2 | 10.1021/jm991129q | |||
| 60154191 | 77597 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 432 | 5 | 0 | 4 | 4.2 | CN(C)C(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1ccsc12 | 10.1021/jm201629q | |||
| CHEMBL2088041 | 77597 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 432 | 5 | 0 | 4 | 4.2 | CN(C)C(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1ccsc12 | 10.1021/jm201629q | |||
| CHEMBL2088042 | 77597 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 432 | 5 | 0 | 4 | 4.2 | CN(C)C(=O)C(Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1ccsc12 | 10.1021/jm201629q | |||
| 71454460 | 78674 | 0 | None | 5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 324 | 3 | 0 | 2 | 3.5 | O=C1Cc2ccccc2N1C1CCN(C[C@H]2CC3CCC2C3)CC1 | 10.1021/jm034249d | |||
| CHEMBL2112407 | 78674 | 0 | None | 5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 324 | 3 | 0 | 2 | 3.5 | O=C1Cc2ccccc2N1C1CCN(C[C@H]2CC3CCC2C3)CC1 | 10.1021/jm034249d | |||
| 44248790 | 103384 | 0 | None | 40 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 500 | 4 | 0 | 2 | 7.7 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccc(Br)cn1)C2 | 10.1021/jm9008218 | |||
| CHEMBL3084656 | 103384 | 0 | None | 40 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 500 | 4 | 0 | 2 | 7.7 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccc(Br)cn1)C2 | 10.1021/jm9008218 | |||
| 44574850 | 189349 | 0 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 494 | 6 | 1 | 3 | 6.1 | COc1ccc(C2(C(N)=O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccccc2Cl)cc1 | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL512612 | 189349 | 0 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 494 | 6 | 1 | 3 | 6.1 | COc1ccc(C2(C(N)=O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccccc2Cl)cc1 | 10.1016/j.bmcl.2009.03.031 | |||
| 76316936 | 103322 | 0 | None | 6 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.5 | COc1ccc([C@]2(C(N)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1 | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084533 | 103322 | 0 | None | 6 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.5 | COc1ccc([C@]2(C(N)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1 | 10.1016/j.bmcl.2009.03.057 | |||
| 54756990 | 65702 | 0 | None | -10 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 543 | 7 | 2 | 5 | 5.7 | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | |||
| CHEMBL1834411 | 65702 | 0 | None | -10 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 543 | 7 | 2 | 5 | 5.7 | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | |||
| 46879668 | 5966 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 456 | 5 | 1 | 3 | 4.3 | CNC(=O)CN1Cc2ccccc2N(C2CCN(Cc3ccc(C)c4ccccc34)CC2)C1=O | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1079941 | 5966 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 456 | 5 | 1 | 3 | 4.3 | CNC(=O)CN1Cc2ccccc2N(C2CCN(Cc3ccc(C)c4ccccc34)CC2)C1=O | 10.1016/j.bmcl.2009.09.028 | |||
| 44437613 | 146889 | 0 | None | 8 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 522 | 10 | 0 | 7 | 4.3 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)N(C)C)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL392548 | 146889 | 0 | None | 8 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 522 | 10 | 0 | 7 | 4.3 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)N(C)C)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| 25134076 | 128176 | 0 | None | 36 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 369 | 3 | 1 | 4 | 3.5 | CC(C)C1CCC(N2CCC(n3c(=O)c(=O)[nH]c4ccccc43)CC2)CC1 | nan | |||
| CHEMBL3665422 | 128176 | 0 | None | 36 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 369 | 3 | 1 | 4 | 3.5 | CC(C)C1CCC(N2CCC(n3c(=O)c(=O)[nH]c4ccccc43)CC2)CC1 | nan | |||
| 44339374 | 110595 | 0 | None | -56 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.9 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.08.032 | |||
| CHEMBL325536 | 110595 | 0 | None | -56 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.9 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.08.032 | |||
| 44426831 | 85697 | 0 | None | 5 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 411 | 4 | 1 | 2 | 5.8 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL228795 | 85697 | 0 | None | 5 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 411 | 4 | 1 | 2 | 5.8 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 10137134 | 91704 | 0 | None | 7 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 423 | 2 | 1 | 3 | 4.3 | O=C1NCN(c2ccccc2)C12CCN(C1c3ccccc3CCc3ccccc31)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL240870 | 91704 | 0 | None | 7 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 423 | 2 | 1 | 3 | 4.3 | O=C1NCN(c2ccccc2)C12CCN(C1c3ccccc3CCc3ccccc31)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 10110916 | 66260 | 0 | None | 24 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 389 | 2 | 1 | 3 | 4.0 | O=S1(=O)Nc2ccccc2N1C1CCN(C2CCC3CCCCC3C2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL184646 | 66260 | 0 | None | 24 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 389 | 2 | 1 | 3 | 4.0 | O=S1(=O)Nc2ccccc2N1C1CCN(C2CCC3CCCCC3C2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 44402566 | 166279 | 0 | None | -23 | 3 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 478 | 3 | 0 | 5 | 6.5 | CN(C)c1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1 | 10.1016/j.bmcl.2005.03.076 | |||
| CHEMBL427007 | 166279 | 0 | None | -23 | 3 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 478 | 3 | 0 | 5 | 6.5 | CN(C)c1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1 | 10.1016/j.bmcl.2005.03.076 | |||
| 46879628 | 5870 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 396 | 4 | 1 | 4 | 2.8 | CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCCCCC3)CC2)C1=O | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1079416 | 5870 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 396 | 4 | 1 | 4 | 2.8 | CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCCCCC3)CC2)C1=O | 10.1016/j.bmcl.2009.09.028 | |||
| 46879993 | 6219 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 370 | 4 | 1 | 5 | 2.5 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1081375 | 6219 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 370 | 4 | 1 | 5 | 2.5 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 57502905 | 128180 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 387 | 2 | 1 | 3 | 4.1 | O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2cccc(F)c2N1 | nan | |||
| CHEMBL3665426 | 128180 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 387 | 2 | 1 | 3 | 4.1 | O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2cccc(F)c2N1 | nan | |||
| 9947155 | 66305 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 363 | 2 | 1 | 3 | 3.7 | O=S1(=O)Nc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL184864 | 66305 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 363 | 2 | 1 | 3 | 3.7 | O=S1(=O)Nc2ccccc2N1C1CCN(C2CCCCCCC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 44248915 | 103390 | 0 | None | 25 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 468 | 5 | 0 | 3 | 7.6 | CSc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1 | 10.1021/jm9008218 | |||
| CHEMBL3084666 | 103390 | 0 | None | 25 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 468 | 5 | 0 | 3 | 7.6 | CSc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1 | 10.1021/jm9008218 | |||
| 24776408 | 157401 | 0 | None | 173 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 358 | 2 | 1 | 2 | 4.0 | CC(C)C1CCC(N2CCC3(CC2)C(=O)NCc2cc(F)ccc23)CC1 | 10.1021/jm7009606 | |||
| CHEMBL407846 | 157401 | 0 | None | 173 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 358 | 2 | 1 | 2 | 4.0 | CC(C)C1CCC(N2CCC3(CC2)C(=O)NCc2cc(F)ccc23)CC1 | 10.1021/jm7009606 | |||
| 9863568 | 142087 | 0 | None | 45 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL388123 | 142087 | 0 | None | 45 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL535844 | 142087 | 0 | None | 45 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL541636 | 142087 | 0 | None | 45 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 44430008 | 150995 | 0 | None | 30 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 361 | 4 | 1 | 2 | 4.9 | OC1(c2cccc(F)c2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL395838 | 150995 | 0 | None | 30 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 361 | 4 | 1 | 2 | 4.9 | OC1(c2cccc(F)c2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 22970051 | 153259 | 0 | None | 11 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 323 | 6 | 1 | 2 | 4.8 | CCCCC1(O)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL397761 | 153259 | 0 | None | 11 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 323 | 6 | 1 | 2 | 4.8 | CCCCC1(O)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 15541261 | 91574 | 0 | None | 6 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 397 | 4 | 1 | 3 | 4.2 | O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL240657 | 91574 | 0 | None | 6 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 397 | 4 | 1 | 3 | 4.2 | O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| 15541261 | 91574 | 0 | None | 6 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 397 | 4 | 1 | 3 | 4.2 | O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL240657 | 91574 | 0 | None | 6 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 397 | 4 | 1 | 3 | 4.2 | O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 44437652 | 90625 | 0 | None | 4 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 548 | 11 | 1 | 7 | 4.9 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC4CCC4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL238819 | 90625 | 0 | None | 4 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 548 | 11 | 1 | 7 | 4.9 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC4CCC4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| 155542684 | 173147 | 0 | None | 41 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 466 | 10 | 2 | 4 | 5.6 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CNC(=O)CCCCCN)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| CHEMBL4521436 | 173147 | 0 | None | 41 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 466 | 10 | 2 | 4 | 5.6 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CNC(=O)CCCCCN)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| 134563496 | 174551 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 409 | 5 | 1 | 4 | 4.7 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN4CC(O)C4)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| CHEMBL4556227 | 174551 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 409 | 5 | 1 | 4 | 4.7 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN4CC(O)C4)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| 68632578 | 148431 | 0 | None | 8 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 393 | 6 | 0 | 3 | 3.9 | CN(C)C(=O)CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| CHEMBL3937815 | 148431 | 0 | None | 8 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 393 | 6 | 0 | 3 | 3.9 | CN(C)C(=O)CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| 44394283 | 66161 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 391 | 4 | 1 | 3 | 3.7 | CCCC1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL184260 | 66161 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 391 | 4 | 1 | 3 | 3.7 | CCCC1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 44339500 | 7465 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.0 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(Cc2ccc(F)cc2)CC1 | 10.1016/s0960-894x(03)00665-6 | |||
| CHEMBL108695 | 7465 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.0 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(Cc2ccc(F)cc2)CC1 | 10.1016/s0960-894x(03)00665-6 | |||
| 25190578 | 180002 | 0 | None | 5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 435 | 5 | 0 | 3 | 4.6 | C#CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL474708 | 180002 | 0 | None | 5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 435 | 5 | 0 | 3 | 4.6 | C#CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 69016300 | 153836 | 0 | None | -3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 416 | 5 | 0 | 4 | 4.4 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)c2ccn(C)n2)CC1 | nan | |||
| CHEMBL3982651 | 153836 | 0 | None | -3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 416 | 5 | 0 | 4 | 4.4 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)c2ccn(C)n2)CC1 | nan | |||
| 10194236 | 107263 | 0 | None | 28 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 396 | 5 | 1 | 2 | 5.6 | N[C@@H](c1cccc(C(F)(F)F)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL316961 | 107263 | 0 | None | 28 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 396 | 5 | 1 | 2 | 5.6 | N[C@@H](c1cccc(C(F)(F)F)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(02)00652-2 | |||
| 56668405 | 65705 | 0 | None | -35 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 545 | 4 | 2 | 5 | 5.2 | CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c(Br)cc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | |||
| CHEMBL1834414 | 65705 | 0 | None | -35 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 545 | 4 | 2 | 5 | 5.2 | CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c(Br)cc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | |||
| 44391103 | 65569 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 461 | 7 | 1 | 5 | 5.9 | CC(C)C(CCN1CCC(n2c(O)nc3ccccc32)CC1)Oc1ccccc1C(F)(F)F | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL183135 | 65569 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 461 | 7 | 1 | 5 | 5.9 | CC(C)C(CCN1CCC(n2c(O)nc3ccccc32)CC1)Oc1ccccc1C(F)(F)F | 10.1016/j.bmcl.2004.11.049 | |||
| 10070040 | 99288 | 4 | None | -169 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 408 | 7 | 0 | 4 | 3.9 | CCC(=O)N(c1ccccc1)[C@@]1(C(=O)OC)CCN(CCc2ccccc2)C[C@H]1C | 10.1021/jm991129q | |||
| CHEMBL28198 | 99288 | 4 | None | -169 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 408 | 7 | 0 | 4 | 3.9 | CCC(=O)N(c1ccccc1)[C@@]1(C(=O)OC)CCN(CCc2ccccc2)C[C@H]1C | 10.1021/jm991129q | |||
| 44248792 | 103383 | 0 | None | 9 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 438 | 4 | 1 | 3 | 6.6 | Oc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1 | 10.1021/jm9008218 | |||
| CHEMBL3084655 | 103383 | 0 | None | 9 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 438 | 4 | 1 | 3 | 6.6 | Oc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1 | 10.1021/jm9008218 | |||
| 10091033 | 147123 | 0 | None | 38 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 377 | 4 | 1 | 2 | 5.4 | OC1(c2ccc(Cl)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL392753 | 147123 | 0 | None | 38 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 377 | 4 | 1 | 2 | 5.4 | OC1(c2ccc(Cl)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 118718272 | 115308 | 0 | None | 53 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 511 | 6 | 1 | 3 | 6.3 | CC(=O)NC[C@]1(c2cccc(F)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349256 | 115308 | 0 | None | 53 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 511 | 6 | 1 | 3 | 6.3 | CC(=O)NC[C@]1(c2cccc(F)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 24894425 | 179127 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 364 | 3 | 1 | 3 | 4.4 | Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(C)(O)C2)CC1 | 10.1021/jm701590h | |||
| CHEMBL471981 | 179127 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 364 | 3 | 1 | 3 | 4.4 | Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(C)(O)C2)CC1 | 10.1021/jm701590h | |||
| 134563698 | 171729 | 0 | None | 3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 426 | 6 | 2 | 3 | 4.9 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CCNC(N)=S)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| CHEMBL4467156 | 171729 | 0 | None | 3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 426 | 6 | 2 | 3 | 4.9 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CCNC(N)=S)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| 122179056 | 121399 | 0 | None | -2454 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 501 | 5 | 2 | 5 | 5.0 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1cccc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| CHEMBL3581752 | 121399 | 0 | None | -2454 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 501 | 5 | 2 | 5 | 5.0 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1cccc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| 118718283 | 115319 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 548 | 7 | 1 | 4 | 7.0 | NC[C@]1(c2ncccc2CN2CCCCC2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349267 | 115319 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 548 | 7 | 1 | 4 | 7.0 | NC[C@]1(c2ncccc2CN2CCCCC2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 44402627 | 71836 | 0 | None | -7 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 504 | 3 | 0 | 5 | 6.2 | O=C1CCN1c1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1 | 10.1016/j.bmcl.2005.03.076 | |||
| CHEMBL196932 | 71836 | 0 | None | -7 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 504 | 3 | 0 | 5 | 6.2 | O=C1CCN1c1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1 | 10.1016/j.bmcl.2005.03.076 | |||
| 44438971 | 91125 | 0 | None | 6 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 465 | 4 | 1 | 3 | 5.5 | O=C1NCN(c2ccccc2)C12CCN(C(c1cccc(Cl)c1)c1cccc(Cl)c1)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL239819 | 91125 | 0 | None | 6 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 465 | 4 | 1 | 3 | 5.5 | O=C1NCN(c2ccccc2)C12CCN(C(c1cccc(Cl)c1)c1cccc(Cl)c1)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 44391134 | 123311 | 0 | None | 2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 425 | 7 | 1 | 5 | 5.3 | Cc1ccc(F)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL361576 | 123311 | 0 | None | 2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 425 | 7 | 1 | 5 | 5.3 | Cc1ccc(F)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| 44248919 | 103387 | 0 | None | 213 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 440 | 4 | 0 | 2 | 7.0 | Fc1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1 | 10.1021/jm9008218 | |||
| CHEMBL3084661 | 103387 | 0 | None | 213 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 440 | 4 | 0 | 2 | 7.0 | Fc1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1 | 10.1021/jm9008218 | |||
| 24894653 | 189339 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 392 | 3 | 0 | 4 | 4.4 | Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C3(C2)OCCO3)CC1 | 10.1021/jm701590h | |||
| CHEMBL512530 | 189339 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 392 | 3 | 0 | 4 | 4.4 | Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C3(C2)OCCO3)CC1 | 10.1021/jm701590h | |||
| 11781971 | 96639 | 0 | None | 3 | 3 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 313 | 2 | 1 | 3 | 2.7 | O=C1NCN(c2ccccc2)C12CCN(C1CCCCC1)CC2 | 10.1016/s0960-894x(00)00111-6 | |||
| CHEMBL263575 | 96639 | 0 | None | 3 | 3 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 313 | 2 | 1 | 3 | 2.7 | O=C1NCN(c2ccccc2)C12CCN(C1CCCCC1)CC2 | 10.1016/s0960-894x(00)00111-6 | |||
| CHEMBL413516 | 213072 | 0 | None | - | 1 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O | 10.1021/jm990075h | |||||
| 44252539 | 153863 | 0 | None | 52 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 328 | 4 | 0 | 3 | 4.5 | CN(C)C1(c2ccccc2)CCC(c2cccs2)(N(C)C)CC1 | nan | |||
| CHEMBL3982887 | 153863 | 0 | None | 52 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 328 | 4 | 0 | 3 | 4.5 | CN(C)C1(c2ccccc2)CCC(c2cccs2)(N(C)C)CC1 | nan | |||
| 44438975 | 91128 | 0 | None | 5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 433 | 4 | 1 | 3 | 4.5 | O=C1NCN(c2ccccc2)C12CCN(C(c1cccc(F)c1)c1cccc(F)c1)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL239821 | 91128 | 0 | None | 5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 433 | 4 | 1 | 3 | 4.5 | O=C1NCN(c2ccccc2)C12CCN(C(c1cccc(F)c1)c1cccc(F)c1)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL411168 | 212864 | 0 | None | - | 1 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | None | None | None | Cc1ccc(CNCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)cc1 | 10.1021/jm990075h | |||||
| CHEMBL425456 | 213332 | 0 | None | - | 1 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | None | None | None | CC(C)CNCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O | 10.1021/jm990075h | |||||
| CHEMBL438234 | 213756 | 0 | None | - | 1 | Mouse | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNCC1CCCCC1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm990075h | |||||
| 11327115 | 208119 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 402 | 4 | 0 | 2 | 5.8 | CC(c1ccc(C2CCCCC2)cc1)N1CCC(N2C(=O)Cc3ccccc32)CC1 | 10.1021/jm034249d | |||
| CHEMBL97979 | 208119 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 402 | 4 | 0 | 2 | 5.8 | CC(c1ccc(C2CCCCC2)cc1)N1CCC(N2C(=O)Cc3ccccc32)CC1 | 10.1021/jm034249d | |||
| 46880115 | 7516 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 446 | 5 | 1 | 5 | 3.9 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(c4ccccc4)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1087277 | 7516 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 446 | 5 | 1 | 5 | 3.9 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(c4ccccc4)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 44337232 | 108616 | 0 | None | -1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 518 | 5 | 1 | 2 | 6.7 | N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccc(Br)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL320582 | 108616 | 0 | None | -1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 518 | 5 | 1 | 2 | 6.7 | N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccc(Br)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(02)00652-2 | |||
| 46880151 | 7527 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 356 | 5 | 1 | 5 | 2.0 | CNC(=O)Cn1c(=O)n(C2CCN(CC3CCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1087369 | 7527 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 356 | 5 | 1 | 5 | 2.0 | CNC(=O)Cn1c(=O)n(C2CCN(CC3CCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 46880152 | 7528 | 0 | None | 7 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 384 | 5 | 1 | 5 | 2.8 | CNC(=O)Cn1c(=O)n(C2CCN(CC3CCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1087370 | 7528 | 0 | None | 7 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 384 | 5 | 1 | 5 | 2.8 | CNC(=O)Cn1c(=O)n(C2CCN(CC3CCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 44337461 | 108529 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 498 | 5 | 1 | 2 | 7.2 | N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL320061 | 108529 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 498 | 5 | 1 | 2 | 7.2 | N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| 44337229 | 9196 | 0 | None | 60 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 360 | 7 | 1 | 2 | 5.5 | CCCCC(c1cccc(F)c1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL110379 | 9196 | 0 | None | 60 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 360 | 7 | 1 | 2 | 5.5 | CCCCC(c1cccc(F)c1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| 24776403 | 161302 | 0 | None | 70 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 448 | 4 | 0 | 2 | 5.9 | CC(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2cc(F)ccc23)CC1 | 10.1021/jm7009606 | |||
| CHEMBL412290 | 161302 | 0 | None | 70 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 448 | 4 | 0 | 2 | 5.9 | CC(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2cc(F)ccc23)CC1 | 10.1021/jm7009606 | |||
| 44426833 | 144275 | 0 | None | 7 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 377 | 4 | 1 | 2 | 5.4 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL390498 | 144275 | 0 | None | 7 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 377 | 4 | 1 | 2 | 5.4 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 25190584 | 189764 | 0 | None | 27 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 523 | 7 | 0 | 4 | 5.9 | COCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL516024 | 189764 | 0 | None | 27 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 523 | 7 | 0 | 4 | 5.9 | COCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 122179059 | 121402 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 517 | 6 | 2 | 6 | 4.7 | COc1ccc([C@@H](O)[C@@]2(C)C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(O)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)cc1 | 10.1021/acs.jmedchem.5b00130 | |||
| CHEMBL3581755 | 121402 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 517 | 6 | 2 | 6 | 4.7 | COc1ccc([C@@H](O)[C@@]2(C)C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(O)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)cc1 | 10.1021/acs.jmedchem.5b00130 | |||
| 70690757 | 76654 | 0 | None | 19 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 405 | 5 | 0 | 3 | 3.3 | CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(c2ccccc2)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| CHEMBL2064139 | 76654 | 0 | None | 19 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 405 | 5 | 0 | 3 | 3.3 | CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(c2ccccc2)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| 70690758 | 76655 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 423 | 5 | 0 | 3 | 3.4 | CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(c2ccccc2F)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| CHEMBL2064140 | 76655 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 423 | 5 | 0 | 3 | 3.4 | CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(c2ccccc2F)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| 71624269 | 90460 | 0 | None | -11 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 320 | 3 | 0 | 2 | 3.8 | CC(c1ccccc1)N1CCC(N2C(=O)Cc3ccccc32)CC1 | 10.1016/j.bmcl.2013.03.101 | |||
| CHEMBL2387192 | 90460 | 0 | None | -11 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 320 | 3 | 0 | 2 | 3.8 | CC(c1ccccc1)N1CCC(N2C(=O)Cc3ccccc32)CC1 | 10.1016/j.bmcl.2013.03.101 | |||
| 1647 | 1312 | 45 | None | -28 | 9 | Guinea pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.05.060 | |||||
| 5462471 | 1312 | 45 | None | -28 | 9 | Guinea pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.05.060 | |||||
| CHEMBL113995 | 1312 | 45 | None | -28 | 9 | Guinea pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.05.060 | |||||
| CHEMBL38874 | 1312 | 45 | None | -28 | 9 | Guinea pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.05.060 | |||||
| 24800015 | 97667 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 450 | 5 | 1 | 2 | 6.1 | CC(C)(C)C1CCC(N2CCC(C(=O)NCc3ccccc3)(c3ccccc3F)CC2)CC1 | 10.1021/jm7009606 | |||
| CHEMBL271187 | 97667 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 450 | 5 | 1 | 2 | 6.1 | CC(C)(C)C1CCC(N2CCC(C(=O)NCc3ccccc3)(c3ccccc3F)CC2)CC1 | 10.1021/jm7009606 | |||
| 44394345 | 127291 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 397 | 2 | 1 | 3 | 2.9 | O=S1(=O)NCc2ccccc2N1C1CCN(C2CCc3ccccc3C2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL365870 | 127291 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 397 | 2 | 1 | 3 | 2.9 | O=S1(=O)NCc2ccccc2N1C1CCN(C2CCc3ccccc3C2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 21345764 | 79720 | 0 | None | 2 | 3 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 435 | 4 | 1 | 7 | 1.9 | CC(C)C(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314 | 10.1016/j.bmcl.2006.05.060 | |||
| 44414863 | 79720 | 0 | None | 2 | 3 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 435 | 4 | 1 | 7 | 1.9 | CC(C)C(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314 | 10.1016/j.bmcl.2006.05.060 | |||
| CHEMBL211576 | 79720 | 0 | None | 2 | 3 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 435 | 4 | 1 | 7 | 1.9 | CC(C)C(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314 | 10.1016/j.bmcl.2006.05.060 | |||
| 10395965 | 106763 | 0 | None | 3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 899 | 22 | 10 | 9 | -0.6 | CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2CCC[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc3ccc(Cl)cc3)C(N)=O)N2C1=O | 10.1021/jm031034v | |||
| CHEMBL3144469 | 106763 | 0 | None | 3 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 899 | 22 | 10 | 9 | -0.6 | CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2CCC[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc3ccc(Cl)cc3)C(N)=O)N2C1=O | 10.1021/jm031034v | |||
| 44430009 | 168768 | 0 | None | 10 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1cccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)c1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL437380 | 168768 | 0 | None | 10 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1cccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)c1 | 10.1016/j.bmcl.2007.03.062 | |||
| 118718275 | 115311 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 499 | 6 | 2 | 3 | 6.0 | CC(=O)NC[C@]1(C2CCCCN2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349259 | 115311 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 499 | 6 | 2 | 3 | 6.0 | CC(=O)NC[C@]1(C2CCCCN2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 118718286 | 115322 | 0 | None | 28 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 571 | 6 | 1 | 3 | 6.9 | CC(=O)NC[C@]1(c2ccc(Br)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349270 | 115322 | 0 | None | 28 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 571 | 6 | 1 | 3 | 6.9 | CC(=O)NC[C@]1(c2ccc(Br)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 155536757 | 172223 | 0 | None | -5 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 362 | 4 | 0 | 3 | 4.7 | Cc1ccsc1C1(N(C)C)CCC2(CCN(C(=O)CC(C)C)C2)CC1 | 10.1021/acsmedchemlett.6b00277 | |||
| CHEMBL4474067 | 172223 | 0 | None | -5 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 362 | 4 | 0 | 3 | 4.7 | Cc1ccsc1C1(N(C)C)CCC2(CCN(C(=O)CC(C)C)C2)CC1 | 10.1021/acsmedchemlett.6b00277 | |||
| 127043001 | 140364 | 0 | None | -10 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1577 | 43 | 25 | 17 | -1.7 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1=O | 10.1021/acs.jmedchem.5b01976 | |||
| CHEMBL3808398 | 140364 | 0 | None | -10 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1577 | 43 | 25 | 17 | -1.7 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1=O | 10.1021/acs.jmedchem.5b01976 | |||
| 71461579 | 78445 | 0 | None | 4 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 324 | 3 | 0 | 2 | 3.5 | O=C1Cc2ccccc2N1C1CCN(C[C@@H]2CC3CCC2C3)CC1 | 10.1021/jm034249d | |||
| CHEMBL2111608 | 78445 | 0 | None | 4 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 324 | 3 | 0 | 2 | 3.5 | O=C1Cc2ccccc2N1C1CCN(C[C@@H]2CC3CCC2C3)CC1 | 10.1021/jm034249d | |||
| 44248788 | 103385 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 412 | 4 | 0 | 3 | 6.5 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1cnco1)C2 | 10.1021/jm9008218 | |||
| CHEMBL3084657 | 103385 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 412 | 4 | 0 | 3 | 6.5 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1cnco1)C2 | 10.1021/jm9008218 | |||
| 1614 | 2493 | 45 | None | -186 | 6 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.05.060 | |||||
| 443363 | 2493 | 45 | None | -186 | 6 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.05.060 | |||||
| CHEMBL13786 | 2493 | 45 | None | -186 | 6 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.05.060 | |||||
| DB12668 | 2493 | 45 | None | -186 | 6 | Guinea pig | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2006.05.060 | |||||
| 44391081 | 62604 | 0 | None | 5 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 471 | 8 | 2 | 6 | 5.2 | Cc1ccc(Cl)c(OC(CC(C)C)C(O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL178318 | 62604 | 0 | None | 5 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 471 | 8 | 2 | 6 | 5.2 | Cc1ccc(Cl)c(OC(CC(C)C)C(O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| 46879578 | 6035 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 427 | 3 | 1 | 4 | 4.6 | CNC(=O)CN1C(=O)OC2(CCN(C3CCCCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1080463 | 6035 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 427 | 3 | 1 | 4 | 4.6 | CNC(=O)CN1C(=O)OC2(CCN(C3CCCCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 44297435 | 194991 | 0 | None | -12 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 353 | 2 | 1 | 4 | 4.9 | Oc1nc2ccccc2n1[C@@H]1CCN2[C@H](C3CCCCC3)CCC[C@@H]2C1 | 10.1016/j.bmcl.2003.09.068 | |||
| CHEMBL54735 | 194991 | 0 | None | -12 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 353 | 2 | 1 | 4 | 4.9 | Oc1nc2ccccc2n1[C@@H]1CCN2[C@H](C3CCCCC3)CCC[C@@H]2C1 | 10.1016/j.bmcl.2003.09.068 | |||
| 44394324 | 66153 | 0 | None | 3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 403 | 2 | 1 | 3 | 3.7 | O=S1(=O)NCc2ccccc2N1C1CCN(C2CCC3CCCCC3C2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL184234 | 66153 | 0 | None | 3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 403 | 2 | 1 | 3 | 3.7 | O=S1(=O)NCc2ccccc2N1C1CCN(C2CCC3CCCCC3C2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 44451572 | 158731 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 528 | 10 | 0 | 7 | 5.7 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ccncc4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL409351 | 158731 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 528 | 10 | 0 | 7 | 5.7 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ccncc4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 11187225 | 179163 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 350 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 | 10.1021/jm701590h | |||
| CHEMBL472168 | 179163 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 350 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 | 10.1021/jm701590h | |||
| 44391023 | 63879 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 399 | 6 | 1 | 5 | 4.8 | Cc1ccc(Cl)c(OCCCN2CCC(n3c(O)nc4ccccc43)CC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL180402 | 63879 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 399 | 6 | 1 | 5 | 4.8 | Cc1ccc(Cl)c(OCCCN2CCC(n3c(O)nc4ccccc43)CC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| 44574851 | 178484 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 548 | 6 | 1 | 3 | 7.0 | NC(=O)C1(c2ccc(OC(F)(F)F)cc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL466469 | 178484 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 548 | 6 | 1 | 3 | 7.0 | NC(=O)C1(c2ccc(OC(F)(F)F)cc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 70692895 | 76657 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 411 | 5 | 0 | 3 | 3.7 | CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(C2CCCCC2)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| CHEMBL2064143 | 76657 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 411 | 5 | 0 | 3 | 3.7 | CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(C2CCCCC2)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| 44248916 | 103395 | 0 | None | 58 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 436 | 4 | 0 | 2 | 7.2 | Cc1cccnc1[C@@H]1C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1021/jm9008218 | |||
| CHEMBL3084672 | 103395 | 0 | None | 58 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 436 | 4 | 0 | 2 | 7.2 | Cc1cccnc1[C@@H]1C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1021/jm9008218 | |||
| 118718271 | 115307 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 469 | 5 | 1 | 3 | 6.1 | NC[C@]1(c2cccc(F)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349255 | 115307 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 469 | 5 | 1 | 3 | 6.1 | NC[C@]1(c2cccc(F)n2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 76324309 | 103320 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 543 | 5 | 1 | 3 | 6.3 | NC(=O)[C@@]1(c2ccc(Br)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084531 | 103320 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 543 | 5 | 1 | 3 | 6.3 | NC(=O)[C@@]1(c2ccc(Br)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 46880237 | 6046 | 0 | None | 2 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 428 | 5 | 1 | 5 | 3.5 | CNC(=O)Cn1c(=O)n(C2CCN(Cc3cccc4ccccc34)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1080507 | 6046 | 0 | None | 2 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 428 | 5 | 1 | 5 | 3.5 | CNC(=O)Cn1c(=O)n(C2CCN(Cc3cccc4ccccc34)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 44437647 | 90341 | 0 | None | 14 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 584 | 12 | 1 | 7 | 5.6 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NCc4ccccc4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL238600 | 90341 | 0 | None | 14 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 584 | 12 | 1 | 7 | 5.6 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NCc4ccccc4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| 44437641 | 91414 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 550 | 13 | 1 | 7 | 5.2 | CCCCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL240298 | 91414 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 550 | 13 | 1 | 7 | 5.2 | CCCCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| 11393860 | 4448 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 346 | 2 | 0 | 2 | 3.6 | O=C1Cc2ccccc2N1C1CCN(C2CCc3ccccc3C2)CC1 | 10.1021/jm034249d | |||
| CHEMBL101676 | 4448 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 346 | 2 | 0 | 2 | 3.6 | O=C1Cc2ccccc2N1C1CCN(C2CCc3ccccc3C2)CC1 | 10.1021/jm034249d | |||
| 118662117 | 171296 | 0 | None | -7 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 332 | 4 | 0 | 2 | 4.1 | CN(C)C1(C2CCCC2)CCC2(CCN(C(=O)CC3CC3)C2)CC1 | 10.1021/acsmedchemlett.6b00277 | |||
| CHEMBL4460776 | 171296 | 0 | None | -7 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 332 | 4 | 0 | 2 | 4.1 | CN(C)C1(C2CCCC2)CCC2(CCN(C(=O)CC3CC3)C2)CC1 | 10.1021/acsmedchemlett.6b00277 | |||
| 44451696 | 95889 | 0 | None | 3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 533 | 10 | 0 | 9 | 5.0 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4nc(C)no4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL259157 | 95889 | 0 | None | 3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 533 | 10 | 0 | 9 | 5.0 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4nc(C)no4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 11624970 | 139139 | 0 | None | 2 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 374 | 2 | 0 | 2 | 3.9 | CC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc32)CC1 | 10.1016/j.ejmech.2016.02.014 | |||
| CHEMBL3787051 | 139139 | 0 | None | 2 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 374 | 2 | 0 | 2 | 3.9 | CC(=O)N1Cc2ccccc2CC1CN1CCC2(CCc3ccccc32)CC1 | 10.1016/j.ejmech.2016.02.014 | |||
| 16665917 | 79772 | 0 | None | -1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 342 | 3 | 1 | 1 | 5.8 | Fc1ccc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1 | 10.1016/j.bmcl.2006.03.094 | |||
| CHEMBL211846 | 79772 | 0 | None | -1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 342 | 3 | 1 | 1 | 5.8 | Fc1ccc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1 | 10.1016/j.bmcl.2006.03.094 | |||
| 10171862 | 120561 | 0 | None | 2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 309 | 5 | 0 | 2 | 4.6 | CN(C)[C@]1(c2ccccc2)CC[C@H](OCc2ccccc2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3325749 | 120561 | 0 | None | 2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 309 | 5 | 0 | 2 | 4.6 | CN(C)[C@]1(c2ccccc2)CC[C@H](OCc2ccccc2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3545627 | 120561 | 0 | None | 2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 309 | 5 | 0 | 2 | 4.6 | CN(C)[C@]1(c2ccccc2)CC[C@H](OCc2ccccc2)CC1 | 10.1021/ml500116x | |||
| 57502908 | 128186 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 383 | 3 | 0 | 5 | 3.9 | CCn1c(=O)c(=O)n(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 | nan | |||
| CHEMBL3665432 | 128186 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 383 | 3 | 0 | 5 | 3.9 | CCn1c(=O)c(=O)n(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 | nan | |||
| 66911347 | 146816 | 0 | None | -1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 295 | 3 | 1 | 2 | 3.9 | CN(C)C1(c2ccccc2)CCC(O)(c2ccccc2)CC1 | nan | |||
| CHEMBL3924824 | 146816 | 0 | None | -1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 295 | 3 | 1 | 2 | 3.9 | CN(C)C1(c2ccccc2)CCC(O)(c2ccccc2)CC1 | nan | |||
| 44252989 | 146434 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 375 | 5 | 1 | 2 | 5.6 | CN(CC1(C)CCC(c2ccccc2)(N(C)C)CC1)c1c[nH]c2ccccc12 | nan | |||
| CHEMBL3921976 | 146434 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 375 | 5 | 1 | 2 | 5.6 | CN(CC1(C)CCC(c2ccccc2)(N(C)C)CC1)c1c[nH]c2ccccc12 | nan | |||
| 44426816 | 85683 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 311 | 5 | 1 | 3 | 3.4 | COCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL228686 | 85683 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 311 | 5 | 1 | 3 | 3.4 | COCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 46879630 | 5872 | 0 | None | -2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 427 | 3 | 1 | 4 | 4.3 | CNC(=O)CN1C(=O)OC2(CCN(C3CCC(C(C)(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1079418 | 5872 | 0 | None | -2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 427 | 3 | 1 | 4 | 4.3 | CNC(=O)CN1C(=O)OC2(CCN(C3CCC(C(C)(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 44252988 | 146136 | 0 | None | 1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 352 | 5 | 0 | 3 | 4.5 | COc1ccc(C2(N(C)C)CCC(c3ccccc3)(N(C)C)CC2)cc1 | nan | |||
| CHEMBL3919659 | 146136 | 0 | None | 1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 352 | 5 | 0 | 3 | 4.5 | COc1ccc(C2(N(C)C)CCC(c3ccccc3)(N(C)C)CC2)cc1 | nan | |||
| 44593576 | 189203 | 0 | None | 6 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 444 | 4 | 1 | 4 | 6.1 | OC1(c2cncs2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL511373 | 189203 | 0 | None | 6 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 444 | 4 | 1 | 4 | 6.1 | OC1(c2cncs2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 44391124 | 96436 | 0 | None | 19 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 457 | 8 | 1 | 6 | 5.5 | COc1ccc(Cl)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL262104 | 96436 | 0 | None | 19 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 457 | 8 | 1 | 6 | 5.5 | COc1ccc(Cl)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| 45268153 | 196132 | 0 | None | 102 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 467 | 5 | 0 | 3 | 6.7 | N#CCN1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1021/jm9008218 | |||
| CHEMBL561115 | 196132 | 0 | None | 102 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 467 | 5 | 0 | 3 | 6.7 | N#CCN1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1021/jm9008218 | |||
| 44426843 | 85725 | 0 | None | 102 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 403 | 6 | 1 | 4 | 4.8 | COc1ccccc1C(c1ccccc1OC)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL228964 | 85725 | 0 | None | 102 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 403 | 6 | 1 | 4 | 4.8 | COc1ccccc1C(c1ccccc1OC)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 44426827 | 143987 | 0 | None | 48 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1cccc(C(c2ccccc2)N2CCC(O)(c3ccccc3)CC2)c1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL390279 | 143987 | 0 | None | 48 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1cccc(C(c2ccccc2)N2CCC(O)(c3ccccc3)CC2)c1 | 10.1016/j.bmcl.2007.03.061 | |||
| 44574631 | 178507 | 0 | None | 204 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 457 | 4 | 2 | 4 | 5.1 | Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2=NCCCN2)C3)c(Cl)c1 | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL466679 | 178507 | 0 | None | 204 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 457 | 4 | 2 | 4 | 5.1 | Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2=NCCCN2)C3)c(Cl)c1 | 10.1016/j.bmcl.2009.03.031 | |||
| 44574538 | 189204 | 0 | None | 13 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 438 | 4 | 1 | 3 | 6.0 | OC1(c2cccnc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL511374 | 189204 | 0 | None | 13 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 438 | 4 | 1 | 3 | 6.0 | OC1(c2cccnc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 44574708 | 189442 | 0 | None | 40 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 465 | 5 | 1 | 2 | 6.7 | O=C(O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL513471 | 189442 | 0 | None | 40 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 465 | 5 | 1 | 2 | 6.7 | O=C(O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 76324308 | 103315 | 0 | None | 28 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 496 | 6 | 1 | 2 | 6.6 | NC(=O)[C@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084526 | 103315 | 0 | None | 28 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 496 | 6 | 1 | 2 | 6.6 | NC(=O)[C@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 76320666 | 103342 | 0 | None | 63 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 510 | 7 | 1 | 2 | 7.0 | NC(=O)C[C@@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084555 | 103342 | 0 | None | 63 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 510 | 7 | 1 | 2 | 7.0 | NC(=O)C[C@@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 76309740 | 103346 | 0 | None | 23 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 465 | 5 | 1 | 3 | 5.5 | NC(=O)[C@@]1(c2cccnc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084559 | 103346 | 0 | None | 23 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 465 | 5 | 1 | 3 | 5.5 | NC(=O)[C@@]1(c2cccnc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 44437649 | 90624 | 0 | None | 39 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 534 | 11 | 1 | 7 | 4.5 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC4CC4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL238818 | 90624 | 0 | None | 39 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 534 | 11 | 1 | 7 | 4.5 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(=O)NC4CC4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| 44437601 | 90626 | 0 | None | 7 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 481 | 10 | 0 | 7 | 4.9 | COCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL238833 | 90626 | 0 | None | 7 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 481 | 10 | 0 | 7 | 4.9 | COCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| 44437605 | 90886 | 0 | None | 37 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 507 | 11 | 0 | 7 | 5.2 | CCC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL239260 | 90886 | 0 | None | 37 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 507 | 11 | 0 | 7 | 5.2 | CCC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| 44437637 | 91895 | 0 | None | 22 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 529 | 10 | 0 | 8 | 4.3 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CS(C)(=O)=O)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL241357 | 91895 | 0 | None | 22 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 529 | 10 | 0 | 8 | 4.3 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CS(C)(=O)=O)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| 44437606 | 145516 | 0 | None | 45 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 494 | 10 | 1 | 7 | 3.7 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(N)=O)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL391486 | 145516 | 0 | None | 45 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 494 | 10 | 1 | 7 | 3.7 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CC(N)=O)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| 70696991 | 76659 | 0 | None | 22 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 419 | 5 | 0 | 3 | 3.6 | Cc1ccccc1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| CHEMBL2064156 | 76659 | 0 | None | 22 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 419 | 5 | 0 | 3 | 3.6 | Cc1ccccc1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| 24776395 | 97998 | 0 | None | 154 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.2 | CC(C)C1CCC(N2CCC3(CC2)C(=O)N(C)Cc2ccccc23)CC1 | 10.1021/jm7009606 | |||
| CHEMBL272852 | 97998 | 0 | None | 154 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.2 | CC(C)C1CCC(N2CCC3(CC2)C(=O)N(C)Cc2ccccc23)CC1 | 10.1021/jm7009606 | |||
| 127033703 | 139032 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 388 | 3 | 2 | 3 | 4.4 | Cc1cc(F)ccc1C1CCN(CC2Cc3c(Cl)ccc(O)c3CN2)CC1 | 10.1016/j.ejmech.2016.02.014 | |||
| CHEMBL3785952 | 139032 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 388 | 3 | 2 | 3 | 4.4 | Cc1cc(F)ccc1C1CCN(CC2Cc3c(Cl)ccc(O)c3CN2)CC1 | 10.1016/j.ejmech.2016.02.014 | |||
| 86279209 | 111002 | 0 | None | 2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 414 | 3 | 0 | 2 | 5.9 | CCC1C(=O)N(C2CCN([C@H]3CC[C@@H]4CCCc5cccc3c54)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | |||
| CHEMBL3262544 | 111002 | 0 | None | 2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 414 | 3 | 0 | 2 | 5.9 | CCC1C(=O)N(C2CCN([C@H]3CC[C@@H]4CCCc5cccc3c54)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | |||
| 25190596 | 177687 | 0 | None | 19 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 576 | 8 | 0 | 4 | 6.7 | O=C1N(CCCN2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL464191 | 177687 | 0 | None | 19 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 576 | 8 | 0 | 4 | 6.7 | O=C1N(CCCN2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| 44438917 | 155007 | 0 | None | 5 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 3.3 | O=C1NCN(c2ccccc2)C12CCN(Cc1ccccc1Cl)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL401451 | 155007 | 0 | None | 5 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 3.3 | O=C1NCN(c2ccccc2)C12CCN(Cc1ccccc1Cl)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 10837001 | 98649 | 0 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 443 | 2 | 0 | 3 | 4.6 | CN1CN(c2ccccc2)C2(CCN(C3CCc4c(Cl)ccc(Cl)c4C3)CC2)C1=O | 10.1021/jm991129q | |||
| CHEMBL27729 | 98649 | 0 | None | -1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 443 | 2 | 0 | 3 | 4.6 | CN1CN(c2ccccc2)C2(CCN(C3CCc4c(Cl)ccc(Cl)c4C3)CC2)C1=O | 10.1021/jm991129q | |||
| 15411840 | 168637 | 0 | None | 2 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 369 | 2 | 1 | 3 | 4.0 | CC(C)(C)[C@H]1CC[C@@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 | 10.1016/s0960-894x(00)00111-6 | |||
| CHEMBL436243 | 168637 | 0 | None | 2 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 369 | 2 | 1 | 3 | 4.0 | CC(C)(C)[C@H]1CC[C@@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 | 10.1016/s0960-894x(00)00111-6 | |||
| 44451779 | 166699 | 0 | None | 67 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 517 | 10 | 0 | 8 | 5.0 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cn4cccn4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL428253 | 166699 | 0 | None | 67 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 517 | 10 | 0 | 8 | 5.0 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cn4cccn4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 9932834 | 178538 | 0 | None | 6 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 4 | 1 | 2 | 6.6 | OC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL466847 | 178538 | 0 | None | 6 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 4 | 1 | 2 | 6.6 | OC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 90655972 | 111001 | 0 | None | 8 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 386 | 2 | 0 | 2 | 5.0 | O=C1Cc2ccccc2N1C1CCN([C@@H]2CC[C@@H]3CCCc4cccc2c43)CC1 | 10.1016/j.bmc.2014.02.047 | |||
| CHEMBL3262543 | 111001 | 0 | None | 8 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 386 | 2 | 0 | 2 | 5.0 | O=C1Cc2ccccc2N1C1CCN([C@@H]2CC[C@@H]3CCCc4cccc2c43)CC1 | 10.1016/j.bmc.2014.02.047 | |||
| 11152739 | 189243 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 364 | 3 | 1 | 3 | 4.5 | Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1C | 10.1021/jm701590h | |||
| CHEMBL511658 | 189243 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 364 | 3 | 1 | 3 | 4.5 | Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1C | 10.1021/jm701590h | |||
| 25190590 | 176793 | 0 | None | 91 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 536 | 7 | 0 | 4 | 5.8 | CN(C)CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL460636 | 176793 | 0 | None | 91 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 536 | 7 | 0 | 4 | 5.8 | CN(C)CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 44438920 | 147297 | 1 | None | 14 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 335 | 3 | 1 | 3 | 3.2 | CC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL392893 | 147297 | 1 | None | 14 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 335 | 3 | 1 | 3 | 3.2 | CC(c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2007.01.069 | |||
| 46880116 | 7517 | 0 | None | 36 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 424 | 4 | 1 | 5 | 3.5 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCC4CCCCC4C3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1087278 | 7517 | 0 | None | 36 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 424 | 4 | 1 | 5 | 3.5 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCC4CCCCC4C3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 44451517 | 95880 | 0 | None | 15 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 546 | 10 | 0 | 8 | 5.9 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4c(C)noc4C)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL259120 | 95880 | 0 | None | 15 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 546 | 10 | 0 | 8 | 5.9 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4c(C)noc4C)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 127034292 | 139077 | 0 | None | 95 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 338 | 3 | 1 | 2 | 4.0 | Cc1cc(F)ccc1C1CCN(CC2Cc3ccccc3CN2)CC1 | 10.1016/j.ejmech.2016.02.014 | |||
| CHEMBL3786469 | 139077 | 0 | None | 95 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 338 | 3 | 1 | 2 | 4.0 | Cc1cc(F)ccc1C1CCN(CC2Cc3ccccc3CN2)CC1 | 10.1016/j.ejmech.2016.02.014 | |||
| 44574629 | 188838 | 0 | None | 213 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 458 | 4 | 2 | 3 | 4.9 | Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2CCNC2=O)C3)c(Cl)c1 | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL506634 | 188838 | 0 | None | 213 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 458 | 4 | 2 | 3 | 4.9 | Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2CCNC2=O)C3)c(Cl)c1 | 10.1016/j.bmcl.2009.03.031 | |||
| 25190626 | 189170 | 0 | None | 38 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 522 | 7 | 1 | 4 | 5.7 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCc2ccccc2)CN3c2ccccc2)c2ccccc21 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL511162 | 189170 | 0 | None | 38 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 522 | 7 | 1 | 4 | 5.7 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCc2ccccc2)CN3c2ccccc2)c2ccccc21 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL428668 | 213463 | 0 | None | - | 1 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1F)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010221v | |||||
| 44561020 | 179183 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 384 | 3 | 2 | 4 | 3.4 | Cc1cc(F)ccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O | 10.1021/jm701590h | |||
| CHEMBL472304 | 179183 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 384 | 3 | 2 | 4 | 3.4 | Cc1cc(F)ccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1O | 10.1021/jm701590h | |||
| 25190591 | 190077 | 0 | None | 263 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 548 | 8 | 1 | 4 | 6.0 | O=C1N(CCNC2CC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL517265 | 190077 | 0 | None | 263 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 548 | 8 | 1 | 4 | 6.0 | O=C1N(CCNC2CC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| 11956573 | 120567 | 0 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 376 | 2 | 1 | 2 | 5.7 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)SCCc1c3ccccc3[nH]c12 | 10.1021/ml500117c | |||
| CHEMBL3326230 | 120567 | 0 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 376 | 2 | 1 | 2 | 5.7 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)SCCc1c3ccccc3[nH]c12 | 10.1021/ml500117c | |||
| CHEMBL3545633 | 120567 | 0 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 376 | 2 | 1 | 2 | 5.7 | CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)SCCc1c3ccccc3[nH]c12 | 10.1021/ml500117c | |||
| 10385808 | 66140 | 0 | None | 33 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 391 | 3 | 1 | 3 | 3.5 | CC(C)C1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL184127 | 66140 | 0 | None | 33 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 391 | 3 | 1 | 3 | 3.5 | CC(C)C1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 44451837 | 159549 | 0 | None | 57 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 517 | 10 | 1 | 7 | 5.0 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4c[nH]cn4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL410257 | 159549 | 0 | None | 57 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 517 | 10 | 1 | 7 | 5.0 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4c[nH]cn4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 70688697 | 76662 | 0 | None | 36 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 437 | 5 | 0 | 3 | 3.8 | Cc1cc(F)ccc1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| CHEMBL2064159 | 76662 | 0 | None | 36 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 437 | 5 | 0 | 3 | 3.8 | Cc1cc(F)ccc1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| 25190595 | 188352 | 0 | None | 70 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 604 | 9 | 1 | 4 | 7.4 | O=C1N(CCNCC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL501088 | 188352 | 0 | None | 70 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 604 | 9 | 1 | 4 | 7.4 | O=C1N(CCNCC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| 44451542 | 96428 | 0 | None | 21 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 518 | 10 | 0 | 8 | 5.3 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ncco4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL262062 | 96428 | 0 | None | 21 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 518 | 10 | 0 | 8 | 5.3 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ncco4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 44394381 | 66978 | 0 | None | 23 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 448 | 5 | 1 | 4 | 2.7 | CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CC(N)=O)S3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL186822 | 66978 | 0 | None | 23 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 448 | 5 | 1 | 4 | 2.7 | CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CC(N)=O)S3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 10042904 | 163320 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | CC(C)[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 | 10.1021/jm034249d | |||
| CHEMBL418980 | 163320 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | CC(C)[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 | 10.1021/jm034249d | |||
| 10042904 | 90455 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | CC(C)C1CCC(N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2013.03.101 | |||
| CHEMBL2387187 | 90455 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | CC(C)C1CCC(N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2013.03.101 | |||
| CHEMBL429363 | 213524 | 0 | None | - | 1 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm990075h | |||||
| 15512235 | 103521 | 0 | None | 2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 397 | 2 | 1 | 3 | 4.2 | Cc1cccc(N2CNC(=O)C23CCN(C2Cc4cccc5cccc2c45)CC3)c1 | 10.1016/s0960-894x(99)00385-6 | |||
| CHEMBL308522 | 103521 | 0 | None | 2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 397 | 2 | 1 | 3 | 4.2 | Cc1cccc(N2CNC(=O)C23CCN(C2Cc4cccc5cccc2c45)CC3)c1 | 10.1016/s0960-894x(99)00385-6 | |||
| 15512238 | 163362 | 0 | None | 3 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 461 | 2 | 1 | 3 | 4.6 | O=C1NCN(c2cccc(Br)c2)C12CCN(C1Cc3cccc4cccc1c34)CC2 | 10.1016/s0960-894x(99)00385-6 | |||
| CHEMBL419272 | 163362 | 0 | None | 3 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 461 | 2 | 1 | 3 | 4.6 | O=C1NCN(c2cccc(Br)c2)C12CCN(C1Cc3cccc4cccc1c34)CC2 | 10.1016/s0960-894x(99)00385-6 | |||
| 44337379 | 7728 | 0 | None | 60 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 342 | 7 | 1 | 2 | 5.3 | CCCCC(c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL108893 | 7728 | 0 | None | 60 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 342 | 7 | 1 | 2 | 5.3 | CCCCC(c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| 24894430 | 186569 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 336 | 3 | 1 | 3 | 3.9 | O[C@H]1C[C@H](CN2CCC(c3ccccc3)CC2)CCc2cccnc21 | 10.1021/jm701590h | |||
| CHEMBL487827 | 186569 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 336 | 3 | 1 | 3 | 3.9 | O[C@H]1C[C@H](CN2CCC(c3ccccc3)CC2)CCc2cccnc21 | 10.1021/jm701590h | |||
| 44402603 | 133579 | 0 | None | -2 | 3 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.6 | CN(C)C[C@H]1C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1 | 10.1016/j.bmcl.2005.03.076 | |||
| CHEMBL371207 | 133579 | 0 | None | -2 | 3 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.6 | CN(C)C[C@H]1C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2O1 | 10.1016/j.bmcl.2005.03.076 | |||
| 44339540 | 8946 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 369 | 3 | 1 | 2 | 4.8 | OC1(c2ccc(Cl)cc2)CCN(Cc2ccc(C(F)(F)F)cc2)CC1 | 10.1016/s0960-894x(03)00665-6 | |||
| CHEMBL109803 | 8946 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 369 | 3 | 1 | 2 | 4.8 | OC1(c2ccc(Cl)cc2)CCN(Cc2ccc(C(F)(F)F)cc2)CC1 | 10.1016/s0960-894x(03)00665-6 | |||
| 10194236 | 107263 | 0 | None | 28 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 396 | 5 | 1 | 2 | 5.6 | N[C@@H](c1cccc(C(F)(F)F)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL316961 | 107263 | 0 | None | 28 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 396 | 5 | 1 | 2 | 5.6 | N[C@@H](c1cccc(C(F)(F)F)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(02)00652-2 | |||
| 118718296 | 115333 | 0 | None | 67 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.9 | CC(=O)NC[C@]1(c2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349281 | 115333 | 0 | None | 67 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.9 | CC(=O)NC[C@]1(c2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 44574848 | 178576 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 498 | 5 | 1 | 2 | 6.8 | NC(=O)C1(c2ccc(Cl)cc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL467131 | 178576 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 498 | 5 | 1 | 2 | 6.8 | NC(=O)C1(c2ccc(Cl)cc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 76313421 | 103323 | 0 | None | 6 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 480 | 5 | 2 | 4 | 5.1 | NC(=O)[C@@]1(c2ccc(N)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084534 | 103323 | 0 | None | 6 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 480 | 5 | 2 | 4 | 5.1 | NC(=O)[C@@]1(c2ccc(N)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 10158555 | 189103 | 0 | None | 4 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 411 | 4 | 0 | 3 | 4.5 | CN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL510201 | 189103 | 0 | None | 4 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 411 | 4 | 0 | 3 | 4.5 | CN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 45102745 | 6040 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 3.4 | CNC(=O)Cn1c(=O)n(C2CCN([C@H]3CC[C@H](C(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1080484 | 6040 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 412 | 5 | 1 | 5 | 3.4 | CNC(=O)Cn1c(=O)n(C2CCN([C@H]3CC[C@H](C(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 70692894 | 76656 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 473 | 5 | 0 | 3 | 4.3 | CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(c2ccccc2C(F)(F)F)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| CHEMBL2064141 | 76656 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 473 | 5 | 0 | 3 | 4.3 | CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCC(c2ccccc2C(F)(F)F)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| 134563699 | 176074 | 0 | None | 12 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 440 | 7 | 2 | 3 | 5.3 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CCCNC(N)=S)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| CHEMBL4591048 | 176074 | 0 | None | 12 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 440 | 7 | 2 | 3 | 5.3 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CCCNC(N)=S)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| 44402482 | 140500 | 0 | None | -16 | 3 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 534 | 4 | 0 | 6 | 6.2 | Brc1ccc2c(c1)[C@H]1O[C@H](Cn3oc4ccc(CN5CCOCC5)cc43)C[C@H]1c1ccccc1O2 | 10.1016/j.bmcl.2005.03.076 | |||
| CHEMBL381000 | 140500 | 0 | None | -16 | 3 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 534 | 4 | 0 | 6 | 6.2 | Brc1ccc2c(c1)[C@H]1O[C@H](Cn3oc4ccc(CN5CCOCC5)cc43)C[C@H]1c1ccccc1O2 | 10.1016/j.bmcl.2005.03.076 | |||
| 10427620 | 148661 | 0 | None | 36 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 4 | 1 | 3 | 4.2 | OC1(c2ccccn2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL393971 | 148661 | 0 | None | 36 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 4 | 1 | 3 | 4.2 | OC1(c2ccccn2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 44574706 | 188852 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 453 | 5 | 0 | 1 | 7.6 | FCC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL506803 | 188852 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 453 | 5 | 0 | 1 | 7.6 | FCC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL407671 | 212674 | 0 | None | - | 1 | Mouse | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC[C@@H](N)CC1CCCCC1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm990075h | |||||
| CHEMBL412606 | 213007 | 0 | None | - | 1 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm990075h | |||||
| CHEMBL428167 | 213420 | 0 | None | - | 1 | Mouse | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O | 10.1021/jm990075h | |||||
| 44391052 | 129667 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 425 | 7 | 1 | 5 | 5.3 | Cc1cc(F)ccc1OC(CCN1CCC(n2c(O)nc3ccccc32)CC1)C(C)C | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL367367 | 129667 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 425 | 7 | 1 | 5 | 5.3 | Cc1cc(F)ccc1OC(CCN1CCC(n2c(O)nc3ccccc32)CC1)C(C)C | 10.1016/j.bmcl.2004.11.049 | |||
| 25129300 | 128181 | 0 | None | 117 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 2 | 1 | 3 | 4.1 | O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2cc(F)ccc2N1 | nan | |||
| CHEMBL3665427 | 128181 | 0 | None | 117 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 387 | 2 | 1 | 3 | 4.1 | O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2cc(F)ccc2N1 | nan | |||
| 19347398 | 58720 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 4.6 | O=C1NCN(c2ccccc2)C12CCN([C@H]1CC[C@H](C3CCCCC3)CC1)CC2 | 10.1016/s0960-894x(00)00111-6 | |||
| CHEMBL168513 | 58720 | 0 | None | - | 1 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 4.6 | O=C1NCN(c2ccccc2)C12CCN([C@H]1CC[C@H](C3CCCCC3)CC1)CC2 | 10.1016/s0960-894x(00)00111-6 | |||
| 44337459 | 5323 | 0 | None | -1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 430 | 5 | 1 | 2 | 6.5 | N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL106785 | 5323 | 0 | None | -1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 430 | 5 | 1 | 2 | 6.5 | N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(02)00652-2 | |||
| 9925737 | 85964 | 0 | None | 12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 281 | 3 | 1 | 2 | 3.7 | CC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL230249 | 85964 | 0 | None | 12 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 281 | 3 | 1 | 2 | 3.7 | CC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 44426823 | 137000 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 4 | 1 | 3 | 4.2 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccnc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL374603 | 137000 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 344 | 4 | 1 | 3 | 4.2 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccnc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 44253418 | 152068 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 442 | 6 | 0 | 3 | 5.7 | COc1ccc(C(=O)N(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)cc1 | nan | |||
| CHEMBL3967435 | 152068 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 442 | 6 | 0 | 3 | 5.7 | COc1ccc(C(=O)N(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)cc1 | nan | |||
| 10274330 | 66671 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 430 | 4 | 0 | 4 | 3.8 | CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CC#N)S3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL185415 | 66671 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 430 | 4 | 0 | 4 | 3.8 | CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CC#N)S3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 118718270 | 115306 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 532 | 7 | 0 | 2 | 7.6 | O=C1CCCN1C[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349254 | 115306 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 532 | 7 | 0 | 2 | 7.6 | O=C1CCCN1C[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 90663953 | 106765 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 903 | 22 | 10 | 10 | -1.0 | CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H]2SC[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)NC(Cc3ccc(Cl)cc3)C(N)=O)N2C1=O | 10.1021/jm031034v | |||
| CHEMBL3144471 | 106765 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 903 | 22 | 10 | 10 | -1.0 | CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H]2SC[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)NC(Cc3ccc(Cl)cc3)C(N)=O)N2C1=O | 10.1021/jm031034v | |||
| 44337551 | 7879 | 0 | None | 57 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 356 | 8 | 1 | 2 | 5.7 | CCCCCC(c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL108995 | 7879 | 0 | None | 57 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 356 | 8 | 1 | 2 | 5.7 | CCCCCC(c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| 44366822 | 121511 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 903 | 22 | 10 | 10 | -1.0 | CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H]2SC[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)NC(Cc3ccc(Cl)cc3)C(N)=O)N2C1=O | 10.1021/jm020078l | |||
| CHEMBL358403 | 121511 | 0 | None | 1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 903 | 22 | 10 | 10 | -1.0 | CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H]2SC[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)NC(Cc3ccc(Cl)cc3)C(N)=O)N2C1=O | 10.1021/jm020078l | |||
| 44248789 | 103396 | 0 | None | 33 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 440 | 4 | 0 | 2 | 7.0 | Fc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1 | 10.1021/jm9008218 | |||
| CHEMBL3084673 | 103396 | 0 | None | 33 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 440 | 4 | 0 | 2 | 7.0 | Fc1ccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1 | 10.1021/jm9008218 | |||
| 44430007 | 87013 | 0 | None | 17 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 361 | 4 | 1 | 2 | 4.9 | OC1(c2ccccc2F)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL232476 | 87013 | 0 | None | 17 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 361 | 4 | 1 | 2 | 4.9 | OC1(c2ccccc2F)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 118718276 | 115312 | 0 | None | 41 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 482 | 6 | 1 | 2 | 7.0 | NC[C@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349260 | 115312 | 0 | None | 41 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 482 | 6 | 1 | 2 | 7.0 | NC[C@]1(Cc2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 25190573 | 180487 | 0 | None | 39 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 439 | 6 | 0 | 3 | 5.3 | CCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL475308 | 180487 | 0 | None | 39 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 439 | 6 | 0 | 3 | 5.3 | CCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 122179053 | 121395 | 0 | None | -676 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 503 | 5 | 2 | 5 | 4.7 | CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccc(F)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| CHEMBL3581743 | 121395 | 0 | None | -676 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 503 | 5 | 2 | 5 | 4.7 | CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccc(F)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| 134154039 | 152863 | 0 | None | -676 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 503 | 5 | 2 | 5 | 4.7 | CO[C@@]12C=C[C@]3(C[C@@]1(C)[C@@H](O)c1ccc(F)cc1)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@@H]2O5 | nan | |||
| CHEMBL3974294 | 152863 | 0 | None | -676 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 503 | 5 | 2 | 5 | 4.7 | CO[C@@]12C=C[C@]3(C[C@@]1(C)[C@@H](O)c1ccc(F)cc1)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@@H]2O5 | nan | |||
| 122179053 | 121395 | 0 | None | -676 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 503 | 5 | 2 | 5 | 4.7 | CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccc(F)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | nan | |||
| CHEMBL3581743 | 121395 | 0 | None | -676 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 503 | 5 | 2 | 5 | 4.7 | CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccc(F)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | nan | |||
| 44252838 | 151835 | 0 | None | -5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 444 | 7 | 0 | 2 | 6.5 | CN(C)C1(CC2CCCC2)CCC(c2ccccc2)(N(C)C(=O)/C=C/c2ccccc2)CC1 | nan | |||
| CHEMBL3965425 | 151835 | 0 | None | -5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 444 | 7 | 0 | 2 | 6.5 | CN(C)C1(CC2CCCC2)CCC(c2ccccc2)(N(C)C(=O)/C=C/c2ccccc2)CC1 | nan | |||
| 90306885 | 110963 | 0 | None | -85 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 493 | 5 | 2 | 6 | 4.6 | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1cccs1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | nan | |||
| CHEMBL3262372 | 110963 | 0 | None | -85 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 493 | 5 | 2 | 6 | 4.6 | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1cccs1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | nan | |||
| 90306885 | 110963 | 0 | None | -85 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 493 | 5 | 2 | 6 | 4.6 | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1cccs1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | nan | |||
| CHEMBL3262372 | 110963 | 0 | None | -85 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 493 | 5 | 2 | 6 | 4.6 | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1cccs1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | nan | |||
| 10199984 | 66231 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 383 | 2 | 1 | 3 | 3.2 | O=S1(=O)Nc2ccccc2N1C1CCN(C2CCc3ccccc3C2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL184547 | 66231 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 383 | 2 | 1 | 3 | 3.2 | O=S1(=O)Nc2ccccc2N1C1CCN(C2CCc3ccccc3C2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 10193971 | 110496 | 0 | None | 15 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 7 | 1 | 2 | 5.6 | CCCCC(c1cc(F)cc(F)c1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL324895 | 110496 | 0 | None | 15 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 7 | 1 | 2 | 5.6 | CCCCC(c1cc(F)cc(F)c1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| 44366690 | 120888 | 0 | None | 12 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 899 | 22 | 10 | 9 | -0.6 | CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC[C@H]2CCC[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)NC(Cc3ccc(Cl)cc3)C(N)=O)N2C1=O | 10.1021/jm020078l | |||
| CHEMBL355931 | 120888 | 0 | None | 12 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 899 | 22 | 10 | 9 | -0.6 | CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC[C@H]2CCC[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)NC(Cc3ccc(Cl)cc3)C(N)=O)N2C1=O | 10.1021/jm020078l | |||
| 44426824 | 85691 | 0 | None | 11 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.8 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccs2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL228740 | 85691 | 0 | None | 11 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.8 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccs2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 118718268 | 115304 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 493 | 6 | 1 | 3 | 6.2 | CC(=O)NC[C@]1(c2cccnc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349252 | 115304 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 493 | 6 | 1 | 3 | 6.2 | CC(=O)NC[C@]1(c2cccnc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 46880030 | 7431 | 0 | None | 51 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 384 | 4 | 1 | 5 | 2.9 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1086622 | 7431 | 0 | None | 51 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 384 | 4 | 1 | 5 | 2.9 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 25129299 | 128179 | 0 | None | 10 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 369 | 2 | 1 | 3 | 3.9 | O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc2N1 | nan | |||
| CHEMBL3665425 | 128179 | 0 | None | 10 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 369 | 2 | 1 | 3 | 3.9 | O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc2N1 | nan | |||
| 44413401 | 78546 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 297 | 3 | 1 | 2 | 4.3 | c1cnc2[nH]cc(C3CCN(CC4CCCCC4)CC3)c2c1 | 10.1016/j.bmcl.2006.03.094 | |||
| CHEMBL211210 | 78546 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 297 | 3 | 1 | 2 | 4.3 | c1cnc2[nH]cc(C3CCN(CC4CCCCC4)CC3)c2c1 | 10.1016/j.bmcl.2006.03.094 | |||
| 44426830 | 143990 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 411 | 4 | 1 | 2 | 5.8 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL390280 | 143990 | 0 | None | 1 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 411 | 4 | 1 | 2 | 5.8 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 10134217 | 66274 | 0 | None | 2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 377 | 3 | 1 | 3 | 3.8 | CC(C)C1CCC(N2CCC(N3c4ccccc4NS3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL184698 | 66274 | 0 | None | 2 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 377 | 3 | 1 | 3 | 3.8 | CC(C)C1CCC(N2CCC(N3c4ccccc4NS3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 22562135 | 64862 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 351 | 5 | 1 | 3 | 3.5 | CC(C)CCC(C)N1CCC(N2c3ccccc3NS2(=O)=O)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL182131 | 64862 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 351 | 5 | 1 | 3 | 3.5 | CC(C)CCC(C)N1CCC(N2c3ccccc3NS2(=O)=O)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 76313426 | 103344 | 0 | None | 12 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 484 | 5 | 1 | 2 | 7.3 | N[C@@]1(Cc2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084557 | 103344 | 0 | None | 12 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 484 | 5 | 1 | 2 | 7.3 | N[C@@]1(Cc2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 44438963 | 91766 | 0 | None | 13 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 421 | 2 | 1 | 3 | 4.7 | O=C1NCN(c2ccccc2)C12CCN(C1c3ccccc3C=Cc3ccccc31)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL241067 | 91766 | 0 | None | 13 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 421 | 2 | 1 | 3 | 4.7 | O=C1NCN(c2ccccc2)C12CCN(C1c3ccccc3C=Cc3ccccc31)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 44252986 | 149463 | 0 | None | 3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 376 | 4 | 1 | 2 | 5.2 | CNC1(c2ccccc2)CCC(c2ccc(C(F)(F)F)cc2)(N(C)C)CC1 | nan | |||
| CHEMBL3946074 | 149463 | 0 | None | 3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 376 | 4 | 1 | 2 | 5.2 | CNC1(c2ccccc2)CCC(c2ccc(C(F)(F)F)cc2)(N(C)C)CC1 | nan | |||
| 44252242 | 150121 | 0 | None | -6 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 5 | 0 | 2 | 4.6 | CN(C)C1(Cc2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| CHEMBL3951213 | 150121 | 0 | None | -6 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 336 | 5 | 0 | 2 | 4.6 | CN(C)C1(Cc2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| 44337473 | 9291 | 0 | None | 7 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 328 | 6 | 1 | 2 | 5.0 | CCCC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL110933 | 9291 | 0 | None | 7 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 328 | 6 | 1 | 2 | 5.0 | CCCC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| 10831914 | 30929 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 353 | 3 | 2 | 3 | 5.0 | Cc1cc(N)c2cc(NC(=O)c3ccccc3-c3ccccc3)ccc2n1 | 10.1021/jm0002073 | |||
| CHEMBL139816 | 30929 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 353 | 3 | 2 | 3 | 5.0 | Cc1cc(N)c2cc(NC(=O)c3ccccc3-c3ccccc3)ccc2n1 | 10.1021/jm0002073 | |||
| 10150260 | 110443 | 0 | None | 33 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 362 | 5 | 1 | 2 | 5.2 | N[C@@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL324635 | 110443 | 0 | None | 33 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 362 | 5 | 1 | 2 | 5.2 | N[C@@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(02)00652-2 | |||
| 44391092 | 64666 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 421 | 8 | 1 | 5 | 5.4 | CCc1ccccc1OC(CCN1CCC(n2c(O)nc3ccccc32)CC1)C(C)C | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL181830 | 64666 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 421 | 8 | 1 | 5 | 5.4 | CCc1ccccc1OC(CCN1CCC(n2c(O)nc3ccccc32)CC1)C(C)C | 10.1016/j.bmcl.2004.11.049 | |||
| 44451673 | 168954 | 0 | None | 5 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 533 | 10 | 0 | 9 | 5.0 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4noc(C)n4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL438919 | 168954 | 0 | None | 5 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 533 | 10 | 0 | 9 | 5.0 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4noc(C)n4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 10669671 | 31737 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 417 | 5 | 2 | 4 | 5.6 | Cc1cc2ccc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)cc2c(N)n1 | 10.1021/jm0002073 | |||
| CHEMBL140580 | 31737 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 417 | 5 | 2 | 4 | 5.6 | Cc1cc2ccc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)cc2c(N)n1 | 10.1021/jm0002073 | |||
| 44395410 | 66890 | 1 | None | -10 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 405 | 6 | 1 | 2 | 5.8 | OC1(c2ccc(Cl)cc2)CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.08.032 | |||
| CHEMBL186426 | 66890 | 1 | None | -10 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 405 | 6 | 1 | 2 | 5.8 | OC1(c2ccc(Cl)cc2)CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.08.032 | |||
| 68629836 | 153269 | 0 | None | -7 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 314 | 5 | 1 | 2 | 4.6 | CNC1(c2ccccc2)CCC(CC2CCCC2)(N(C)C)CC1 | nan | |||
| CHEMBL3977691 | 153269 | 0 | None | -7 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 314 | 5 | 1 | 2 | 4.6 | CNC1(c2ccccc2)CCC(CC2CCCC2)(N(C)C)CC1 | nan | |||
| 44437602 | 90652 | 0 | None | 14 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 495 | 11 | 0 | 7 | 4.9 | COCCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL239043 | 90652 | 0 | None | 14 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 495 | 11 | 0 | 7 | 4.9 | COCCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| 22725091 | 189409 | 0 | None | 2 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 439 | 4 | 1 | 4 | 5.4 | OC1(c2cccnn2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL513171 | 189409 | 0 | None | 2 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 439 | 4 | 1 | 4 | 5.4 | OC1(c2cccnn2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 44430024 | 153572 | 0 | None | 47 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 307 | 4 | 1 | 2 | 4.0 | OC1(C2CC2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL398039 | 153572 | 0 | None | 47 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 307 | 4 | 1 | 2 | 4.0 | OC1(C2CC2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 127043559 | 140508 | 0 | None | -9 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1603 | 43 | 26 | 18 | -1.5 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1=O | 10.1021/acs.jmedchem.5b01976 | |||
| CHEMBL3810104 | 140508 | 0 | None | -9 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1603 | 43 | 26 | 18 | -1.5 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1=O | 10.1021/acs.jmedchem.5b01976 | |||
| 44391104 | 65012 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 5.5 | Cc1ccc(Cl)c(OC(c2ccccc2)C(O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL182328 | 65012 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 5.5 | Cc1ccc(Cl)c(OC(c2ccccc2)C(O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| 44574671 | 178435 | 0 | None | 9 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 452 | 4 | 1 | 3 | 6.0 | Cc1ccnc(C2(O)C3CCC2CN(C(c2ccccc2Cl)c2ccccc2Cl)C3)c1 | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL466082 | 178435 | 0 | None | 9 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 452 | 4 | 1 | 3 | 6.0 | Cc1ccnc(C2(O)C3CCC2CN(C(c2ccccc2Cl)c2ccccc2Cl)C3)c1 | 10.1016/j.bmcl.2009.03.031 | |||
| 9902874 | 99952 | 0 | None | 24 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 347 | 3 | 1 | 2 | 4.0 | CC(C)C1CCC(N2CCC(N3C(=O)N[C@@H]4CCCC[C@H]43)CC2)CC1 | 10.1016/j.bmcl.2003.11.083 | |||
| CHEMBL286411 | 99952 | 0 | None | 24 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 347 | 3 | 1 | 2 | 4.0 | CC(C)C1CCC(N2CCC(N3C(=O)N[C@@H]4CCCC[C@H]43)CC2)CC1 | 10.1016/j.bmcl.2003.11.083 | |||
| 44391157 | 64884 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 452 | 8 | 1 | 7 | 5.1 | Cc1ccc([N+](=O)[O-])c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL182202 | 64884 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 452 | 8 | 1 | 7 | 5.1 | Cc1ccc([N+](=O)[O-])c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| 118718262 | 115297 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 492 | 8 | 1 | 2 | 7.5 | CCNC[C@@]1(Cc2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349245 | 115297 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 492 | 8 | 1 | 2 | 7.5 | CCNC[C@@]1(Cc2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 118718299 | 115336 | 0 | None | 43 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 466 | 3 | 1 | 2 | 7.2 | Fc1ccc2c(c1)[C@@]1(CN2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349284 | 115336 | 0 | None | 43 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 466 | 3 | 1 | 2 | 7.2 | Fc1ccc2c(c1)[C@@]1(CN2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3810101 | 212274 | 0 | None | 48 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.5b01976 | |||||
| 15512233 | 167857 | 0 | None | 3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 401 | 2 | 1 | 3 | 4.0 | O=C1NCN(c2ccccc2F)C12CCN(C1Cc3cccc4cccc1c34)CC2 | 10.1016/s0960-894x(99)00385-6 | |||
| CHEMBL431002 | 167857 | 0 | None | 3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 401 | 2 | 1 | 3 | 4.0 | O=C1NCN(c2ccccc2F)C12CCN(C1Cc3cccc4cccc1c34)CC2 | 10.1016/s0960-894x(99)00385-6 | |||
| 24776399 | 97947 | 0 | None | 9 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 386 | 1 | 0 | 2 | 4.7 | CN1Cc2cccc(F)c2C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O | 10.1021/jm7009606 | |||
| CHEMBL272600 | 97947 | 0 | None | 9 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 386 | 1 | 0 | 2 | 4.7 | CN1Cc2cccc(F)c2C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O | 10.1021/jm7009606 | |||
| 68632271 | 142905 | 0 | None | -3 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 336 | 6 | 1 | 2 | 4.5 | CNC1(c2ccccc2)CCC(Cc2ccccc2)(CN(C)C)CC1 | nan | |||
| CHEMBL3893777 | 142905 | 0 | None | -3 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 336 | 6 | 1 | 2 | 4.5 | CNC1(c2ccccc2)CCC(Cc2ccccc2)(CN(C)C)CC1 | nan | |||
| 90656668 | 110952 | 0 | None | -1096 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 501 | 6 | 2 | 5 | 4.9 | CC[C@@](O)(c1ccccc1)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5 | 10.1021/jm401964y | |||
| CHEMBL3262091 | 110952 | 0 | None | -1096 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 501 | 6 | 2 | 5 | 4.9 | CC[C@@](O)(c1ccccc1)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5 | 10.1021/jm401964y | |||
| CHEMBL263859 | 210593 | 0 | None | - | 1 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O | 10.1021/jm990075h | |||||
| 59159347 | 128185 | 0 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 427 | 3 | 1 | 5 | 3.7 | COC(=O)c1ccc2c(c1)N(C1CCN(C3CCCCCCC3)CC1)C(=O)CC(=O)N2 | nan | |||
| CHEMBL3665431 | 128185 | 0 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 427 | 3 | 1 | 5 | 3.7 | COC(=O)c1ccc2c(c1)N(C1CCN(C3CCCCCCC3)CC1)C(=O)CC(=O)N2 | nan | |||
| 10225083 | 166394 | 0 | None | 8 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 437 | 8 | 1 | 5 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL427683 | 166394 | 0 | None | 8 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 437 | 8 | 1 | 5 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| 16007142 | 139351 | 0 | None | 97 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 353 | 2 | 1 | 2 | 5.2 | c1cc2c3c(cccc3c1)C(N1CCC(c3c[nH]c4ncccc34)CC1)C2 | 10.1016/j.bmcl.2006.03.094 | |||
| CHEMBL379297 | 139351 | 0 | None | 97 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 353 | 2 | 1 | 2 | 5.2 | c1cc2c3c(cccc3c1)C(N1CCC(c3c[nH]c4ncccc34)CC1)C2 | 10.1016/j.bmcl.2006.03.094 | |||
| 9951673 | 85704 | 0 | None | 154 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 377 | 4 | 1 | 2 | 5.4 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL228849 | 85704 | 0 | None | 154 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 377 | 4 | 1 | 2 | 5.4 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 9820782 | 143251 | 0 | None | 426 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 371 | 4 | 1 | 2 | 5.4 | Cc1ccccc1C(c1ccccc1C)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL389665 | 143251 | 0 | None | 426 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 371 | 4 | 1 | 2 | 5.4 | Cc1ccccc1C(c1ccccc1C)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 118718274 | 115310 | 0 | None | 63 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 523 | 7 | 1 | 4 | 6.2 | COc1cccc([C@@]2(CNC(C)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1 | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349258 | 115310 | 0 | None | 63 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 523 | 7 | 1 | 4 | 6.2 | COc1cccc([C@@]2(CNC(C)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1 | 10.1016/j.bmcl.2008.10.088 | |||
| 44574744 | 189305 | 0 | None | 114 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 436 | 4 | 1 | 2 | 6.6 | NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL512258 | 189305 | 0 | None | 114 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 436 | 4 | 1 | 2 | 6.6 | NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 76309739 | 103317 | 0 | None | 13 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 465 | 5 | 1 | 3 | 5.5 | NC(=O)[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084528 | 103317 | 0 | None | 13 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 465 | 5 | 1 | 3 | 5.5 | NC(=O)[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 44437615 | 90375 | 0 | None | 67 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 509 | 10 | 0 | 8 | 4.4 | COC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL238637 | 90375 | 0 | None | 67 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 509 | 10 | 0 | 8 | 4.4 | COC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| 44437626 | 90621 | 0 | None | 26 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 508 | 11 | 0 | 7 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCN(C)C)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL238795 | 90621 | 0 | None | 26 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 508 | 11 | 0 | 7 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCN(C)C)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| 44437601 | 90626 | 0 | None | 7 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 481 | 10 | 0 | 7 | 4.9 | COCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL238833 | 90626 | 0 | None | 7 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 481 | 10 | 0 | 7 | 4.9 | COCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| 44437602 | 90652 | 0 | None | 14 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 495 | 11 | 0 | 7 | 4.9 | COCCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL239043 | 90652 | 0 | None | 14 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 495 | 11 | 0 | 7 | 4.9 | COCCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| 44437636 | 145437 | 0 | None | 31 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 513 | 10 | 0 | 7 | 4.6 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(C[S+](C)[O-])c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL391422 | 145437 | 0 | None | 31 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 513 | 10 | 0 | 7 | 4.6 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(C[S+](C)[O-])c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| 10225083 | 166394 | 0 | None | 8 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 437 | 8 | 1 | 5 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL427683 | 166394 | 0 | None | 8 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 437 | 8 | 1 | 5 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| 24970041 | 128193 | 0 | None | 131 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 4.4 | O=c1[nH]c2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O | nan | |||
| CHEMBL3665439 | 128193 | 0 | None | 131 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 4.4 | O=c1[nH]c2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O | nan | |||
| 9806799 | 179272 | 0 | None | 141 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 522 | 7 | 1 | 4 | 5.4 | CNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL473068 | 179272 | 0 | None | 141 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 522 | 7 | 1 | 4 | 5.4 | CNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 44437602 | 90652 | 0 | None | 14 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 495 | 11 | 0 | 7 | 4.9 | COCCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL239043 | 90652 | 0 | None | 14 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 495 | 11 | 0 | 7 | 4.9 | COCCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2008.01.005 | |||
| 16747695 | 168750 | 0 | None | 39 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 546 | 8 | 2 | 4 | 5.9 | CC(C)S(=O)(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL437177 | 168750 | 0 | None | 39 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 546 | 8 | 2 | 4 | 5.9 | CC(C)S(=O)(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 44451805 | 96203 | 0 | None | 28 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 517 | 10 | 0 | 8 | 5.0 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cn4ccnc4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL260784 | 96203 | 0 | None | 28 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 517 | 10 | 0 | 8 | 5.0 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cn4ccnc4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 53325608 | 57309 | 0 | None | 53 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 439 | 4 | 1 | 6 | 3.9 | CN1CCN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CC1 | 10.1016/j.bmc.2010.07.034 | |||
| CHEMBL1650847 | 57309 | 0 | None | 53 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 439 | 4 | 1 | 6 | 3.9 | CN1CCN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CC1 | 10.1016/j.bmc.2010.07.034 | |||
| 53319617 | 57311 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 441 | 4 | 1 | 4 | 5.8 | OCC1(N2CCC(n3c(-c4ccc(F)c(Cl)c4)nc4ccccc43)CC2)CCCCC1 | 10.1016/j.bmc.2010.07.034 | |||
| CHEMBL1650849 | 57311 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 441 | 4 | 1 | 4 | 5.8 | OCC1(N2CCC(n3c(-c4ccc(F)c(Cl)c4)nc4ccccc43)CC2)CCCCC1 | 10.1016/j.bmc.2010.07.034 | |||
| 53316969 | 57312 | 0 | None | 3 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 357 | 3 | 2 | 4 | 3.4 | O=c1[nH]c2ccccc2n1C1CCN(C2(CO)CCCCCCC2)CC1 | 10.1016/j.bmc.2010.07.034 | |||
| CHEMBL1650851 | 57312 | 0 | None | 3 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 357 | 3 | 2 | 4 | 3.4 | O=c1[nH]c2ccccc2n1C1CCN(C2(CO)CCCCCCC2)CC1 | 10.1016/j.bmc.2010.07.034 | |||
| 11372427 | 179153 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 380 | 4 | 2 | 4 | 3.5 | Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1CO | 10.1021/jm701590h | |||
| CHEMBL472125 | 179153 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 380 | 4 | 2 | 4 | 3.5 | Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1CO | 10.1021/jm701590h | |||
| 11188910 | 189441 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 404 | 3 | 2 | 4 | 3.7 | O[C@H]1C[C@H](CN2CC[C@H](c3ccc(F)cc3Cl)[C@@H](O)C2)CCc2cccnc21 | 10.1021/jm701590h | |||
| CHEMBL513423 | 189441 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 404 | 3 | 2 | 4 | 3.7 | O[C@H]1C[C@H](CN2CC[C@H](c3ccc(F)cc3Cl)[C@@H](O)C2)CCc2cccnc21 | 10.1021/jm701590h | |||
| 10109140 | 120564 | 4 | None | -2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 323 | 5 | 1 | 2 | 4.4 | CN(C)[C@]1(c2ccccc2)CC[C@@](O)(CCc2ccccc2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3325747 | 120564 | 4 | None | -2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 323 | 5 | 1 | 2 | 4.4 | CN(C)[C@]1(c2ccccc2)CC[C@@](O)(CCc2ccccc2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3545630 | 120564 | 4 | None | -2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 323 | 5 | 1 | 2 | 4.4 | CN(C)[C@]1(c2ccccc2)CC[C@@](O)(CCc2ccccc2)CC1 | 10.1021/ml500116x | |||
| 11187225 | 179163 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 350 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 | 10.1021/jm701590h | |||
| CHEMBL472168 | 179163 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 350 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 | 10.1021/jm701590h | |||
| 25190608 | 189240 | 0 | None | 3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 445 | 4 | 0 | 4 | 4.5 | CC(=O)CN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL511649 | 189240 | 0 | None | 3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 445 | 4 | 0 | 4 | 4.5 | CC(=O)CN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 57720736 | 120559 | 0 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 374 | 2 | 1 | 2 | 5.3 | Cc1ccc2[nH]c3c(c2c1)CCO[C@]31CC[C@](c2ccccc2)(N(C)C)CC1 | 10.1021/ml500117c | |||
| CHEMBL3325960 | 120559 | 0 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 374 | 2 | 1 | 2 | 5.3 | Cc1ccc2[nH]c3c(c2c1)CCO[C@]31CC[C@](c2ccccc2)(N(C)C)CC1 | 10.1021/ml500117c | |||
| CHEMBL3545625 | 120559 | 0 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 374 | 2 | 1 | 2 | 5.3 | Cc1ccc2[nH]c3c(c2c1)CCO[C@]31CC[C@](c2ccccc2)(N(C)C)CC1 | 10.1021/ml500117c | |||
| 52951938 | 77589 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 448 | 6 | 1 | 4 | 4.3 | CC(C)NC(=O)[C@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm101487v | |||
| CHEMBL2088031 | 77589 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 448 | 6 | 1 | 4 | 4.3 | CC(C)NC(=O)[C@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm101487v | |||
| 53316968 | 57303 | 0 | None | 85 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 453 | 4 | 2 | 6 | 4.3 | CC1(C)CN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CCN1 | 10.1016/j.bmc.2010.07.034 | |||
| CHEMBL1650841 | 57303 | 0 | None | 85 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 453 | 4 | 2 | 6 | 4.3 | CC1(C)CN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CCN1 | 10.1016/j.bmc.2010.07.034 | |||
| 52951938 | 77589 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 448 | 6 | 1 | 4 | 4.3 | CC(C)NC(=O)[C@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm201629q | |||
| CHEMBL2088031 | 77589 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 448 | 6 | 1 | 4 | 4.3 | CC(C)NC(=O)[C@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm201629q | |||
| 44430048 | 87545 | 0 | None | 100 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 316 | 4 | 2 | 3 | 3.4 | NCc1ccccc1C1(O)CCN(CC2CCCCCC2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL233535 | 87545 | 0 | None | 100 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 316 | 4 | 2 | 3 | 3.4 | NCc1ccccc1C1(O)CCN(CC2CCCCCC2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 11583008 | 175861 | 5 | None | 213 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 439 | 4 | 1 | 4 | 5.4 | OC1(c2ncccn2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1021/acs.jmedchem.5b01499 | |||
| CHEMBL4585935 | 175861 | 5 | None | 213 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 439 | 4 | 1 | 4 | 5.4 | OC1(c2ncccn2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1021/acs.jmedchem.5b01499 | |||
| 10475466 | 144983 | 0 | None | 5 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 389 | 4 | 1 | 3 | 4.3 | O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)C1CCCC1)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL391083 | 144983 | 0 | None | 5 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 389 | 4 | 1 | 3 | 4.3 | O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)C1CCCC1)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 9885005 | 58740 | 0 | None | 1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 3.6 | CC(C)[C@H]1CC[C@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 | 10.1016/s0960-894x(00)00111-6 | |||
| CHEMBL168578 | 58740 | 0 | None | 1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 3.6 | CC(C)[C@H]1CC[C@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 | 10.1016/s0960-894x(00)00111-6 | |||
| 44332117 | 107899 | 0 | None | 3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 2 | 0 | 2 | 4.4 | O=C1Cc2ccccc2N1C1CCN(C2CCC3CCCC[C@@H]3C2)CC1 | 10.1021/jm034249d | |||
| CHEMBL319307 | 107899 | 0 | None | 3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 2 | 0 | 2 | 4.4 | O=C1Cc2ccccc2N1C1CCN(C2CCC3CCCC[C@@H]3C2)CC1 | 10.1021/jm034249d | |||
| 24776407 | 97741 | 1 | None | 812 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 3.9 | CC(C)C1CCC(N2CCC3(CC2)C(=O)NCc2ccccc23)CC1 | 10.1021/jm7009606 | |||
| CHEMBL271590 | 97741 | 1 | None | 812 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 340 | 2 | 1 | 2 | 3.9 | CC(C)C1CCC(N2CCC3(CC2)C(=O)NCc2ccccc23)CC1 | 10.1021/jm7009606 | |||
| 46880114 | 7515 | 0 | None | 10 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 426 | 4 | 1 | 5 | 3.8 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C)(C)CC3(C)C)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1087276 | 7515 | 0 | None | 10 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 426 | 4 | 1 | 5 | 3.8 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C)(C)CC3(C)C)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 19347346 | 57485 | 0 | None | 2 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 327 | 2 | 1 | 3 | 3.1 | O=C1NCN(c2ccccc2)C12CCN(C1CCCCCC1)CC2 | 10.1016/s0960-894x(00)00111-6 | |||
| CHEMBL165885 | 57485 | 0 | None | 2 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 327 | 2 | 1 | 3 | 3.1 | O=C1NCN(c2ccccc2)C12CCN(C1CCCCCC1)CC2 | 10.1016/s0960-894x(00)00111-6 | |||
| 44451777 | 156395 | 0 | None | 25 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 531 | 10 | 0 | 8 | 5.3 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cn4ccnc4C)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL406647 | 156395 | 0 | None | 25 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 531 | 10 | 0 | 8 | 5.3 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cn4ccnc4C)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 44451594 | 158304 | 0 | None | 10 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 528 | 10 | 0 | 7 | 5.7 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ccccn4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL408909 | 158304 | 0 | None | 10 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 528 | 10 | 0 | 7 | 5.7 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ccccn4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 44252533 | 147204 | 0 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 438 | 6 | 0 | 2 | 6.1 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)/C=C/c2ccccc2)CC1 | nan | |||
| CHEMBL3928190 | 147204 | 0 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 438 | 6 | 0 | 2 | 6.1 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)/C=C/c2ccccc2)CC1 | nan | |||
| 44574890 | 178629 | 0 | None | 10 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 478 | 5 | 1 | 2 | 6.4 | CNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL467497 | 178629 | 0 | None | 10 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 478 | 5 | 1 | 2 | 6.4 | CNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 44574849 | 189178 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 542 | 5 | 1 | 2 | 6.9 | NC(=O)C1(c2ccc(Br)cc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL511223 | 189178 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 542 | 5 | 1 | 2 | 6.9 | NC(=O)C1(c2ccc(Br)cc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 44394284 | 66185 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 365 | 5 | 1 | 3 | 3.1 | CC(C)CCC(C)N1CCC(N2c3ccccc3CNS2(=O)=O)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL184381 | 66185 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 365 | 5 | 1 | 3 | 3.1 | CC(C)CCC(C)N1CCC(N2c3ccccc3CNS2(=O)=O)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 71624389 | 90468 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 5.1 | CC1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2013.03.101 | |||
| CHEMBL2387200 | 90468 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 5.1 | CC1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2013.03.101 | |||
| 10454860 | 139872 | 0 | None | 2 | 2 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 421 | 3 | 0 | 7 | 1.0 | CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)[O-])C=C[C@H]4[C@@H](C2)[N+](C)(C)CC[C@]314 | 10.1016/j.bmcl.2006.05.060 | |||
| CHEMBL379928 | 139872 | 0 | None | 2 | 2 | Guinea pig | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 421 | 3 | 0 | 7 | 1.0 | CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)[O-])C=C[C@H]4[C@@H](C2)[N+](C)(C)CC[C@]314 | 10.1016/j.bmcl.2006.05.060 | |||
| 76313422 | 103327 | 0 | None | 3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 508 | 6 | 2 | 4 | 4.6 | NC(=O)c1ccc([C@]2(C(N)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1 | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084538 | 103327 | 0 | None | 3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 508 | 6 | 2 | 4 | 4.6 | NC(=O)c1ccc([C@]2(C(N)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1 | 10.1016/j.bmcl.2009.03.057 | |||
| 68632816 | 146291 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 366 | 6 | 1 | 3 | 3.9 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)CC(=O)O)CC1 | nan | |||
| CHEMBL3920864 | 146291 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 366 | 6 | 1 | 3 | 3.9 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)CC(=O)O)CC1 | nan | |||
| 60154189 | 77595 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 388 | 5 | 0 | 6 | 2.2 | CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc12)Cn1cccn1 | 10.1021/jm201629q | |||
| CHEMBL2088038 | 77595 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 388 | 5 | 0 | 6 | 2.2 | CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc12)Cn1cccn1 | 10.1021/jm201629q | |||
| CHEMBL2088039 | 77595 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 388 | 5 | 0 | 6 | 2.2 | CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc12)Cn1cccn1 | 10.1021/jm201629q | |||
| 44426815 | 85939 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 297 | 4 | 2 | 3 | 2.7 | OCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL230039 | 85939 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 297 | 4 | 2 | 3 | 2.7 | OCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 44402544 | 70316 | 0 | None | -22 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 511 | 3 | 0 | 4 | 8.1 | Brc1ccc2c(c1)[C@H]1O[C@H](Cn3oc4ccc(-c5ccccc5)cc43)C[C@H]1c1ccccc1O2 | 10.1016/j.bmcl.2005.03.076 | |||
| CHEMBL194442 | 70316 | 0 | None | -22 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 511 | 3 | 0 | 4 | 8.1 | Brc1ccc2c(c1)[C@H]1O[C@H](Cn3oc4ccc(-c5ccccc5)cc43)C[C@H]1c1ccccc1O2 | 10.1016/j.bmcl.2005.03.076 | |||
| 46879475 | 6007 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 429 | 5 | 1 | 6 | 2.9 | CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc4ccccc4n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1080273 | 6007 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 429 | 5 | 1 | 6 | 2.9 | CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc4ccccc4n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 44426813 | 86601 | 0 | None | 7 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 335 | 4 | 1 | 2 | 4.9 | OC1(c2ccccc2)CCN(C(c2ccccc2)C2CCCC2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL231608 | 86601 | 0 | None | 7 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 335 | 4 | 1 | 2 | 4.9 | OC1(c2ccccc2)CCN(C(c2ccccc2)C2CCCC2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 44402373 | 123999 | 0 | None | 1 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 313 | 2 | 0 | 3 | 4.1 | CN(C)C[C@H]1C[C@H]2c3ccccc3Oc3ccc(F)cc3[C@H]2O1 | 10.1016/j.bmcl.2005.03.076 | |||
| CHEMBL362950 | 123999 | 0 | None | 1 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 313 | 2 | 0 | 3 | 4.1 | CN(C)C[C@H]1C[C@H]2c3ccccc3Oc3ccc(F)cc3[C@H]2O1 | 10.1016/j.bmcl.2005.03.076 | |||
| 9883872 | 120269 | 0 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 327 | 2 | 1 | 3 | 3.0 | C[C@H]1CC[C@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 | 10.1016/s0960-894x(00)00111-6 | |||
| CHEMBL352490 | 120269 | 0 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 327 | 2 | 1 | 3 | 3.0 | C[C@H]1CC[C@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 | 10.1016/s0960-894x(00)00111-6 | |||
| 10139672 | 125886 | 0 | None | 4 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 463 | 5 | 0 | 5 | 3.4 | COC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL364844 | 125886 | 0 | None | 4 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 463 | 5 | 0 | 5 | 3.4 | COC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2004.08.001 | |||
| 44451724 | 95826 | 0 | None | 2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 532 | 10 | 1 | 8 | 4.7 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4nnc(C)[nH]4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL258897 | 95826 | 0 | None | 2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 532 | 10 | 1 | 8 | 4.7 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4nnc(C)[nH]4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 10154848 | 99176 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 349 | 6 | 0 | 2 | 4.3 | CCN1C(=O)N(C2CCN(C(C)CCC(C)C)CC2)[C@@H]2CCCC[C@H]21 | 10.1016/j.bmcl.2003.11.083 | |||
| CHEMBL281322 | 99176 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 349 | 6 | 0 | 2 | 4.3 | CCN1C(=O)N(C2CCN(C(C)CCC(C)C)CC2)[C@@H]2CCCC[C@H]21 | 10.1016/j.bmcl.2003.11.083 | |||
| 44402415 | 135211 | 0 | None | -13 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 520 | 3 | 0 | 6 | 6.3 | Brc1ccc2c(c1)[C@H]1O[C@H](Cn3oc4ccc(N5CCOCC5)cc43)C[C@H]1c1ccccc1O2 | 10.1016/j.bmcl.2005.03.076 | |||
| CHEMBL372244 | 135211 | 0 | None | -13 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 520 | 3 | 0 | 6 | 6.3 | Brc1ccc2c(c1)[C@H]1O[C@H](Cn3oc4ccc(N5CCOCC5)cc43)C[C@H]1c1ccccc1O2 | 10.1016/j.bmcl.2005.03.076 | |||
| 9880173 | 97298 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 321 | 5 | 1 | 2 | 3.6 | CC(C)CCC(C)N1CCC(N2C(=O)N[C@@H]3CCCC[C@H]32)CC1 | 10.1016/j.bmcl.2003.11.083 | |||
| CHEMBL26909 | 97298 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 321 | 5 | 1 | 2 | 3.6 | CC(C)CCC(C)N1CCC(N2C(=O)N[C@@H]3CCCC[C@H]32)CC1 | 10.1016/j.bmcl.2003.11.083 | |||
| 44391079 | 132487 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 407 | 7 | 1 | 5 | 5.2 | Cc1ccccc1OC(CCN1CCC(n2c(O)nc3ccccc32)CC1)C(C)C | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL369786 | 132487 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 407 | 7 | 1 | 5 | 5.2 | Cc1ccccc1OC(CCN1CCC(n2c(O)nc3ccccc32)CC1)C(C)C | 10.1016/j.bmcl.2004.11.049 | |||
| 24776409 | 97958 | 0 | None | 91 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 354 | 1 | 1 | 2 | 4.3 | CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)NCc2ccccc23)CC1 | 10.1021/jm7009606 | |||
| CHEMBL272640 | 97958 | 0 | None | 91 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 354 | 1 | 1 | 2 | 4.3 | CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)NCc2ccccc23)CC1 | 10.1021/jm7009606 | |||
| 44426841 | 85719 | 0 | None | 2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 379 | 4 | 1 | 2 | 5.0 | OC1(c2ccccc2)CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL228913 | 85719 | 0 | None | 2 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 379 | 4 | 1 | 2 | 5.0 | OC1(c2ccccc2)CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 76327877 | 103340 | 0 | None | 19 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 465 | 5 | 0 | 3 | 6.6 | CN(C)[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084553 | 103340 | 0 | None | 19 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 465 | 5 | 0 | 3 | 6.6 | CN(C)[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 127044528 | 140366 | 0 | None | -83 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1474 | 43 | 23 | 18 | -1.9 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.5b01976 | |||
| CHEMBL3808415 | 140366 | 0 | None | -83 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1474 | 43 | 23 | 18 | -1.9 | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/acs.jmedchem.5b01976 | |||
| 44337108 | 111380 | 0 | None | 6 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 430 | 5 | 1 | 2 | 6.5 | N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1cccc(Cl)c1)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL327118 | 111380 | 0 | None | 6 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 430 | 5 | 1 | 2 | 6.5 | N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1cccc(Cl)c1)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| 44252835 | 154187 | 0 | None | -4 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 302 | 6 | 0 | 2 | 4.5 | CCCCC1(N(C)C)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| CHEMBL3985824 | 154187 | 0 | None | -4 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 302 | 6 | 0 | 2 | 4.5 | CCCCC1(N(C)C)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| 46179068 | 125800 | 0 | None | 27 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 465 | 3 | 1 | 5 | 5.9 | O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O | nan | |||
| CHEMBL3647963 | 125800 | 0 | None | 27 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 465 | 3 | 1 | 5 | 5.9 | O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O | nan | |||
| 71229805 | 110950 | 0 | None | -295 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 487 | 5 | 2 | 5 | 4.5 | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm401964y | |||
| CHEMBL3262089 | 110950 | 0 | None | -295 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 487 | 5 | 2 | 5 | 4.5 | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm401964y | |||
| 71229805 | 110950 | 0 | None | -295 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 487 | 5 | 2 | 5 | 4.5 | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| CHEMBL3262089 | 110950 | 0 | None | -295 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 487 | 5 | 2 | 5 | 4.5 | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| 71229805 | 110950 | 0 | None | -295 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 487 | 5 | 2 | 5 | 4.5 | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | nan | |||
| CHEMBL3262089 | 110950 | 0 | None | -295 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 487 | 5 | 2 | 5 | 4.5 | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | nan | |||
| 71229805 | 110950 | 0 | None | -295 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 487 | 5 | 2 | 5 | 4.5 | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | nan | |||
| CHEMBL3262089 | 110950 | 0 | None | -295 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 487 | 5 | 2 | 5 | 4.5 | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | nan | |||
| 134563691 | 171060 | 0 | None | 11 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 381 | 5 | 0 | 3 | 5.6 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN(C)C)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| CHEMBL4457077 | 171060 | 0 | None | 11 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 381 | 5 | 0 | 3 | 5.6 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN(C)C)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| 44430025 | 87743 | 0 | None | 16 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 309 | 4 | 1 | 2 | 4.3 | CC(C)C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL233721 | 87743 | 0 | None | 16 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 309 | 4 | 1 | 2 | 4.3 | CC(C)C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 44252838 | 151835 | 0 | None | -5 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 444 | 7 | 0 | 2 | 6.5 | CN(C)C1(CC2CCCC2)CCC(c2ccccc2)(N(C)C(=O)/C=C/c2ccccc2)CC1 | nan | |||
| CHEMBL3965425 | 151835 | 0 | None | -5 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 444 | 7 | 0 | 2 | 6.5 | CN(C)C1(CC2CCCC2)CCC(c2ccccc2)(N(C)C(=O)/C=C/c2ccccc2)CC1 | nan | |||
| 10275388 | 163194 | 0 | None | -16 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 445 | 7 | 0 | 2 | 5.7 | CCN1C(=O)N(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)[C@@H]2CCCC[C@H]21 | 10.1016/j.bmcl.2003.11.083 | |||
| CHEMBL418197 | 163194 | 0 | None | -16 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 445 | 7 | 0 | 2 | 5.7 | CCN1C(=O)N(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)[C@@H]2CCCC[C@H]21 | 10.1016/j.bmcl.2003.11.083 | |||
| 10202108 | 98392 | 1 | None | -16 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 417 | 6 | 1 | 2 | 5.0 | O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2003.11.083 | |||
| CHEMBL27539 | 98392 | 1 | None | -16 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 417 | 6 | 1 | 2 | 5.0 | O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2003.11.083 | |||
| 44426844 | 142086 | 0 | None | 1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 403 | 6 | 1 | 4 | 4.8 | COc1ccc(C(c2ccc(OC)cc2)N2CCC(O)(c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL388122 | 142086 | 0 | None | 1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 403 | 6 | 1 | 4 | 4.8 | COc1ccc(C(c2ccc(OC)cc2)N2CCC(O)(c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2007.03.061 | |||
| 24898825 | 127393 | 0 | None | -13 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 426 | 8 | 0 | 2 | 6.1 | CCC(=O)N(c1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | nan | |||
| CHEMBL3659471 | 127393 | 0 | None | -13 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 426 | 8 | 0 | 2 | 6.1 | CCC(=O)N(c1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | nan | |||
| 44366823 | 97002 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 903 | 22 | 10 | 10 | -1.0 | CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2SC[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)NC(Cc3ccc(Cl)cc3)C(N)=O)N2C1=O | 10.1021/jm020078l | |||
| CHEMBL266609 | 97002 | 0 | None | 1 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 903 | 22 | 10 | 10 | -1.0 | CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2SC[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)NC(Cc3ccc(Cl)cc3)C(N)=O)N2C1=O | 10.1021/jm020078l | |||
| 46879667 | 5965 | 0 | None | -6 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 438 | 4 | 1 | 4 | 3.7 | CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1079940 | 5965 | 0 | None | -6 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 438 | 4 | 1 | 4 | 3.7 | CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O | 10.1016/j.bmcl.2009.09.028 | |||
| 71230446 | 121405 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 527 | 5 | 2 | 6 | 5.5 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccc(Cl)s1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| CHEMBL3581760 | 121405 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 527 | 5 | 2 | 6 | 5.5 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccc(Cl)s1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| 134563650 | 169843 | 0 | None | 16 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 354 | 4 | 1 | 3 | 5.0 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CO)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| CHEMBL4439997 | 169843 | 0 | None | 16 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 354 | 4 | 1 | 3 | 5.0 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CO)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| 10114637 | 67054 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 447 | 6 | 1 | 3 | 4.9 | O=S1(=O)Nc2ccccc2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL187183 | 67054 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 447 | 6 | 1 | 3 | 4.9 | O=S1(=O)Nc2ccccc2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 90663950 | 106760 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 843 | 21 | 10 | 8 | 0.9 | N=C(N)NCCCCC(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2CCC[C@@H](C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](Cc3ccc(Cl)cc3)C(N)=O)N2C1=O | 10.1021/jm031034v | |||
| CHEMBL3144465 | 106760 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 843 | 21 | 10 | 8 | 0.9 | N=C(N)NCCCCC(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2CCC[C@@H](C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](Cc3ccc(Cl)cc3)C(N)=O)N2C1=O | 10.1021/jm031034v | |||
| 59159323 | 128178 | 0 | None | 7 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 454 | 4 | 1 | 6 | 2.7 | NC(=O)Cn1c(=O)c(=O)n(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21 | nan | |||
| CHEMBL3665424 | 128178 | 0 | None | 7 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 454 | 4 | 1 | 6 | 2.7 | NC(=O)Cn1c(=O)c(=O)n(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21 | nan | |||
| 46879476 | 5896 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 428 | 5 | 1 | 5 | 3.5 | CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc4ccccc4c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1079561 | 5896 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 428 | 5 | 1 | 5 | 3.5 | CNC(=O)Cn1c(=O)n(C2CCN(Cc3ccc4ccccc4c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 10362733 | 88200 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 386 | 5 | 1 | 3 | 4.8 | CN(C)c1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL234761 | 88200 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 386 | 5 | 1 | 3 | 4.8 | CN(C)c1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2007.03.062 | |||
| 44430036 | 88056 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 296 | 4 | 2 | 3 | 2.6 | NCc1ccccc1C1(O)CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL234581 | 88056 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 296 | 4 | 2 | 3 | 2.6 | NCc1ccccc1C1(O)CCN(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 44414813 | 33103 | 0 | None | -1 | 2 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 379 | 3 | 1 | 6 | 1.3 | COc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314 | 10.1016/j.bmcl.2006.05.060 | |||
| 44414814 | 33103 | 0 | None | -1 | 2 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 379 | 3 | 1 | 6 | 1.3 | COc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314 | 10.1016/j.bmcl.2006.05.060 | |||
| CHEMBL1417 | 33103 | 0 | None | -1 | 2 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 379 | 3 | 1 | 6 | 1.3 | COc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314 | 10.1016/j.bmcl.2006.05.060 | |||
| 44437627 | 168970 | 0 | None | 3 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 584 | 13 | 0 | 7 | 6.4 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCN(C)Cc4ccccc4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL439035 | 168970 | 0 | None | 3 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 584 | 13 | 0 | 7 | 6.4 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCN(C)Cc4ccccc4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| 44394344 | 66177 | 0 | None | 14 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 383 | 2 | 1 | 3 | 2.5 | O=S1(=O)NCc2ccccc2N1C1CCN(C2Cc3ccccc3C2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL184328 | 66177 | 0 | None | 14 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 383 | 2 | 1 | 3 | 2.5 | O=S1(=O)NCc2ccccc2N1C1CCN(C2Cc3ccccc3C2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 9824313 | 30754 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 399 | 5 | 3 | 5 | 4.7 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(O)cc3)ccc2n1 | 10.1021/jm0002073 | |||
| CHEMBL139566 | 30754 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 399 | 5 | 3 | 5 | 4.7 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(O)cc3)ccc2n1 | 10.1021/jm0002073 | |||
| 44391063 | 96725 | 0 | None | -4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 497 | 7 | 2 | 6 | 5.7 | Cc1ccc(Cl)c(OC(C(O)CN2CCC(n3c(O)nc4ccccc43)CC2)C2CCCCC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL264288 | 96725 | 0 | None | -4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 497 | 7 | 2 | 6 | 5.7 | Cc1ccc(Cl)c(OC(C(O)CN2CCC(n3c(O)nc4ccccc43)CC2)C2CCCCC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| 90306863 | 110964 | 0 | None | -29512 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 488 | 5 | 2 | 6 | 3.9 | CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)c1ccncc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm401964y | |||
| CHEMBL3262377 | 110964 | 0 | None | -29512 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 488 | 5 | 2 | 6 | 3.9 | CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)c1ccncc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm401964y | |||
| 44253566 | 143638 | 0 | None | 6 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 352 | 6 | 1 | 3 | 3.8 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)CCO)CC1 | nan | |||
| CHEMBL3899856 | 143638 | 0 | None | 6 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 352 | 6 | 1 | 3 | 3.8 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)CCO)CC1 | nan | |||
| 44248917 | 103386 | 0 | None | 17 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 500 | 4 | 0 | 2 | 7.7 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ncccc1Br)C2 | 10.1021/jm9008218 | |||
| CHEMBL3084660 | 103386 | 0 | None | 17 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 500 | 4 | 0 | 2 | 7.7 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ncccc1Br)C2 | 10.1021/jm9008218 | |||
| 76327873 | 103331 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 501 | 5 | 1 | 3 | 5.8 | NC(=O)[C@@]1(c2ncc(F)cc2F)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084543 | 103331 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 501 | 5 | 1 | 3 | 5.8 | NC(=O)[C@@]1(c2ncc(F)cc2F)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 127043364 | 140376 | 0 | None | -22 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1575 | 43 | 26 | 18 | -2.1 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1=O | 10.1021/acs.jmedchem.5b01976 | |||
| CHEMBL3808523 | 140376 | 0 | None | -22 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1575 | 43 | 26 | 18 | -2.1 | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C1=O | 10.1021/acs.jmedchem.5b01976 | |||
| 10225083 | 166394 | 0 | None | 8 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 437 | 8 | 1 | 5 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL427683 | 166394 | 0 | None | 8 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 437 | 8 | 1 | 5 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| 25190585 | 179248 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 508 | 6 | 1 | 4 | 5.2 | NCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL472867 | 179248 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 508 | 6 | 1 | 4 | 5.2 | NCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 122179060 | 121403 | 0 | None | -912 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 521 | 5 | 2 | 5 | 5.4 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1cccc(Cl)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| CHEMBL3581756 | 121403 | 0 | None | -912 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 521 | 5 | 2 | 5 | 5.4 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1cccc(Cl)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| 46879992 | 6218 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 356 | 4 | 1 | 5 | 2.1 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1081374 | 6218 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 356 | 4 | 1 | 5 | 2.1 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 46880154 | 5511 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 7 | 1 | 5 | 2.6 | CNC(=O)Cn1c(=O)n(C2CCN(CCCC(C)C)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1076500 | 5511 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 7 | 1 | 5 | 2.6 | CNC(=O)Cn1c(=O)n(C2CCN(CCCC(C)C)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 10315818 | 87364 | 0 | None | 36 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.8 | OC1(c2cccs2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL233323 | 87364 | 0 | None | 36 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.8 | OC1(c2cccs2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 44252682 | 143586 | 0 | None | -15 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 430 | 7 | 1 | 3 | 4.8 | CN(C)C1(c2cccc(F)c2)CCC(C)(CNS(=O)(=O)/C=C/c2ccccc2)CC1 | nan | |||
| CHEMBL3899387 | 143586 | 0 | None | -15 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 430 | 7 | 1 | 3 | 4.8 | CN(C)C1(c2cccc(F)c2)CCC(C)(CNS(=O)(=O)/C=C/c2ccccc2)CC1 | nan | |||
| 25190580 | 180636 | 0 | None | 204 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 521 | 7 | 0 | 3 | 7.0 | CCCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL475496 | 180636 | 0 | None | 204 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 521 | 7 | 0 | 3 | 7.0 | CCCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 54580479 | 62646 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 419 | 8 | 1 | 4 | 4.2 | c1ccc(CN2CCC[C@@H]2CNCCCN2CCC3(CC2)OCc2ccccc23)cc1 | 10.1016/j.bmc.2009.05.068 | |||
| CHEMBL1783821 | 62646 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 419 | 8 | 1 | 4 | 4.2 | c1ccc(CN2CCC[C@@H]2CNCCCN2CCC3(CC2)OCc2ccccc23)cc1 | 10.1016/j.bmc.2009.05.068 | |||
| 46880117 | 5509 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 382 | 4 | 1 | 5 | 2.4 | CNC(=O)Cn1c(=O)n(C2CCN(C3CC4CCC3C4)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1076484 | 5509 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 382 | 4 | 1 | 5 | 2.4 | CNC(=O)Cn1c(=O)n(C2CCN(C3CC4CCC3C4)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 44337212 | 7733 | 0 | None | 81 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 378 | 7 | 1 | 2 | 5.6 | CCCCC(c1cc(F)cc(F)c1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL108900 | 7733 | 0 | None | 81 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 378 | 7 | 1 | 2 | 5.6 | CCCCC(c1cc(F)cc(F)c1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| 24894652 | 179036 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 348 | 3 | 0 | 3 | 4.4 | Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(=O)C2)CC1 | 10.1021/jm701590h | |||
| CHEMBL471301 | 179036 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 348 | 3 | 0 | 3 | 4.4 | Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(=O)C2)CC1 | 10.1021/jm701590h | |||
| 44438978 | 145806 | 0 | None | 16 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 433 | 4 | 1 | 3 | 4.5 | O=C1NCN(c2ccccc2)C12CCN(C(c1ccc(F)cc1)c1ccc(F)cc1)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL391703 | 145806 | 0 | None | 16 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 433 | 4 | 1 | 3 | 4.5 | O=C1NCN(c2ccccc2)C12CCN(C(c1ccc(F)cc1)c1ccc(F)cc1)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 68632581 | 148349 | 0 | None | -2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 365 | 8 | 1 | 2 | 5.4 | CN(C)C1(c2ccccc2)CCC(CO)(CCCCc2ccccc2)CC1 | nan | |||
| CHEMBL3937167 | 148349 | 0 | None | -2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 365 | 8 | 1 | 2 | 5.4 | CN(C)C1(c2ccccc2)CCC(CO)(CCCCc2ccccc2)CC1 | nan | |||
| 118662014 | 172866 | 0 | None | -2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 272 | 2 | 1 | 2 | 2.5 | CN(C)C1(c2ccccc2)CCC2(CC1)CNC(=O)C2 | 10.1021/acsmedchemlett.6b00277 | |||
| CHEMBL4515245 | 172866 | 0 | None | -2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 272 | 2 | 1 | 2 | 2.5 | CN(C)C1(c2ccccc2)CCC2(CC1)CNC(=O)C2 | 10.1021/acsmedchemlett.6b00277 | |||
| 44181744 | 103371 | 9 | None | 102 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 4 | 0 | 2 | 6.9 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccccn1)C2 | 10.1021/jm9008218 | |||
| CHEMBL3084634 | 103371 | 9 | None | 102 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 4 | 0 | 2 | 6.9 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccccn1)C2 | 10.1021/jm9008218 | |||
| 44249047 | 103374 | 0 | None | 57 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 4 | 0 | 2 | 6.9 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1cccnc1)C2 | 10.1021/jm9008218 | |||
| CHEMBL3084637 | 103374 | 0 | None | 57 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 422 | 4 | 0 | 2 | 6.9 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1cccnc1)C2 | 10.1021/jm9008218 | |||
| 44426835 | 85699 | 0 | None | 35 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 361 | 4 | 1 | 2 | 4.9 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2F)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL228802 | 85699 | 0 | None | 35 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 361 | 4 | 1 | 2 | 4.9 | OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2F)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 44426808 | 144726 | 0 | None | 5 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 323 | 6 | 1 | 2 | 4.9 | CCCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL390882 | 144726 | 0 | None | 5 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 323 | 6 | 1 | 2 | 4.9 | CCCCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 118718265 | 115300 | 0 | None | 74 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 493 | 6 | 1 | 3 | 6.2 | CC(=O)NC[C@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349248 | 115300 | 0 | None | 74 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 493 | 6 | 1 | 3 | 6.2 | CC(=O)NC[C@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 25190589 | 189142 | 0 | None | 44 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 590 | 8 | 1 | 4 | 7.1 | O=C1N(CCNC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL510745 | 189142 | 0 | None | 44 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 590 | 8 | 1 | 4 | 7.1 | O=C1N(CCNC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| 46879670 | 5968 | 0 | None | 2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 474 | 4 | 1 | 4 | 3.1 | CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC4CCCCC4C3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1079943 | 5968 | 0 | None | 2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 474 | 4 | 1 | 4 | 3.1 | CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC4CCCCC4C3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | |||
| 44437604 | 90653 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 495 | 11 | 0 | 7 | 5.2 | CCOCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL239045 | 90653 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 495 | 11 | 0 | 7 | 5.2 | CCOCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| 44437639 | 91229 | 0 | None | 57 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 522 | 11 | 1 | 7 | 4.4 | CCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL240085 | 91229 | 0 | None | 57 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 522 | 11 | 1 | 7 | 4.4 | CCNC(=O)Cn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| 44437623 | 145178 | 0 | None | 53 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 523 | 11 | 0 | 8 | 4.8 | COC(=O)CCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL391234 | 145178 | 0 | None | 53 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 523 | 11 | 0 | 8 | 4.8 | COC(=O)CCn1c(=O)n(C2CCN(CCC(Oc3cc(OC)ccc3C)C(C)C)CC2)c2ccccc21 | 10.1016/j.bmc.2006.11.030 | |||
| 44394487 | 65444 | 0 | None | 21 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 512 | 7 | 1 | 5 | 2.8 | CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CCNS(C)(=O)=O)S3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL182967 | 65444 | 0 | None | 21 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 512 | 7 | 1 | 5 | 2.8 | CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CCNS(C)(=O)=O)S3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 15512241 | 204862 | 0 | None | 10 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 397 | 2 | 1 | 3 | 4.2 | Cc1ccc(N2CNC(=O)C23CCN(C2Cc4cccc5cccc2c45)CC3)cc1 | 10.1016/s0960-894x(99)00385-6 | |||
| CHEMBL75676 | 204862 | 0 | None | 10 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 397 | 2 | 1 | 3 | 4.2 | Cc1ccc(N2CNC(=O)C23CCN(C2Cc4cccc5cccc2c45)CC3)cc1 | 10.1016/s0960-894x(99)00385-6 | |||
| 60154192 | 77598 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 416 | 5 | 0 | 4 | 3.7 | CN(C)C(=O)C(Cc1ccccc1F)CN1CCC2(CC1)OCCc1ccsc12 | 10.1021/jm201629q | |||
| CHEMBL2088043 | 77598 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 416 | 5 | 0 | 4 | 3.7 | CN(C)C(=O)C(Cc1ccccc1F)CN1CCC2(CC1)OCCc1ccsc12 | 10.1021/jm201629q | |||
| 44574586 | 189321 | 0 | None | 102 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 453 | 4 | 1 | 4 | 5.7 | Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(c2ccncn2)C3)c(Cl)c1 | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL512411 | 189321 | 0 | None | 102 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 453 | 4 | 1 | 4 | 5.7 | Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(c2ccncn2)C3)c(Cl)c1 | 10.1016/j.bmcl.2009.03.031 | |||
| 46880089 | 7546 | 0 | None | 53 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 398 | 4 | 1 | 5 | 3.2 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C)(C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1087532 | 7546 | 0 | None | 53 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 398 | 4 | 1 | 5 | 3.2 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C)(C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 9799433 | 90464 | 1 | None | -4 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 368 | 4 | 0 | 2 | 5.2 | CCC1C(=O)N(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2013.03.101 | |||
| CHEMBL2387196 | 90464 | 1 | None | -4 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 368 | 4 | 0 | 2 | 5.2 | CCC1C(=O)N(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2013.03.101 | |||
| 44574790 | 189460 | 0 | None | 19 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 488 | 5 | 1 | 3 | 6.8 | Clc1ccccc1C(c1ccccc1Cl)N1C2CCC1CC(c1ccccc1)(c1nc[nH]n1)C2 | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL513660 | 189460 | 0 | None | 19 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 488 | 5 | 1 | 3 | 6.8 | Clc1ccccc1C(c1ccccc1Cl)N1C2CCC1CC(c1ccccc1)(c1nc[nH]n1)C2 | 10.1016/j.bmcl.2009.03.031 | |||
| 70686907 | 77384 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 420 | 5 | 1 | 4 | 3.5 | CNC(=O)C(Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm201629q | |||
| CHEMBL2086647 | 77384 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 420 | 5 | 1 | 4 | 3.5 | CNC(=O)C(Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm201629q | |||
| 52952043 | 83595 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 420 | 5 | 1 | 4 | 3.5 | CNC(=O)[C@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm101487v | |||
| CHEMBL2204349 | 83595 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 420 | 5 | 1 | 4 | 3.5 | CNC(=O)[C@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm101487v | |||
| 44253138 | 143215 | 0 | None | 138 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 538 | 9 | 1 | 8 | 6.1 | CNc1nc(Oc2ccc(OC)cc2)nc(N(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)n1 | nan | |||
| CHEMBL3896402 | 143215 | 0 | None | 138 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 538 | 9 | 1 | 8 | 6.1 | CNc1nc(Oc2ccc(OC)cc2)nc(N(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)n1 | nan | |||
| 25190607 | 179032 | 0 | None | 26 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 431 | 4 | 0 | 3 | 5.4 | CCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL471262 | 179032 | 0 | None | 26 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 431 | 4 | 0 | 3 | 5.4 | CCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 9924406 | 113987 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 4.7 | CN(C)C1(c2ccccc2)CCC(NCc2c[nH]c3ccccc23)CC1 | 10.1021/ml500116x | |||
| CHEMBL3326221 | 113987 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 347 | 5 | 2 | 2 | 4.7 | CN(C)C1(c2ccccc2)CCC(NCc2c[nH]c3ccccc23)CC1 | 10.1021/ml500116x | |||
| 118711243 | 120553 | 0 | None | -2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 336 | 5 | 1 | 2 | 3.7 | CN(C)C1(c2ccccc2)CCC(NC(=O)Cc2ccccc2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3325880 | 120553 | 0 | None | -2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 336 | 5 | 1 | 2 | 3.7 | CN(C)C1(c2ccccc2)CCC(NC(=O)Cc2ccccc2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3545618 | 120553 | 0 | None | -2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 336 | 5 | 1 | 2 | 3.7 | CN(C)C1(c2ccccc2)CCC(NC(=O)Cc2ccccc2)CC1 | 10.1021/ml500116x | |||
| 44430049 | 87930 | 0 | None | 33 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 364 | 3 | 2 | 3 | 4.2 | CC1(C)CCC(N2CCC(O)(c3ccccc3CN)CC2)c2ccccc21 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL233957 | 87930 | 0 | None | 33 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 364 | 3 | 2 | 3 | 4.2 | CC1(C)CCC(N2CCC(O)(c3ccccc3CN)CC2)c2ccccc21 | 10.1016/j.bmcl.2007.03.062 | |||
| 46880090 | 7557 | 0 | None | 14 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 426 | 4 | 1 | 5 | 3.8 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C(C)(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1087658 | 7557 | 0 | None | 14 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 426 | 4 | 1 | 5 | 3.8 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCC(C(C)(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 10024362 | 80292 | 0 | None | 28 | 3 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 407 | 3 | 1 | 7 | 1.2 | CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314 | 10.1016/j.bmcl.2006.05.060 | |||
| 44414842 | 80292 | 0 | None | 28 | 3 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 407 | 3 | 1 | 7 | 1.2 | CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314 | 10.1016/j.bmcl.2006.05.060 | |||
| CHEMBL214040 | 80292 | 0 | None | 28 | 3 | Guinea pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 407 | 3 | 1 | 7 | 1.2 | CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314 | 10.1016/j.bmcl.2006.05.060 | |||
| 127034023 | 139152 | 0 | None | 52 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 331 | 2 | 0 | 1 | 4.8 | c1ccc2c(c1)CCC(CN1CCC3(CCc4ccccc43)CC1)C2 | 10.1016/j.ejmech.2016.02.014 | |||
| CHEMBL3787174 | 139152 | 0 | None | 52 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 331 | 2 | 0 | 1 | 4.8 | c1ccc2c(c1)CCC(CN1CCC3(CCc4ccccc43)CC1)C2 | 10.1016/j.ejmech.2016.02.014 | |||
| 70690755 | 76649 | 0 | None | 25 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 419 | 5 | 0 | 3 | 3.6 | Cc1ccccc1C1CCN(CCC(=O)N2c3ccccc3CC2C(=O)N(C)C)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| CHEMBL2064130 | 76649 | 0 | None | 25 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 419 | 5 | 0 | 3 | 3.6 | Cc1ccccc1C1CCN(CCC(=O)N2c3ccccc3CC2C(=O)N(C)C)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| 9954388 | 99537 | 1 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 429 | 2 | 1 | 3 | 4.3 | O=C1NCN(c2ccccc2)C12CCN(C1CCc3c(Cl)ccc(Cl)c3C1)CC2 | 10.1021/jm991129q | |||
| CHEMBL283480 | 99537 | 1 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 429 | 2 | 1 | 3 | 4.3 | O=C1NCN(c2ccccc2)C12CCN(C1CCc3c(Cl)ccc(Cl)c3C1)CC2 | 10.1021/jm991129q | |||
| 25128942 | 128197 | 0 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 377 | 2 | 1 | 4 | 3.5 | O=c1[nH]c2ccccc2n([C@H]2C[C@H]3C=C[C@@H](C2)N3C2/C=C\CCCCC2)c1=O | nan | |||
| CHEMBL3665443 | 128197 | 0 | None | 21 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 377 | 2 | 1 | 4 | 3.5 | O=c1[nH]c2ccccc2n([C@H]2C[C@H]3C=C[C@@H](C2)N3C2/C=C\CCCCC2)c1=O | nan | |||
| 52951940 | 77590 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 406 | 5 | 1 | 4 | 3.2 | NC(=O)[C@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm201629q | |||
| CHEMBL2088032 | 77590 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 406 | 5 | 1 | 4 | 3.2 | NC(=O)[C@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm201629q | |||
| 52951940 | 77590 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 406 | 5 | 1 | 4 | 3.2 | NC(=O)[C@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm101487v | |||
| CHEMBL2088032 | 77590 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 406 | 5 | 1 | 4 | 3.2 | NC(=O)[C@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm101487v | |||
| 11451023 | 107220 | 0 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 2 | 0 | 2 | 4.4 | O=C1Cc2ccccc2N1C1CCN(C2CCC3CCCCC3C2)CC1 | 10.1021/jm034249d | |||
| CHEMBL316699 | 107220 | 0 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 2 | 0 | 2 | 4.4 | O=C1Cc2ccccc2N1C1CCN(C2CCC3CCCCC3C2)CC1 | 10.1021/jm034249d | |||
| 127034022 | 139001 | 0 | None | 8 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 333 | 2 | 0 | 2 | 4.2 | c1ccc2c(c1)CC(CN1CCC3(CCc4ccccc43)CC1)CO2 | 10.1016/j.ejmech.2016.02.014 | |||
| CHEMBL3785605 | 139001 | 0 | None | 8 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 333 | 2 | 0 | 2 | 4.2 | c1ccc2c(c1)CC(CN1CCC3(CCc4ccccc43)CC1)CO2 | 10.1016/j.ejmech.2016.02.014 | |||
| 10066285 | 191727 | 0 | None | -5 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 347 | 2 | 1 | 4 | 4.7 | Oc1nc2ccccc2n1[C@@H]1CCN2[C@H](c3ccccc3)CCC[C@@H]2C1 | 10.1016/j.bmcl.2003.09.068 | |||
| CHEMBL51972 | 191727 | 0 | None | -5 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 347 | 2 | 1 | 4 | 4.7 | Oc1nc2ccccc2n1[C@@H]1CCN2[C@H](c3ccccc3)CCC[C@@H]2C1 | 10.1016/j.bmcl.2003.09.068 | |||
| 46179069 | 125795 | 0 | None | 117 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 421 | 3 | 1 | 5 | 4.2 | O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O | nan | |||
| CHEMBL3647959 | 125795 | 0 | None | 117 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 421 | 3 | 1 | 5 | 4.2 | O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CC3CCCC(C3)C2)c1=O | nan | |||
| 10548749 | 172429 | 0 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 395 | 2 | 1 | 3 | 3.6 | O=C1NCN(c2ccccc2)C12CCN(C1CCc3ccc(Cl)cc3C1)CC2 | 10.1021/jm991129q | |||
| CHEMBL447779 | 172429 | 0 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 395 | 2 | 1 | 3 | 3.6 | O=C1NCN(c2ccccc2)C12CCN(C1CCc3ccc(Cl)cc3C1)CC2 | 10.1021/jm991129q | |||
| 118662309 | 171488 | 0 | None | 5 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 328 | 4 | 0 | 2 | 4.0 | CCCC(=O)N1CCC2(CCC(c3ccccc3)(N(C)C)CC2)C1 | 10.1021/acsmedchemlett.6b00277 | |||
| CHEMBL4463703 | 171488 | 0 | None | 5 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 328 | 4 | 0 | 2 | 4.0 | CCCC(=O)N1CCC2(CCC(c3ccccc3)(N(C)C)CC2)C1 | 10.1021/acsmedchemlett.6b00277 | |||
| 136036819 | 95919 | 0 | None | 4 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 534 | 10 | 2 | 8 | 3.7 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4n[nH]c(=O)[nH]4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL259291 | 95919 | 0 | None | 4 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 534 | 10 | 2 | 8 | 3.7 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4n[nH]c(=O)[nH]4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 44451872 | 96058 | 0 | None | 12 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 529 | 10 | 0 | 8 | 5.1 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cnccn4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL259964 | 96058 | 0 | None | 12 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 529 | 10 | 0 | 8 | 5.1 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cnccn4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 44430081 | 148977 | 0 | None | 20 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 510 | 6 | 1 | 4 | 5.9 | OC1(c2ccccc2CN2CCOCC2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL394222 | 148977 | 0 | None | 20 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 510 | 6 | 1 | 4 | 5.9 | OC1(c2ccccc2CN2CCOCC2)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 118718281 | 115317 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 5 | 1 | 3 | 6.3 | Cc1cccnc1[C@@]1(CN)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349265 | 115317 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 5 | 1 | 3 | 6.3 | Cc1cccnc1[C@@]1(CN)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 118718298 | 115335 | 1 | None | 23 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 448 | 3 | 1 | 2 | 7.1 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@]1(CNc3ccccc31)C2 | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349283 | 115335 | 1 | None | 23 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 448 | 3 | 1 | 2 | 7.1 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@]1(CNc3ccccc31)C2 | 10.1016/j.bmcl.2008.10.088 | |||
| 9802205 | 116533 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 383 | 5 | 2 | 4 | 5.0 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccccc3)ccc2n1 | 10.1021/jm0002073 | |||
| CHEMBL336238 | 116533 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 383 | 5 | 2 | 4 | 5.0 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccccc3)ccc2n1 | 10.1021/jm0002073 | |||
| 1222 | 1662 | 49 | None | -194 | 33 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2008.12.092 | |||
| 3396 | 1662 | 49 | None | -194 | 33 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2008.12.092 | |||
| 85 | 1662 | 49 | None | -194 | 33 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL46516 | 1662 | 49 | None | -194 | 33 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2008.12.092 | |||
| DB04842 | 1662 | 49 | None | -194 | 33 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL265392 | 210642 | 0 | None | - | 1 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O | 10.1021/jm010221v | |||||
| 10052051 | 66975 | 0 | None | -3162 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 510 | 7 | 1 | 3 | 5.5 | CN(C)C(=O)C(CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2004.08.032 | |||
| CHEMBL186795 | 66975 | 0 | None | -3162 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 510 | 7 | 1 | 3 | 5.5 | CN(C)C(=O)C(CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2004.08.032 | |||
| 44391102 | 123769 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 533 | 7 | 1 | 7 | 6.6 | Cc1ccc(Cl)c(OC2(C(CN3CCC(n4c(O)nc5ccccc54)CC3)n3ccnc3)CCCCC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL362240 | 123769 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 533 | 7 | 1 | 7 | 6.6 | Cc1ccc(Cl)c(OC2(C(CN3CCC(n4c(O)nc5ccccc54)CC3)n3ccnc3)CCCCC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| 44252537 | 153838 | 0 | None | -2 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 379 | 5 | 1 | 2 | 4.6 | CCNC(=O)N(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| CHEMBL3982674 | 153838 | 0 | None | -2 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 379 | 5 | 1 | 2 | 4.6 | CCNC(=O)N(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| 10133108 | 79105 | 0 | None | 4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 359 | 2 | 1 | 2 | 4.1 | O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(C2CCC3CCCCC3C2)CC1 | 10.1016/j.bmcl.2003.11.083 | |||
| CHEMBL2113262 | 79105 | 0 | None | 4 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 359 | 2 | 1 | 2 | 4.1 | O=C1N[C@@H]2CCCC[C@H]2N1C1CCN(C2CCC3CCCCC3C2)CC1 | 10.1016/j.bmcl.2003.11.083 | |||
| 24776404 | 97995 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 3 | 0 | 2 | 6.2 | CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2ccccc23)CC1 | 10.1021/jm7009606 | |||
| CHEMBL272805 | 97995 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 3 | 0 | 2 | 6.2 | CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2ccccc23)CC1 | 10.1021/jm7009606 | |||
| 10093682 | 86764 | 2 | None | 20 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 421 | 4 | 1 | 2 | 5.5 | OC1(c2ccc(Br)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL232067 | 86764 | 2 | None | 20 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 421 | 4 | 1 | 2 | 5.5 | OC1(c2ccc(Br)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 24894783 | 186719 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 352 | 3 | 2 | 4 | 2.8 | Cc1ccccc1[C@H]1CCN(C[C@@H]2Cc3cccnc3[C@@H](O)C2)C[C@@H]1O | 10.1021/jm701590h | |||
| CHEMBL488655 | 186719 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 352 | 3 | 2 | 4 | 2.8 | Cc1ccccc1[C@H]1CCN(C[C@@H]2Cc3cccnc3[C@@H](O)C2)C[C@@H]1O | 10.1021/jm701590h | |||
| 25129301 | 128196 | 0 | None | 239 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 370 | 2 | 1 | 4 | 3.3 | O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2cccnc2N1 | nan | |||
| CHEMBL3665441 | 128196 | 0 | None | 239 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 370 | 2 | 1 | 4 | 3.3 | O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2cccnc2N1 | nan | |||
| 9969865 | 65746 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 377 | 4 | 1 | 3 | 4.0 | CCCC1CCC(N2CCC(N3c4ccccc4NS3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL183464 | 65746 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 377 | 4 | 1 | 3 | 4.0 | CCCC1CCC(N2CCC(N3c4ccccc4NS3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 12114744 | 78005 | 0 | None | 1 | 2 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 469 | 4 | 1 | 7 | 2.5 | CN1CC[C@]23c4c5ccc(OC(=O)c6ccccc6)c4O[C@H]2[C@@H](OS(=O)(=O)O)C=C[C@H]3[C@H]1C5 | 10.1016/j.bmcl.2006.05.060 | |||
| 44414877 | 78005 | 0 | None | 1 | 2 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 469 | 4 | 1 | 7 | 2.5 | CN1CC[C@]23c4c5ccc(OC(=O)c6ccccc6)c4O[C@H]2[C@@H](OS(=O)(=O)O)C=C[C@H]3[C@H]1C5 | 10.1016/j.bmcl.2006.05.060 | |||
| CHEMBL209751 | 78005 | 0 | None | 1 | 2 | Guinea pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 469 | 4 | 1 | 7 | 2.5 | CN1CC[C@]23c4c5ccc(OC(=O)c6ccccc6)c4O[C@H]2[C@@H](OS(=O)(=O)O)C=C[C@H]3[C@H]1C5 | 10.1016/j.bmcl.2006.05.060 | |||
| 44391067 | 63457 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 425 | 7 | 1 | 5 | 5.3 | Cc1cc(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)ccc1F | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL179797 | 63457 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 425 | 7 | 1 | 5 | 5.3 | Cc1cc(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)C(C)C)ccc1F | 10.1016/j.bmcl.2004.11.049 | |||
| 44413361 | 138379 | 0 | None | 16 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 370 | 2 | 1 | 1 | 5.9 | Fc1ccc2c(C3CCN(C4Cc5cccc6cccc4c56)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.03.094 | |||
| CHEMBL377237 | 138379 | 0 | None | 16 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 370 | 2 | 1 | 1 | 5.9 | Fc1ccc2c(C3CCN(C4Cc5cccc6cccc4c56)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2006.03.094 | |||
| 12985907 | 120404 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 355 | 4 | 1 | 3 | 3.8 | CCC[C@H]1CC[C@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 | 10.1016/s0960-894x(00)00111-6 | |||
| CHEMBL353608 | 120404 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 355 | 4 | 1 | 3 | 3.8 | CCC[C@H]1CC[C@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 | 10.1016/s0960-894x(00)00111-6 | |||
| 25128941 | 128187 | 0 | None | 81 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 394 | 3 | 0 | 6 | 3.4 | N#CCn1c(=O)c(=O)n(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 | nan | |||
| CHEMBL3665433 | 128187 | 0 | None | 81 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 394 | 3 | 0 | 6 | 3.4 | N#CCn1c(=O)c(=O)n(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 | nan | |||
| 44253137 | 150085 | 0 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 445 | 7 | 2 | 7 | 4.3 | CNc1nc(NC)nc(N(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)n1 | nan | |||
| CHEMBL3950879 | 150085 | 0 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 445 | 7 | 2 | 7 | 4.3 | CNc1nc(NC)nc(N(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)n1 | nan | |||
| 44426828 | 85695 | 0 | None | 51 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccc(C(c2ccccc2)N2CCC(O)(c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL228793 | 85695 | 0 | None | 51 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccc(C(c2ccccc2)N2CCC(O)(c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2007.03.061 | |||
| 25190576 | 189749 | 0 | None | 35 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 6 | 0 | 3 | 5.7 | O=C1N(CC2CCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL515901 | 189749 | 0 | None | 35 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 6 | 0 | 3 | 5.7 | O=C1N(CC2CCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| 44252538 | 149385 | 0 | None | 10 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 314 | 4 | 1 | 3 | 4.2 | CNC1(c2ccccc2)CCC(c2cccs2)(N(C)C)CC1 | nan | |||
| CHEMBL3945501 | 149385 | 0 | None | 10 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 314 | 4 | 1 | 3 | 4.2 | CNC1(c2ccccc2)CCC(c2cccs2)(N(C)C)CC1 | nan | |||
| 68629836 | 153269 | 0 | None | -7 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 314 | 5 | 1 | 2 | 4.6 | CNC1(c2ccccc2)CCC(CC2CCCC2)(N(C)C)CC1 | nan | |||
| CHEMBL3977691 | 153269 | 0 | None | -7 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 314 | 5 | 1 | 2 | 4.6 | CNC1(c2ccccc2)CCC(CC2CCCC2)(N(C)C)CC1 | nan | |||
| 44297697 | 101734 | 0 | None | -30 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 375 | 3 | 0 | 4 | 4.8 | CCn1c(=O)n([C@H]2CCN3[C@H](c4ccccc4)CCC[C@@H]3C2)c2ccccc21 | 10.1016/j.bmcl.2003.09.068 | |||
| CHEMBL299660 | 101734 | 0 | None | -30 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 375 | 3 | 0 | 4 | 4.8 | CCn1c(=O)n([C@H]2CCN3[C@H](c4ccccc4)CCC[C@@H]3C2)c2ccccc21 | 10.1016/j.bmcl.2003.09.068 | |||
| 10043898 | 85726 | 0 | None | 6 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 357 | 5 | 0 | 2 | 5.4 | COC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL228965 | 85726 | 0 | None | 6 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 357 | 5 | 0 | 2 | 5.4 | COC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 44402704 | 126387 | 0 | None | -17 | 3 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 373 | 2 | 0 | 3 | 4.7 | CN(C)C[C@@H]1C[C@H]2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1 | 10.1016/j.bmcl.2005.03.076 | |||
| CHEMBL365101 | 126387 | 0 | None | -17 | 3 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 373 | 2 | 0 | 3 | 4.7 | CN(C)C[C@@H]1C[C@H]2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1 | 10.1016/j.bmcl.2005.03.076 | |||
| 24799848 | 97699 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 436 | 6 | 1 | 2 | 5.7 | CC(C)C1CCC(N2CCC(C(=O)NCc3ccccc3)(c3ccc(F)cc3)CC2)CC1 | 10.1021/jm7009606 | |||
| CHEMBL271341 | 97699 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 436 | 6 | 1 | 2 | 5.7 | CC(C)C1CCC(N2CCC(C(=O)NCc3ccccc3)(c3ccc(F)cc3)CC2)CC1 | 10.1021/jm7009606 | |||
| 9924923 | 148682 | 0 | None | 16 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL393985 | 148682 | 0 | None | 16 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 5.1 | Cc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2007.03.062 | |||
| 118718263 | 115298 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 492 | 7 | 0 | 2 | 7.5 | CN(C)C[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349246 | 115298 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 492 | 7 | 0 | 2 | 7.5 | CN(C)C[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 44413286 | 139062 | 0 | None | 3 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 325 | 3 | 1 | 2 | 5.1 | c1cnc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1 | 10.1016/j.bmcl.2006.03.094 | |||
| CHEMBL378633 | 139062 | 0 | None | 3 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 325 | 3 | 1 | 2 | 5.1 | c1cnc2[nH]cc(C3CCN(CC4CCCCCCC4)CC3)c2c1 | 10.1016/j.bmcl.2006.03.094 | |||
| 76331525 | 103345 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 542 | 6 | 1 | 3 | 7.7 | COC(=O)N[C@@]1(Cc2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084558 | 103345 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 542 | 6 | 1 | 3 | 7.7 | COC(=O)N[C@@]1(Cc2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 25190581 | 180639 | 0 | None | 199 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 535 | 7 | 0 | 3 | 7.3 | CC(C)CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL475497 | 180639 | 0 | None | 199 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 535 | 7 | 0 | 3 | 7.3 | CC(C)CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 122179057 | 121400 | 0 | None | -398 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 501 | 5 | 2 | 5 | 5.0 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccc(C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| CHEMBL3581753 | 121400 | 0 | None | -398 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 501 | 5 | 2 | 5 | 5.0 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccc(C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| 122179058 | 121401 | 0 | None | -794 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 505 | 5 | 2 | 5 | 4.9 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccc(F)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| CHEMBL3581754 | 121401 | 0 | None | -794 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 505 | 5 | 2 | 5 | 4.9 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccc(F)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| 25128942 | 128198 | 0 | None | 12 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 377 | 2 | 1 | 4 | 3.5 | O=c1[nH]c2ccccc2n([C@@H]2C[C@H]3C=C[C@@H](C2)N3C2/C=C\CCCCC2)c1=O | nan | |||
| CHEMBL3665444 | 128198 | 0 | None | 12 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 377 | 2 | 1 | 4 | 3.5 | O=c1[nH]c2ccccc2n([C@@H]2C[C@H]3C=C[C@@H](C2)N3C2/C=C\CCCCC2)c1=O | nan | |||
| 22562132 | 168460 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 369 | 2 | 1 | 3 | 2.8 | O=S1(=O)Nc2ccccc2N1C1CCN(C2Cc3ccccc3C2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL435091 | 168460 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 369 | 2 | 1 | 3 | 2.8 | O=S1(=O)Nc2ccccc2N1C1CCN(C2Cc3ccccc3C2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 44252988 | 146136 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 352 | 5 | 0 | 3 | 4.5 | COc1ccc(C2(N(C)C)CCC(c3ccccc3)(N(C)C)CC2)cc1 | nan | |||
| CHEMBL3919659 | 146136 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 352 | 5 | 0 | 3 | 4.5 | COc1ccc(C2(N(C)C)CCC(c3ccccc3)(N(C)C)CC2)cc1 | nan | |||
| 44413385 | 77654 | 0 | None | 4 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 386 | 2 | 1 | 1 | 6.5 | Clc1cccc2c(C3CCN(C4Cc5cccc6cccc4c56)CC3)c[nH]c12 | 10.1016/j.bmcl.2006.03.094 | |||
| CHEMBL208862 | 77654 | 0 | None | 4 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 386 | 2 | 1 | 1 | 6.5 | Clc1cccc2c(C3CCN(C4Cc5cccc6cccc4c56)CC3)c[nH]c12 | 10.1016/j.bmcl.2006.03.094 | |||
| 25190574 | 189583 | 0 | None | 13 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 453 | 7 | 0 | 3 | 5.7 | CCCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL514606 | 189583 | 0 | None | 13 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 453 | 7 | 0 | 3 | 5.7 | CCCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 10286440 | 5225 | 0 | None | 14 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 314 | 5 | 1 | 2 | 4.6 | CCC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL106235 | 5225 | 0 | None | 14 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 314 | 5 | 1 | 2 | 4.6 | CCC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| 122179063 | 121406 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 493 | 5 | 2 | 6 | 4.8 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1cccs1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| CHEMBL3581761 | 121406 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 493 | 5 | 2 | 6 | 4.8 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1cccs1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| 10172398 | 7730 | 0 | None | 2 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 360 | 5 | 1 | 2 | 5.0 | Cc1ccc([C@H](N)[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1F | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL108894 | 7730 | 0 | None | 2 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 360 | 5 | 1 | 2 | 5.0 | Cc1ccc([C@H](N)[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1F | 10.1016/s0960-894x(02)00652-2 | |||
| 118718278 | 115314 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 536 | 7 | 0 | 2 | 8.2 | Fc1ccc(C[C@@]2(CN3CCCC3)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)cc1 | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349262 | 115314 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 536 | 7 | 0 | 2 | 8.2 | Fc1ccc(C[C@@]2(CN3CCCC3)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)cc1 | 10.1016/j.bmcl.2008.10.088 | |||
| 24894431 | 191189 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 350 | 3 | 1 | 3 | 4.1 | CC1(c2ccccc2)CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 | 10.1021/jm701590h | |||
| CHEMBL518922 | 191189 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 350 | 3 | 1 | 3 | 4.1 | CC1(c2ccccc2)CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 | 10.1021/jm701590h | |||
| 54580478 | 62642 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 393 | 7 | 2 | 4 | 2.6 | N[C@H](Cc1ccccc1)C(=O)NCCCN1CCC2(CC1)OCc1ccccc12 | 10.1016/j.bmc.2009.05.068 | |||
| CHEMBL1783817 | 62642 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 393 | 7 | 2 | 4 | 2.6 | N[C@H](Cc1ccccc1)C(=O)NCCCN1CCC2(CC1)OCc1ccccc12 | 10.1016/j.bmc.2009.05.068 | |||
| 54585395 | 62643 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 393 | 7 | 2 | 4 | 2.6 | N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCC2(CC1)OCc1ccccc12 | 10.1016/j.bmc.2009.05.068 | |||
| CHEMBL1783818 | 62643 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 393 | 7 | 2 | 4 | 2.6 | N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCC2(CC1)OCc1ccccc12 | 10.1016/j.bmc.2009.05.068 | |||
| 57502917 | 128190 | 0 | None | -1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 440 | 3 | 1 | 6 | 3.3 | O=c1[nH]c2ccc(N3CCOCC3)cc2n(C2CCN(C3CCCCCCC3)CC2)c1=O | nan | |||
| CHEMBL3665436 | 128190 | 0 | None | -1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 440 | 3 | 1 | 6 | 3.3 | O=c1[nH]c2ccc(N3CCOCC3)cc2n(C2CCN(C3CCCCCCC3)CC2)c1=O | nan | |||
| 10384734 | 154973 | 0 | None | 17 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 373 | 5 | 1 | 3 | 4.8 | COc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL401234 | 154973 | 0 | None | 17 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 373 | 5 | 1 | 3 | 4.8 | COc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2007.03.062 | |||
| 10022129 | 85735 | 0 | None | 6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 6 | 0 | 2 | 5.8 | CCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL229016 | 85735 | 0 | None | 6 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 371 | 6 | 0 | 2 | 5.8 | CCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 44395306 | 66870 | 0 | None | -2570 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 463 | 7 | 1 | 4 | 5.2 | COC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2004.08.032 | |||
| CHEMBL186300 | 66870 | 0 | None | -2570 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 463 | 7 | 1 | 4 | 5.2 | COC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2004.08.032 | |||
| 44252241 | 148206 | 0 | None | 100 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 322 | 4 | 0 | 2 | 4.5 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| CHEMBL3935944 | 148206 | 0 | None | 100 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 322 | 4 | 0 | 2 | 4.5 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| 16061455 | 103380 | 0 | None | 194 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 423 | 4 | 0 | 3 | 6.3 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ncccn1)C2 | 10.1021/jm9008218 | |||
| CHEMBL3084649 | 103380 | 0 | None | 194 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 423 | 4 | 0 | 3 | 6.3 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ncccn1)C2 | 10.1021/jm9008218 | |||
| 44426840 | 85718 | 0 | None | 24 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 379 | 4 | 1 | 2 | 5.0 | OC1(c2ccccc2)CCN(C(c2ccccc2F)c2ccccc2F)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL228912 | 85718 | 0 | None | 24 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 379 | 4 | 1 | 2 | 5.0 | OC1(c2ccccc2)CCN(C(c2ccccc2F)c2ccccc2F)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 16733371 | 115301 | 0 | None | 123 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 479 | 7 | 1 | 3 | 6.7 | CCNC[C@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349249 | 115301 | 0 | None | 123 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 479 | 7 | 1 | 3 | 6.7 | CCNC[C@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 118718289 | 115325 | 0 | None | 112 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 450 | 5 | 1 | 2 | 6.6 | NC[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349273 | 115325 | 0 | None | 112 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 450 | 5 | 1 | 2 | 6.6 | NC[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 44561518 | 189452 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 363 | 3 | 1 | 2 | 5.2 | Cc1ccccc1C1CCN(C[C@@H]2CCc3c(C)cccc3[C@@H](O)C2)CC1 | 10.1021/jm701590h | |||
| CHEMBL513585 | 189452 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 363 | 3 | 1 | 2 | 5.2 | Cc1ccccc1C1CCN(C[C@@H]2CCc3c(C)cccc3[C@@H](O)C2)CC1 | 10.1021/jm701590h | |||
| 44574743 | 178599 | 0 | None | 95 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 494 | 5 | 1 | 3 | 7.0 | COC(=O)NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL467313 | 178599 | 0 | None | 95 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 494 | 5 | 1 | 3 | 7.0 | COC(=O)NC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 44574705 | 178785 | 0 | None | 104 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 451 | 5 | 1 | 2 | 6.6 | OCC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL468952 | 178785 | 0 | None | 104 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 451 | 5 | 1 | 2 | 6.6 | OCC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 76324310 | 103321 | 0 | None | 4 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 479 | 5 | 1 | 3 | 5.8 | Cc1ccc([C@]2(C(N)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1 | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084532 | 103321 | 0 | None | 4 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 479 | 5 | 1 | 3 | 5.8 | Cc1ccc([C@]2(C(N)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1 | 10.1016/j.bmcl.2009.03.057 | |||
| 76320665 | 103336 | 0 | None | 51 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 479 | 5 | 1 | 3 | 6.1 | CC(=O)N[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084549 | 103336 | 0 | None | 51 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 479 | 5 | 1 | 3 | 6.1 | CC(=O)N[C@@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 10020165 | 107290 | 1 | None | 2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.4 | O=C1Cc2ccccc2N1C1CCN(CC2CCCCCCC2)CC1 | 10.1021/acs.jmedchem.5b00982 | |||
| CHEMBL317152 | 107290 | 1 | None | 2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.4 | O=C1Cc2ccccc2N1C1CCN(CC2CCCCCCC2)CC1 | 10.1021/acs.jmedchem.5b00982 | |||
| 44437617 | 154976 | 0 | None | 16 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 523 | 11 | 0 | 8 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCOC(C)=O)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| CHEMBL401248 | 154976 | 0 | None | 16 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 523 | 11 | 0 | 8 | 4.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(CCOC(C)=O)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2006.11.030 | |||
| 10020165 | 107290 | 1 | None | 2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.4 | O=C1Cc2ccccc2N1C1CCN(CC2CCCCCCC2)CC1 | 10.1021/jm034249d | |||
| CHEMBL317152 | 107290 | 1 | None | 2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.4 | O=C1Cc2ccccc2N1C1CCN(CC2CCCCCCC2)CC1 | 10.1021/jm034249d | |||
| 10385808 | 66140 | 0 | None | 33 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 391 | 3 | 1 | 3 | 3.5 | CC(C)C1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL184127 | 66140 | 0 | None | 33 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 391 | 3 | 1 | 3 | 3.5 | CC(C)C1CCC(N2CCC(N3c4ccccc4CNS3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 10832445 | 97430 | 0 | None | 2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 361 | 2 | 1 | 3 | 3.0 | O=C1NCN(c2ccccc2)C12CCN(C1CCc3ccccc3C1)CC2 | 10.1021/jm991129q | |||
| CHEMBL26999 | 97430 | 0 | None | 2 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 361 | 2 | 1 | 3 | 3.0 | O=C1NCN(c2ccccc2)C12CCN(C1CCc3ccccc3C1)CC2 | 10.1021/jm991129q | |||
| 44438974 | 91127 | 0 | None | 89 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 433 | 4 | 1 | 3 | 4.5 | O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1F)c1ccccc1F)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL239820 | 91127 | 0 | None | 89 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 433 | 4 | 1 | 3 | 4.5 | O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1F)c1ccccc1F)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 44414829 | 33223 | 6 | None | 2 | 3 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 365 | 2 | 2 | 6 | 1.0 | CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OS(=O)(=O)O)C=C[C@H]3[C@H]1C5 | 10.1016/j.bmcl.2006.05.060 | |||
| 5484063 | 33223 | 6 | None | 2 | 3 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 365 | 2 | 2 | 6 | 1.0 | CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OS(=O)(=O)O)C=C[C@H]3[C@H]1C5 | 10.1016/j.bmcl.2006.05.060 | |||
| CHEMBL1418 | 33223 | 6 | None | 2 | 3 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 365 | 2 | 2 | 6 | 1.0 | CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OS(=O)(=O)O)C=C[C@H]3[C@H]1C5 | 10.1016/j.bmcl.2006.05.060 | |||
| 46879539 | 5492 | 0 | None | 53 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 448 | 5 | 1 | 4 | 3.0 | CNC(=O)CN1c2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1076242 | 5492 | 0 | None | 53 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 448 | 5 | 1 | 4 | 3.0 | CNC(=O)CN1c2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | |||
| 10788833 | 31047 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 431 | 5 | 1 | 4 | 5.6 | Cc1cc(N)c2cc(N(C)C(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1 | 10.1021/jm0002073 | |||
| CHEMBL139934 | 31047 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 431 | 5 | 1 | 4 | 5.6 | Cc1cc(N)c2cc(N(C)C(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2n1 | 10.1021/jm0002073 | |||
| 71624270 | 90462 | 0 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 354 | 3 | 0 | 2 | 4.8 | CC1C(=O)N(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2013.03.101 | |||
| CHEMBL2387194 | 90462 | 0 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 354 | 3 | 0 | 2 | 4.8 | CC1C(=O)N(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2013.03.101 | |||
| 53326167 | 57307 | 0 | None | 5 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 541 | 6 | 1 | 6 | 5.7 | OCC1(N2CCC(n3c(N4CC5CN(Cc6ccccc6)CC5C4)nc4ccccc43)CC2)CCCCCCC1 | 10.1016/j.bmc.2010.07.034 | |||
| CHEMBL1650845 | 57307 | 0 | None | 5 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 541 | 6 | 1 | 6 | 5.7 | OCC1(N2CCC(n3c(N4CC5CN(Cc6ccccc6)CC5C4)nc4ccccc43)CC2)CCCCCCC1 | 10.1016/j.bmc.2010.07.034 | |||
| 24776401 | 158974 | 0 | None | 141 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 430 | 4 | 0 | 2 | 5.8 | CC(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2ccccc23)CC1 | 10.1021/jm7009606 | |||
| CHEMBL409621 | 158974 | 0 | None | 141 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 430 | 4 | 0 | 2 | 5.8 | CC(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2ccccc23)CC1 | 10.1021/jm7009606 | |||
| CHEMBL414543 | 213137 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N(C)C(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O | 10.1021/jm0202021 | |||||
| 25190620 | 179305 | 0 | None | 12 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 516 | 7 | 0 | 4 | 6.1 | CC(C)N(CCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O)C(C)C | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL473280 | 179305 | 0 | None | 12 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 516 | 7 | 0 | 4 | 6.1 | CC(C)N(CCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O)C(C)C | 10.1016/j.bmcl.2008.12.092 | |||
| 10504545 | 99496 | 0 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 469 | 4 | 0 | 3 | 5.2 | C=CCN1CN(c2ccccc2)C2(CCN(C3CCc4c(Cl)ccc(Cl)c4C3)CC2)C1=O | 10.1021/jm991129q | |||
| CHEMBL283265 | 99496 | 0 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 469 | 4 | 0 | 3 | 5.2 | C=CCN1CN(c2ccccc2)C2(CCN(C3CCc4c(Cl)ccc(Cl)c4C3)CC2)C1=O | 10.1021/jm991129q | |||
| 9934232 | 91806 | 0 | None | 407 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 465 | 4 | 1 | 3 | 5.5 | O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL241272 | 91806 | 0 | None | 407 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 465 | 4 | 1 | 3 | 5.5 | O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| 9934232 | 91806 | 0 | None | 407 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 465 | 4 | 1 | 3 | 5.5 | O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL241272 | 91806 | 0 | None | 407 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 465 | 4 | 1 | 3 | 5.5 | O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 44391111 | 65602 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 443 | 7 | 2 | 6 | 4.6 | CCC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(n2c(O)nc3ccccc32)CC1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL183323 | 65602 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 443 | 7 | 2 | 6 | 4.6 | CCC(Oc1cc(C)ccc1Cl)C(O)CN1CCC(n2c(O)nc3ccccc32)CC1 | 10.1016/j.bmcl.2004.11.049 | |||
| 54584439 | 62644 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 393 | 8 | 2 | 4 | 2.8 | O=C(CNCc1ccccc1)NCCCN1CCC2(CC1)OCc1ccccc12 | 10.1016/j.bmc.2009.05.068 | |||
| CHEMBL1783819 | 62644 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 393 | 8 | 2 | 4 | 2.8 | O=C(CNCc1ccccc1)NCCCN1CCC2(CC1)OCc1ccccc12 | 10.1016/j.bmc.2009.05.068 | |||
| 118662183 | 171700 | 0 | None | -3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 334 | 5 | 0 | 3 | 4.1 | CCCCN1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1=O | 10.1021/acsmedchemlett.6b00277 | |||
| CHEMBL4466714 | 171700 | 0 | None | -3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 334 | 5 | 0 | 3 | 4.1 | CCCCN1CCC2(CCC(c3cccs3)(N(C)C)CC2)C1=O | 10.1021/acsmedchemlett.6b00277 | |||
| 44380305 | 59335 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 439 | 2 | 1 | 3 | 6.3 | O=C1NCN(c2ccccc2)C12CCN(C1CCCCCCCCCCCCCC1)CC2 | 10.1016/s0960-894x(00)00111-6 | |||
| CHEMBL170674 | 59335 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 439 | 2 | 1 | 3 | 6.3 | O=C1NCN(c2ccccc2)C12CCN(C1CCCCCCCCCCCCCC1)CC2 | 10.1016/s0960-894x(00)00111-6 | |||
| 59159326 | 129039 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 398 | 3 | 1 | 5 | 3.1 | COc1ccc2c(n1)N(C1CCN(C3/C=C\CCCCC3)CC1)C(=O)CC(=O)N2 | nan | |||
| CHEMBL3670296 | 129039 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 398 | 3 | 1 | 5 | 3.1 | COc1ccc2c(n1)N(C1CCN(C3/C=C\CCCCC3)CC1)C(=O)CC(=O)N2 | nan | |||
| 44394559 | 66306 | 0 | None | -2 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 407 | 3 | 1 | 3 | 3.7 | O=S1(=O)NCc2ccccc2N1C1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL184865 | 66306 | 0 | None | -2 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 407 | 3 | 1 | 3 | 3.7 | O=S1(=O)NCc2ccccc2N1C1CCN(Cc2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 44438912 | 91207 | 0 | None | 8 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 3.0 | O=C1NCN(c2ccccc2)C12CCN(CC1CCCCC1)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL240001 | 91207 | 0 | None | 8 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 3.0 | O=C1NCN(c2ccccc2)C12CCN(CC1CCCCC1)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 57502893 | 128183 | 0 | None | 4 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 383 | 3 | 1 | 3 | 4.0 | CC(C)C1CCC(N2CCC(N3C(=O)CC(=O)Nc4ccccc43)CC2)CC1 | nan | |||
| CHEMBL3665429 | 128183 | 0 | None | 4 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 383 | 3 | 1 | 3 | 4.0 | CC(C)C1CCC(N2CCC(N3C(=O)CC(=O)Nc4ccccc43)CC2)CC1 | nan | |||
| 44426803 | 85937 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 371 | 6 | 1 | 2 | 5.2 | OC1(c2ccccc2)CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL230033 | 85937 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 371 | 6 | 1 | 2 | 5.2 | OC1(c2ccccc2)CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 44413362 | 139946 | 0 | None | 12 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 471 | 6 | 1 | 4 | 5.3 | CN(C)C[C@@H](O)Cn1cc(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccc(F)cc21 | 10.1016/j.bmcl.2006.03.094 | |||
| CHEMBL379971 | 139946 | 0 | None | 12 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 471 | 6 | 1 | 4 | 5.3 | CN(C)C[C@@H](O)Cn1cc(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccc(F)cc21 | 10.1016/j.bmcl.2006.03.094 | |||
| 10314141 | 88224 | 0 | None | 17 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 4.6 | CC(C)(C)C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL234771 | 88224 | 0 | None | 17 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 323 | 3 | 1 | 2 | 4.6 | CC(C)(C)C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 118718285 | 115321 | 0 | None | 56 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 523 | 7 | 1 | 4 | 6.2 | COc1ccc([C@@]2(CNC(C)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1 | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349269 | 115321 | 0 | None | 56 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 523 | 7 | 1 | 4 | 6.2 | COc1ccc([C@@]2(CNC(C)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1 | 10.1016/j.bmcl.2008.10.088 | |||
| 46880088 | 7545 | 0 | None | 5 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 384 | 4 | 1 | 5 | 2.8 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCCC3(C)C)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1087531 | 7545 | 0 | None | 5 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 384 | 4 | 1 | 5 | 2.8 | CNC(=O)Cn1c(=O)n(C2CCN(C3CCCC3(C)C)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.09.028 | |||
| 122179061 | 121404 | 0 | None | -691 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 505 | 5 | 2 | 5 | 4.9 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1cccc(F)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| CHEMBL3581757 | 121404 | 0 | None | -691 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 505 | 5 | 2 | 5 | 4.9 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1cccc(F)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| 44253568 | 145692 | 0 | None | -3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 379 | 4 | 2 | 2 | 5.1 | CNC1(c2[nH]c3ccccc3c2C)CCC(c2cccc(F)c2)(N(C)C)CC1 | nan | |||
| CHEMBL3916201 | 145692 | 0 | None | -3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 379 | 4 | 2 | 2 | 5.1 | CNC1(c2[nH]c3ccccc3c2C)CCC(c2cccc(F)c2)(N(C)C)CC1 | nan | |||
| 44390999 | 65590 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 343 | 4 | 2 | 5 | 3.3 | Oc1nc2ccccc2n1C1CCN(CC(O)C2CCCCC2)CC1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL183242 | 65590 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 343 | 4 | 2 | 5 | 3.3 | Oc1nc2ccccc2n1C1CCN(CC(O)C2CCCCC2)CC1 | 10.1016/j.bmcl.2004.11.049 | |||
| 44402349 | 133438 | 0 | None | -2 | 3 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 450 | 2 | 1 | 5 | 6.0 | Nc1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1 | 10.1016/j.bmcl.2005.03.076 | |||
| CHEMBL370607 | 133438 | 0 | None | -2 | 3 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 450 | 2 | 1 | 5 | 6.0 | Nc1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1 | 10.1016/j.bmcl.2005.03.076 | |||
| 57502892 | 128182 | 0 | None | 10 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 425 | 4 | 1 | 3 | 5.4 | CCC1(CC)C(=O)Nc2ccccc2N(C2CCN(C3CCCCCCC3)CC2)C1=O | nan | |||
| CHEMBL3665428 | 128182 | 0 | None | 10 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 425 | 4 | 1 | 3 | 5.4 | CCC1(CC)C(=O)Nc2ccccc2N(C2CCN(C3CCCCCCC3)CC2)C1=O | nan | |||
| 44252533 | 147204 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 438 | 6 | 0 | 2 | 6.1 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)/C=C/c2ccccc2)CC1 | nan | |||
| CHEMBL3928190 | 147204 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 438 | 6 | 0 | 2 | 6.1 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)/C=C/c2ccccc2)CC1 | nan | |||
| 44394405 | 64565 | 0 | None | 4 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 505 | 5 | 0 | 5 | 4.6 | CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CC(=O)OC(C)(C)C)S3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL181545 | 64565 | 0 | None | 4 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 505 | 5 | 0 | 5 | 4.6 | CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CC(=O)OC(C)(C)C)S3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 25134074 | 128174 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 373 | 2 | 1 | 4 | 3.6 | O=c1[nH]c2c(F)cccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O | nan | |||
| CHEMBL3665420 | 128174 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 373 | 2 | 1 | 4 | 3.6 | O=c1[nH]c2c(F)cccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O | nan | |||
| CHEMBL414963 | 213163 | 0 | None | - | 1 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | Cc1ccc(C[C@H](N)CNCC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)cc1 | 10.1021/jm990075h | |||||
| 10154739 | 97026 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 347 | 4 | 1 | 2 | 4.1 | CCCC1CCC(N2CCC(N3C(=O)N[C@@H]4CCCC[C@H]43)CC2)CC1 | 10.1016/j.bmcl.2003.11.083 | |||
| CHEMBL26681 | 97026 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 347 | 4 | 1 | 2 | 4.1 | CCCC1CCC(N2CCC(N3C(=O)N[C@@H]4CCCC[C@H]43)CC2)CC1 | 10.1016/j.bmcl.2003.11.083 | |||
| 44252100 | 149134 | 0 | None | -10 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 403 | 5 | 0 | 4 | 4.7 | CN(C)C1(C(=O)c2cc3ccccc3n2C)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| CHEMBL3943372 | 149134 | 0 | None | -10 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 403 | 5 | 0 | 4 | 4.7 | CN(C)C1(C(=O)c2cc3ccccc3n2C)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| 44337123 | 110498 | 0 | None | 54 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 5.5 | N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1cccc(F)c1)c1cccc(F)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL324897 | 110498 | 0 | None | 54 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 5.5 | N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1cccc(F)c1)c1cccc(F)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| 134578506 | 174298 | 0 | None | 58 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 437 | 5 | 1 | 4 | 5.5 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN4CCC(O)CC4)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| CHEMBL4550088 | 174298 | 0 | None | 58 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 437 | 5 | 1 | 4 | 5.5 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN4CCC(O)CC4)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| 24776412 | 172671 | 0 | None | 40 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 418 | 6 | 1 | 2 | 5.6 | CC(C)C1CCC(N2CCC(C(=O)NCc3ccccc3)(c3ccccc3)CC2)CC1 | 10.1021/jm7009606 | |||
| CHEMBL449966 | 172671 | 0 | None | 40 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 418 | 6 | 1 | 2 | 5.6 | CC(C)C1CCC(N2CCC(C(=O)NCc3ccccc3)(c3ccccc3)CC2)CC1 | 10.1021/jm7009606 | |||
| 25134073 | 128173 | 0 | None | 2 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 355 | 2 | 1 | 4 | 3.4 | O=c1[nH]c2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O | nan | |||
| CHEMBL3665419 | 128173 | 0 | None | 2 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 355 | 2 | 1 | 4 | 3.4 | O=c1[nH]c2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O | nan | |||
| 44339526 | 9323 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 403 | 3 | 1 | 2 | 5.2 | OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccc(C(F)(F)F)cc2)CC1 | 10.1016/s0960-894x(03)00665-6 | |||
| CHEMBL111105 | 9323 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 403 | 3 | 1 | 2 | 5.2 | OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccc(C(F)(F)F)cc2)CC1 | 10.1016/s0960-894x(03)00665-6 | |||
| 10252647 | 179223 | 0 | None | 8 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 439 | 5 | 0 | 3 | 5.3 | CC(C)N1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL472676 | 179223 | 0 | None | 8 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 439 | 5 | 0 | 3 | 5.3 | CC(C)N1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 44413384 | 166352 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 358 | 3 | 1 | 1 | 6.4 | Clc1cccc2c(C3CCN(CC4CCCCCCC4)CC3)c[nH]c12 | 10.1016/j.bmcl.2006.03.094 | |||
| CHEMBL427395 | 166352 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 358 | 3 | 1 | 1 | 6.4 | Clc1cccc2c(C3CCN(CC4CCCCCCC4)CC3)c[nH]c12 | 10.1016/j.bmcl.2006.03.094 | |||
| 56661555 | 65706 | 0 | None | -5 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 501 | 4 | 2 | 5 | 5.1 | CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c(Cl)cc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | |||
| CHEMBL1834415 | 65706 | 0 | None | -5 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 501 | 4 | 2 | 5 | 5.1 | CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c(Cl)cc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | |||
| 118718284 | 115320 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 590 | 8 | 1 | 4 | 7.2 | CC(=O)NC[C@]1(c2ncccc2CN2CCCCC2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349268 | 115320 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 590 | 8 | 1 | 4 | 7.2 | CC(=O)NC[C@]1(c2ncccc2CN2CCCCC2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 44430046 | 87748 | 0 | None | 3 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 440 | 5 | 2 | 3 | 5.5 | NCc1ccccc1C1(O)CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL233749 | 87748 | 0 | None | 3 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 440 | 5 | 2 | 3 | 5.5 | NCc1ccccc1C1(O)CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 44426839 | 168821 | 0 | None | -2 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 387 | 5 | 2 | 3 | 4.5 | O=C(O)c1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL437742 | 168821 | 0 | None | -2 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 387 | 5 | 2 | 3 | 4.5 | O=C(O)c1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 44574889 | 178627 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 507 | 6 | 2 | 3 | 5.2 | NC(=O)c1ccc(C2(C(N)=O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccccc2Cl)cc1 | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL467494 | 178627 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 507 | 6 | 2 | 3 | 5.2 | NC(=O)c1ccc(C2(C(N)=O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccccc2Cl)cc1 | 10.1016/j.bmcl.2009.03.031 | |||
| 118718295 | 115332 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 518 | 6 | 0 | 2 | 7.3 | O=C1CCCN1C[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349280 | 115332 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 518 | 6 | 0 | 2 | 7.3 | O=C1CCCN1C[C@]1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 118662014 | 172866 | 0 | None | -2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 272 | 2 | 1 | 2 | 2.5 | CN(C)C1(c2ccccc2)CCC2(CC1)CNC(=O)C2 | 10.1021/acsmedchemlett.6b00277 | |||
| CHEMBL4515245 | 172866 | 0 | None | -2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 272 | 2 | 1 | 2 | 2.5 | CN(C)C1(c2ccccc2)CCC2(CC1)CNC(=O)C2 | 10.1021/acsmedchemlett.6b00277 | |||
| 59159321 | 129040 | 0 | None | 173 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 445 | 3 | 1 | 5 | 3.6 | COC(=O)C1(N2CCC(N3C(=O)CC(=O)Nc4ccc(F)cc43)CC2)CCCCCCC1 | nan | |||
| CHEMBL3670297 | 129040 | 0 | None | 173 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 445 | 3 | 1 | 5 | 3.6 | COC(=O)C1(N2CCC(N3C(=O)CC(=O)Nc4ccc(F)cc43)CC2)CCCCCCC1 | nan | |||
| 44337249 | 5213 | 0 | None | 6 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 360 | 7 | 1 | 2 | 5.5 | CCCCC(c1cccc(F)c1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL106190 | 5213 | 0 | None | 6 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 360 | 7 | 1 | 2 | 5.5 | CCCCC(c1cccc(F)c1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| 44337460 | 109177 | 0 | None | 3 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 5.5 | N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL321462 | 109177 | 0 | None | 3 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 5.5 | N[C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1016/s0960-894x(02)00652-2 | |||
| 44249048 | 103378 | 0 | None | 11 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 422 | 4 | 0 | 2 | 6.9 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccncc1)C2 | 10.1021/jm9008218 | |||
| CHEMBL3084642 | 103378 | 0 | None | 11 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 422 | 4 | 0 | 2 | 6.9 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccncc1)C2 | 10.1021/jm9008218 | |||
| 44402509 | 70620 | 0 | None | 1 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 295 | 2 | 0 | 3 | 4.0 | CN(C)C[C@H]1C[C@H]2c3ccccc3Oc3ccccc3[C@@H]2O1 | 10.1016/j.bmcl.2005.03.076 | |||
| CHEMBL194994 | 70620 | 0 | None | 1 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 295 | 2 | 0 | 3 | 4.0 | CN(C)C[C@H]1C[C@H]2c3ccccc3Oc3ccccc3[C@@H]2O1 | 10.1016/j.bmcl.2005.03.076 | |||
| 44339449 | 9097 | 7 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 4.3 | OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccc(F)cc2)CC1 | 10.1016/s0960-894x(03)00665-6 | |||
| CHEMBL109916 | 9097 | 7 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 4.3 | OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccc(F)cc2)CC1 | 10.1016/s0960-894x(03)00665-6 | |||
| 9902583 | 97468 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 3.7 | CCN1C(=O)N(C2CCN(Cc3ccccc3)CC2)[C@@H]2CCCC[C@H]21 | 10.1016/j.bmcl.2003.11.083 | |||
| CHEMBL27018 | 97468 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 3.7 | CCN1C(=O)N(C2CCN(Cc3ccccc3)CC2)[C@@H]2CCCC[C@H]21 | 10.1016/j.bmcl.2003.11.083 | |||
| 9845765 | 31223 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 397 | 5 | 2 | 4 | 5.3 | Cc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1021/jm0002073 | |||
| CHEMBL140103 | 31223 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 397 | 5 | 2 | 4 | 5.3 | Cc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1021/jm0002073 | |||
| 44248550 | 103393 | 0 | None | 128 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 519 | 6 | 0 | 3 | 7.9 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ncccc1CN1CCCCC1)C2 | 10.1021/jm9008218 | |||
| CHEMBL3084669 | 103393 | 0 | None | 128 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 519 | 6 | 0 | 3 | 7.9 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ncccc1CN1CCCCC1)C2 | 10.1021/jm9008218 | |||
| 118718266 | 115302 | 0 | None | 109 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 479 | 6 | 0 | 3 | 6.6 | CN(C)C[C@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349250 | 115302 | 0 | None | 109 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 479 | 6 | 0 | 3 | 6.6 | CN(C)C[C@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 118718279 | 115315 | 0 | None | 87 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 451 | 5 | 1 | 3 | 6.0 | NC[C@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349263 | 115315 | 0 | None | 87 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 451 | 5 | 1 | 3 | 6.0 | NC[C@]1(c2ccccn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 44574891 | 189463 | 0 | None | 30 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 492 | 6 | 1 | 2 | 6.8 | CCNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL513667 | 189463 | 0 | None | 30 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 492 | 6 | 1 | 2 | 6.8 | CCNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 44247589 | 103318 | 0 | None | 17 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 483 | 5 | 1 | 3 | 5.7 | NC(=O)[C@@]1(c2ccc(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084529 | 103318 | 0 | None | 17 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 483 | 5 | 1 | 3 | 5.7 | NC(=O)[C@@]1(c2ccc(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 76327876 | 103335 | 0 | None | 29 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 455 | 4 | 1 | 3 | 6.1 | N[C@@]1(c2ccc(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084548 | 103335 | 0 | None | 29 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 455 | 4 | 1 | 3 | 6.1 | N[C@@]1(c2ccc(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 44414783 | 141667 | 0 | None | 2 | 3 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 367 | 2 | 2 | 6 | 1.2 | CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OS(=O)(=O)O)CC[C@H]3[C@H]1C5 | 10.1016/j.bmcl.2006.05.060 | |||
| 44414784 | 141667 | 0 | None | 2 | 3 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 367 | 2 | 2 | 6 | 1.2 | CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OS(=O)(=O)O)CC[C@H]3[C@H]1C5 | 10.1016/j.bmcl.2006.05.060 | |||
| CHEMBL385448 | 141667 | 0 | None | 2 | 3 | Guinea pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 367 | 2 | 2 | 6 | 1.2 | CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OS(=O)(=O)O)CC[C@H]3[C@H]1C5 | 10.1016/j.bmcl.2006.05.060 | |||
| 46879716 | 6039 | 0 | None | 38 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 460 | 4 | 1 | 4 | 3.1 | CNC(=O)CN1c2ccccc2N(C2CCN(C3CCC4CCCCC4C3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1080483 | 6039 | 0 | None | 38 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 460 | 4 | 1 | 4 | 3.1 | CNC(=O)CN1c2ccccc2N(C2CCN(C3CCC4CCCCC4C3)CC2)S1(=O)=O | 10.1016/j.bmcl.2009.09.028 | |||
| 9883872 | 59158 | 0 | None | 8 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 327 | 2 | 1 | 3 | 3.0 | C[C@H]1CC[C@@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 | 10.1016/s0960-894x(00)00111-6 | |||
| CHEMBL169947 | 59158 | 0 | None | 8 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 327 | 2 | 1 | 3 | 3.0 | C[C@H]1CC[C@@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 | 10.1016/s0960-894x(00)00111-6 | |||
| 10646744 | 97406 | 0 | None | -2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 439 | 4 | 1 | 4 | 3.3 | O=C1N(CCO)CN(c2ccccc2)C12CCN(C1CCc3cccc(Cl)c3C1)CC2 | 10.1021/jm991129q | |||
| CHEMBL26987 | 97406 | 0 | None | -2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 439 | 4 | 1 | 4 | 3.3 | O=C1N(CCO)CN(c2ccccc2)C12CCN(C1CCc3cccc(Cl)c3C1)CC2 | 10.1021/jm991129q | |||
| 10572810 | 99559 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 395 | 2 | 1 | 3 | 3.6 | O=C1NCN(c2ccccc2)C12CCN(C1CCc3cccc(Cl)c3C1)CC2 | 10.1021/jm991129q | |||
| CHEMBL283617 | 99559 | 0 | None | 2 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 395 | 2 | 1 | 3 | 3.6 | O=C1NCN(c2ccccc2)C12CCN(C1CCc3cccc(Cl)c3C1)CC2 | 10.1021/jm991129q | |||
| 44574539 | 178443 | 0 | None | 97 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 466 | 4 | 1 | 3 | 6.6 | Cc1ccnc(C2(O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccc(C)cc2Cl)c1 | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL466126 | 178443 | 0 | None | 97 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 466 | 4 | 1 | 3 | 6.6 | Cc1ccnc(C2(O)CC3CCC(C2)N3C(c2ccccc2Cl)c2ccc(C)cc2Cl)c1 | 10.1016/j.bmcl.2009.03.031 | |||
| 60154189 | 77595 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 5 | 0 | 6 | 2.2 | CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc12)Cn1cccn1 | 10.1021/jm201629q | |||
| CHEMBL2088038 | 77595 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 5 | 0 | 6 | 2.2 | CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc12)Cn1cccn1 | 10.1021/jm201629q | |||
| CHEMBL2088039 | 77595 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 388 | 5 | 0 | 6 | 2.2 | CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc12)Cn1cccn1 | 10.1021/jm201629q | |||
| 44253567 | 144495 | 0 | None | 48 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 379 | 6 | 1 | 3 | 3.6 | CNC(=O)CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| CHEMBL3906866 | 144495 | 0 | None | 48 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 379 | 6 | 1 | 3 | 3.6 | CNC(=O)CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| 44574632 | 189302 | 0 | None | 41 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 5.5 | Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(CCCO)C3)c(Cl)c1 | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL512247 | 189302 | 0 | None | 41 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 5.5 | Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(CCCO)C3)c(Cl)c1 | 10.1016/j.bmcl.2009.03.031 | |||
| 118722880 | 120547 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 322 | 6 | 1 | 2 | 4.2 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCc2ccccc2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3325878 | 120547 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 322 | 6 | 1 | 2 | 4.2 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCc2ccccc2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3545580 | 120547 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 322 | 6 | 1 | 2 | 4.2 | CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCc2ccccc2)CC1 | 10.1021/ml500116x | |||
| 10137876 | 125047 | 0 | None | 11 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 3.2 | CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CCO)S3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL364398 | 125047 | 0 | None | 11 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 3.2 | CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CCO)S3(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 11461888 | 4624 | 3 | None | -2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 338 | 2 | 0 | 2 | 4.0 | O=C1Cc2ccccc2N1C1CCN(C2C3CCCC2CCC3)CC1 | 10.1021/jm034249d | |||
| CHEMBL102900 | 4624 | 3 | None | -2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 338 | 2 | 0 | 2 | 4.0 | O=C1Cc2ccccc2N1C1CCN(C2C3CCCC2CCC3)CC1 | 10.1021/jm034249d | |||
| 11461888 | 4624 | 3 | None | -2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 338 | 2 | 0 | 2 | 4.0 | O=C1Cc2ccccc2N1C1CCN(C2C3CCCC2CCC3)CC1 | 10.1016/j.bmcl.2013.03.101 | |||
| CHEMBL102900 | 4624 | 3 | None | -2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 338 | 2 | 0 | 2 | 4.0 | O=C1Cc2ccccc2N1C1CCN(C2C3CCCC2CCC3)CC1 | 10.1016/j.bmcl.2013.03.101 | |||
| 10156821 | 178537 | 0 | None | 67 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 383 | 4 | 1 | 2 | 5.7 | OC1(c2ccccc2)CC2CCCC(C1)N2C(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL466846 | 178537 | 0 | None | 67 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 383 | 4 | 1 | 2 | 5.7 | OC1(c2ccccc2)CC2CCCC(C1)N2C(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.03.031 | |||
| 71624265 | 90456 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 340 | 4 | 0 | 2 | 4.4 | CCC[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2013.03.101 | |||
| CHEMBL2387188 | 90456 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 340 | 4 | 0 | 2 | 4.4 | CCC[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2013.03.101 | |||
| 46879669 | 5967 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 436 | 4 | 1 | 4 | 3.4 | CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC4CCCCC4C3)CC2)C1=O | 10.1016/j.bmcl.2009.09.028 | |||
| CHEMBL1079942 | 5967 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 436 | 4 | 1 | 4 | 3.4 | CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC4CCCCC4C3)CC2)C1=O | 10.1016/j.bmcl.2009.09.028 | |||
| 44451592 | 95920 | 0 | None | 22 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 518 | 10 | 1 | 8 | 4.4 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cnn[nH]4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL259292 | 95920 | 0 | None | 22 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 518 | 10 | 1 | 8 | 4.4 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cnn[nH]4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 118718294 | 115331 | 0 | None | 60 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 504 | 6 | 0 | 2 | 7.7 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@@](CN1CCCC1)(c1ccccc1)C2 | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349279 | 115331 | 0 | None | 60 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 504 | 6 | 0 | 2 | 7.7 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@@](CN1CCCC1)(c1ccccc1)C2 | 10.1016/j.bmcl.2008.10.088 | |||
| 45270712 | 195302 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 470 | 4 | 0 | 2 | 6.7 | CC(=O)N1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1021/jm9008218 | |||
| CHEMBL551454 | 195302 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 470 | 4 | 0 | 2 | 6.7 | CC(=O)N1CCCCC1C1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1021/jm9008218 | |||
| 10042904 | 208404 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | CC(C)[C@H]1CC[C@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 | 10.1021/jm034249d | |||
| CHEMBL99738 | 208404 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | CC(C)[C@H]1CC[C@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 | 10.1021/jm034249d | |||
| 44413441 | 79940 | 0 | None | -2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 372 | 3 | 1 | 1 | 6.7 | Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC2CCCCCCC2)CC1 | 10.1016/j.bmcl.2006.03.094 | |||
| CHEMBL212574 | 79940 | 0 | None | -2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 372 | 3 | 1 | 1 | 6.7 | Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC2CCCCCCC2)CC1 | 10.1016/j.bmcl.2006.03.094 | |||
| 10182346 | 124650 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 449 | 6 | 1 | 4 | 4.4 | O=S1(=O)Nc2ccccc2N1C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL364147 | 124650 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 449 | 6 | 1 | 4 | 4.4 | O=S1(=O)Nc2ccccc2N1C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 44339450 | 110211 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 3 | 1 | 2 | 5.3 | OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccc3ccccc3c2)CC1 | 10.1016/s0960-894x(03)00665-6 | |||
| CHEMBL323729 | 110211 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 3 | 1 | 2 | 5.3 | OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccc3ccccc3c2)CC1 | 10.1016/s0960-894x(03)00665-6 | |||
| 11480038 | 106762 | 0 | None | 35 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 900 | 22 | 10 | 9 | -0.2 | CC(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2CCC[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc3ccc(Cl)cc3)C(N)=O)N2C1=O | 10.1021/jm031034v | |||
| CHEMBL3144468 | 106762 | 0 | None | 35 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 900 | 22 | 10 | 9 | -0.2 | CC(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@H]2CCC[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc3ccc(Cl)cc3)C(N)=O)N2C1=O | 10.1021/jm031034v | |||
| 10317947 | 85736 | 0 | None | 20 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 385 | 7 | 0 | 2 | 6.2 | CCCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL229017 | 85736 | 0 | None | 20 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 385 | 7 | 0 | 2 | 6.2 | CCCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 76335140 | 103324 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 481 | 5 | 2 | 4 | 5.2 | NC(=O)[C@@]1(c2ccc(O)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084535 | 103324 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 481 | 5 | 2 | 4 | 5.2 | NC(=O)[C@@]1(c2ccc(O)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 44252683 | 145127 | 0 | None | -2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 288 | 6 | 1 | 2 | 4.2 | CCCCC1(N(C)C)CCC(NC)(c2ccccc2)CC1 | nan | |||
| CHEMBL3911970 | 145127 | 0 | None | -2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 288 | 6 | 1 | 2 | 4.2 | CCCCC1(N(C)C)CCC(NC)(c2ccccc2)CC1 | nan | |||
| 44337129 | 5184 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 420 | 7 | 1 | 3 | 6.3 | N[C@@H](c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL106043 | 5184 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 420 | 7 | 1 | 3 | 6.3 | N[C@@H](c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(02)00652-2 | |||
| 44252990 | 148400 | 0 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 389 | 6 | 1 | 2 | 5.6 | CN(Cc1c[nH]c2ccccc12)CC1(C)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| CHEMBL3937593 | 148400 | 0 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 389 | 6 | 1 | 2 | 5.6 | CN(Cc1c[nH]c2ccccc12)CC1(C)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| 118718300 | 115337 | 0 | None | 13 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 3 | 1 | 2 | 7.4 | Cc1ccc2c(c1)[C@@]1(CN2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349285 | 115337 | 0 | None | 13 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 3 | 1 | 2 | 7.4 | Cc1ccc2c(c1)[C@@]1(CN2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 24800016 | 97666 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 450 | 5 | 1 | 2 | 6.1 | CC(C)(C)C1CCC(N2CCC(C(=O)NCc3ccccc3)(c3ccc(F)cc3)CC2)CC1 | 10.1021/jm7009606 | |||
| CHEMBL271185 | 97666 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 450 | 5 | 1 | 2 | 6.1 | CC(C)(C)C1CCC(N2CCC(C(=O)NCc3ccccc3)(c3ccc(F)cc3)CC2)CC1 | 10.1021/jm7009606 | |||
| 44337163 | 5422 | 0 | None | 3 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 342 | 7 | 1 | 2 | 5.3 | CCCCC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL107288 | 5422 | 0 | None | 3 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 342 | 7 | 1 | 2 | 5.3 | CCCCC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| 76331524 | 103325 | 0 | None | 6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 490 | 5 | 1 | 4 | 5.4 | N#Cc1ccc([C@]2(C(N)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1 | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084536 | 103325 | 0 | None | 6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 490 | 5 | 1 | 4 | 5.4 | N#Cc1ccc([C@]2(C(N)=O)C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)nc1 | 10.1016/j.bmcl.2009.03.057 | |||
| 90306885 | 110963 | 0 | None | -85 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 493 | 5 | 2 | 6 | 4.6 | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1cccs1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm401964y | |||
| CHEMBL3262372 | 110963 | 0 | None | -85 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 493 | 5 | 2 | 6 | 4.6 | CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1cccs1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm401964y | |||
| 44402816 | 140700 | 0 | None | -3 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 325 | 3 | 0 | 4 | 4.0 | COc1ccc2c(c1)[C@H]1O[C@H](CN(C)C)C[C@H]1c1ccccc1O2 | 10.1016/j.bmcl.2005.03.076 | |||
| CHEMBL381664 | 140700 | 0 | None | -3 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 325 | 3 | 0 | 4 | 4.0 | COc1ccc2c(c1)[C@H]1O[C@H](CN(C)C)C[C@H]1c1ccccc1O2 | 10.1016/j.bmcl.2005.03.076 | |||
| 134156152 | 151137 | 0 | None | -5 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 394 | 6 | 1 | 2 | 5.0 | CC(NC(=O)/C=C/c1ccccc1)C1CCC(c2cccc(F)c2)(N(C)C)CC1 | nan | |||
| CHEMBL3959501 | 151137 | 0 | None | -5 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 394 | 6 | 1 | 2 | 5.0 | CC(NC(=O)/C=C/c1ccccc1)C1CCC(c2cccc(F)c2)(N(C)C)CC1 | nan | |||
| 90655976 | 111007 | 0 | None | -38 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 438 | 7 | 0 | 2 | 6.2 | CCC1C(=O)N(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | |||
| CHEMBL3262549 | 111007 | 0 | None | -38 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 438 | 7 | 0 | 2 | 6.2 | CCC1C(=O)N(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | |||
| 44414724 | 32987 | 0 | None | 1 | 2 | Guinea pig | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 381 | 3 | 1 | 6 | 1.6 | COc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314 | 10.1016/j.bmcl.2006.05.060 | |||
| 44414725 | 32987 | 0 | None | 1 | 2 | Guinea pig | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 381 | 3 | 1 | 6 | 1.6 | COc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314 | 10.1016/j.bmcl.2006.05.060 | |||
| CHEMBL1416 | 32987 | 0 | None | 1 | 2 | Guinea pig | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 381 | 3 | 1 | 6 | 1.6 | COc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314 | 10.1016/j.bmcl.2006.05.060 | |||
| 44391093 | 64456 | 0 | None | -2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 505 | 8 | 2 | 6 | 5.4 | Cc1ccc(Cl)c(OC(Cc2ccccc2)C(O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL181342 | 64456 | 0 | None | -2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 505 | 8 | 2 | 6 | 5.4 | Cc1ccc(Cl)c(OC(Cc2ccccc2)C(O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| 9848990 | 189163 | 1 | None | -812 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 467 | 4 | 2 | 5 | 4.4 | CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm401964y | |||
| CHEMBL2368861 | 189163 | 1 | None | -812 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 467 | 4 | 2 | 5 | 4.4 | CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm401964y | |||
| CHEMBL511142 | 189163 | 1 | None | -812 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 467 | 4 | 2 | 5 | 4.4 | CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm401964y | |||
| nan | 189163 | 1 | None | -812 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 467 | 4 | 2 | 5 | 4.4 | CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm401964y | |||
| 9848990 | 189163 | 1 | None | -812 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 467 | 4 | 2 | 5 | 4.4 | CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | |||
| CHEMBL2368861 | 189163 | 1 | None | -812 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 467 | 4 | 2 | 5 | 4.4 | CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | |||
| CHEMBL511142 | 189163 | 1 | None | -812 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 467 | 4 | 2 | 5 | 4.4 | CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | |||
| nan | 189163 | 1 | None | -812 | 6 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 467 | 4 | 2 | 5 | 4.4 | CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/jm2003238 | |||
| 44252682 | 143586 | 0 | None | -15 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 430 | 7 | 1 | 3 | 4.8 | CN(C)C1(c2cccc(F)c2)CCC(C)(CNS(=O)(=O)/C=C/c2ccccc2)CC1 | nan | |||
| CHEMBL3899387 | 143586 | 0 | None | -15 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 430 | 7 | 1 | 3 | 4.8 | CN(C)C1(c2cccc(F)c2)CCC(C)(CNS(=O)(=O)/C=C/c2ccccc2)CC1 | nan | |||
| 44337513 | 5194 | 0 | None | 2 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 356 | 8 | 1 | 2 | 5.7 | CCCCCC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL106084 | 5194 | 0 | None | 2 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 356 | 8 | 1 | 2 | 5.7 | CCCCCC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| 10413540 | 125514 | 0 | None | -707 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 497 | 7 | 1 | 4 | 5.5 | COC(=O)C(CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2004.08.032 | |||
| CHEMBL364625 | 125514 | 0 | None | -707 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 497 | 7 | 1 | 4 | 5.5 | COC(=O)C(CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2004.08.032 | |||
| 10171862 | 120566 | 0 | None | -6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 309 | 5 | 0 | 2 | 4.6 | CN(C)[C@]1(c2ccccc2)CC[C@@H](OCc2ccccc2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3325748 | 120566 | 0 | None | -6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 309 | 5 | 0 | 2 | 4.6 | CN(C)[C@]1(c2ccccc2)CC[C@@H](OCc2ccccc2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3545632 | 120566 | 0 | None | -6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 309 | 5 | 0 | 2 | 4.6 | CN(C)[C@]1(c2ccccc2)CC[C@@H](OCc2ccccc2)CC1 | 10.1021/ml500116x | |||
| 44297519 | 100617 | 0 | None | -16 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 347 | 2 | 1 | 4 | 4.7 | Oc1nc2ccccc2n1[C@H]1CCN2[C@H](c3ccccc3)CCC[C@@H]2C1 | 10.1016/j.bmcl.2003.09.068 | |||
| CHEMBL291901 | 100617 | 0 | None | -16 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 347 | 2 | 1 | 4 | 4.7 | Oc1nc2ccccc2n1[C@H]1CCN2[C@H](c3ccccc3)CCC[C@@H]2C1 | 10.1016/j.bmcl.2003.09.068 | |||
| 44337452 | 5253 | 0 | None | 75 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 328 | 6 | 1 | 2 | 5.0 | CCCC(c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL106366 | 5253 | 0 | None | 75 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 328 | 6 | 1 | 2 | 5.0 | CCCC(c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| 76324311 | 103347 | 0 | None | 3 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 465 | 5 | 1 | 3 | 5.5 | NC(=O)[C@@]1(c2ccncc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084560 | 103347 | 0 | None | 3 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 465 | 5 | 1 | 3 | 5.5 | NC(=O)[C@@]1(c2ccncc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 122179052 | 121393 | 0 | None | -1995 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 499 | 5 | 2 | 5 | 4.8 | CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1cccc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| CHEMBL3581741 | 121393 | 0 | None | -1995 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 499 | 5 | 2 | 5 | 4.8 | CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1cccc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| 44328141 | 96966 | 0 | None | -1995 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1182 | 31 | 16 | 15 | -4.4 | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O | nan | |||
| CHEMBL266314 | 96966 | 0 | None | -1995 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1182 | 31 | 16 | 15 | -4.4 | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O | nan | |||
| 122179052 | 121393 | 0 | None | -1995 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 499 | 5 | 2 | 5 | 4.8 | CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1cccc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | nan | |||
| CHEMBL3581741 | 121393 | 0 | None | -1995 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 499 | 5 | 2 | 5 | 4.8 | CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1cccc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | nan | |||
| 10596013 | 121500 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 381 | 5 | 2 | 3 | 5.2 | Cc1cc(N)c2cc(NC(=O)c3ccccc3CCc3ccccc3)ccc2n1 | 10.1021/jm0002073 | |||
| CHEMBL358306 | 121500 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 381 | 5 | 2 | 3 | 5.2 | Cc1cc(N)c2cc(NC(=O)c3ccccc3CCc3ccccc3)ccc2n1 | 10.1021/jm0002073 | |||
| 44574672 | 189382 | 0 | None | 79 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 451 | 5 | 0 | 2 | 7.3 | COC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL512950 | 189382 | 0 | None | 79 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 451 | 5 | 0 | 2 | 7.3 | COC1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 25190597 | 177688 | 0 | None | 35 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 576 | 7 | 0 | 4 | 6.7 | O=C1N(CCN2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL464192 | 177688 | 0 | None | 35 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 576 | 7 | 0 | 4 | 6.7 | O=C1N(CCN2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| 44402586 | 71895 | 0 | None | 5 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 313 | 2 | 0 | 3 | 4.1 | CN(C)C[C@@H]1C[C@H]2c3ccccc3Oc3ccc(F)cc3[C@H]2O1 | 10.1016/j.bmcl.2005.03.076 | |||
| CHEMBL197135 | 71895 | 0 | None | 5 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 313 | 2 | 0 | 3 | 4.1 | CN(C)C[C@@H]1C[C@H]2c3ccccc3Oc3ccc(F)cc3[C@H]2O1 | 10.1016/j.bmcl.2005.03.076 | |||
| 1692 | 2152 | 29 | None | 12 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 411 | 6 | 2 | 4 | 5.5 | CCc1ccc(cc1)OCc1ccccc1C(=O)Nc1ccc2c(c1)c(N)cc(n2)C | 10.1021/jm0002073 | |||
| 5311340 | 2152 | 29 | None | 12 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 411 | 6 | 2 | 4 | 5.5 | CCc1ccc(cc1)OCc1ccccc1C(=O)Nc1ccc2c(c1)c(N)cc(n2)C | 10.1021/jm0002073 | |||
| CHEMBL140979 | 2152 | 29 | None | 12 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 411 | 6 | 2 | 4 | 5.5 | CCc1ccc(cc1)OCc1ccccc1C(=O)Nc1ccc2c(c1)c(N)cc(n2)C | 10.1021/jm0002073 | |||
| 1692 | 2152 | 29 | None | 12 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 411 | 6 | 2 | 4 | 5.5 | CCc1ccc(cc1)OCc1ccccc1C(=O)Nc1ccc2c(c1)c(N)cc(n2)C | 10.1021/jm020078l | |||
| 5311340 | 2152 | 29 | None | 12 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 411 | 6 | 2 | 4 | 5.5 | CCc1ccc(cc1)OCc1ccccc1C(=O)Nc1ccc2c(c1)c(N)cc(n2)C | 10.1021/jm020078l | |||
| CHEMBL140979 | 2152 | 29 | None | 12 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 411 | 6 | 2 | 4 | 5.5 | CCc1ccc(cc1)OCc1ccccc1C(=O)Nc1ccc2c(c1)c(N)cc(n2)C | 10.1021/jm020078l | |||
| 44574962 | 178511 | 0 | None | 7 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 522 | 8 | 1 | 3 | 6.4 | COCCNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL466693 | 178511 | 0 | None | 7 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 522 | 8 | 1 | 3 | 6.4 | COCCNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.031 | |||
| 44391155 | 65266 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 6.6 | Cc1ccc(Cl)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL182819 | 65266 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 6.6 | Cc1ccc(Cl)c(OC(CCN2CCC(n3c(O)nc4ccccc43)CC2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| 44439001 | 91775 | 0 | None | 7 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 407 | 2 | 1 | 3 | 4.4 | CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccc(F)cc21 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL241087 | 91775 | 0 | None | 7 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 407 | 2 | 1 | 3 | 4.4 | CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccc(F)cc21 | 10.1016/j.bmcl.2007.01.069 | |||
| 56664973 | 65699 | 0 | None | -5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 481 | 6 | 2 | 5 | 4.8 | CCC(C)(C)[C@](C)(O)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5 | 10.1021/jm2003238 | |||
| CHEMBL1834409 | 65699 | 0 | None | -5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 481 | 6 | 2 | 5 | 4.8 | CCC(C)(C)[C@](C)(O)[C@H]1C[C@@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN(CC1CC1)[C@@H]3C5 | 10.1021/jm2003238 | |||
| 10646745 | 99528 | 0 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 439 | 4 | 0 | 4 | 3.9 | COCN1CN(c2ccccc2)C2(CCN(C3CCc4cccc(Cl)c4C3)CC2)C1=O | 10.1021/jm991129q | |||
| CHEMBL283432 | 99528 | 0 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 439 | 4 | 0 | 4 | 3.9 | COCN1CN(c2ccccc2)C2(CCN(C3CCc4cccc(Cl)c4C3)CC2)C1=O | 10.1021/jm991129q | |||
| 11602409 | 139123 | 0 | None | 26 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 332 | 2 | 1 | 2 | 3.7 | c1ccc2c(c1)CNC(CN1CCC3(CCc4ccccc43)CC1)C2 | 10.1016/j.ejmech.2016.02.014 | |||
| CHEMBL3786899 | 139123 | 0 | None | 26 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 332 | 2 | 1 | 2 | 3.7 | c1ccc2c(c1)CNC(CN1CCC3(CCc4ccccc43)CC1)C2 | 10.1016/j.ejmech.2016.02.014 | |||
| 90655974 | 111004 | 0 | None | -8 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 374 | 3 | 0 | 2 | 5.1 | CCC1C(=O)N(C2CCN(C3CCCc4ccccc43)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | |||
| CHEMBL3262546 | 111004 | 0 | None | -8 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 374 | 3 | 0 | 2 | 5.1 | CCC1C(=O)N(C2CCN(C3CCCc4ccccc43)CC2)c2ccccc21 | 10.1016/j.bmc.2014.02.047 | |||
| 25190588 | 174800 | 0 | None | 28 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 576 | 8 | 1 | 4 | 6.8 | O=C1N(CCNC2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL456225 | 174800 | 0 | None | 28 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 576 | 8 | 1 | 4 | 6.8 | O=C1N(CCNC2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| 71624388 | 90465 | 0 | None | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 354 | 3 | 0 | 2 | 5.1 | CCC1C(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2013.03.101 | |||
| CHEMBL2387197 | 90465 | 0 | None | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 354 | 3 | 0 | 2 | 5.1 | CCC1C(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 | 10.1016/j.bmcl.2013.03.101 | |||
| 24776397 | 97948 | 0 | None | 11 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 372 | 2 | 0 | 2 | 4.3 | CC(C)C1CCC(N2CCC3(CC2)C(=O)N(C)Cc2cc(F)ccc23)CC1 | 10.1021/jm7009606 | |||
| CHEMBL272601 | 97948 | 0 | None | 11 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 372 | 2 | 0 | 2 | 4.3 | CC(C)C1CCC(N2CCC3(CC2)C(=O)N(C)Cc2cc(F)ccc23)CC1 | 10.1021/jm7009606 | |||
| 25134077 | 128177 | 0 | None | 48 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 397 | 2 | 1 | 4 | 3.8 | O=c1[nH]c2ccccc2n(C2CCN(C3Cc4cccc5cccc3c45)CC2)c1=O | nan | |||
| CHEMBL3665423 | 128177 | 0 | None | 48 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 397 | 2 | 1 | 4 | 3.8 | O=c1[nH]c2ccccc2n(C2CCN(C3Cc4cccc5cccc3c45)CC2)c1=O | nan | |||
| 81689704 | 121397 | 0 | None | -1995 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 487 | 5 | 2 | 5 | 4.7 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| CHEMBL3581750 | 121397 | 0 | None | -1995 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 487 | 5 | 2 | 5 | 4.7 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| 134134623 | 144507 | 0 | None | -1995 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 487 | 5 | 2 | 5 | 4.7 | CO[C@@]12CC[C@]3(C[C@@]1(C)[C@@H](O)c1ccccc1)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@@H]2O5 | nan | |||
| CHEMBL3907014 | 144507 | 0 | None | -1995 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 487 | 5 | 2 | 5 | 4.7 | CO[C@@]12CC[C@]3(C[C@@]1(C)[C@@H](O)c1ccccc1)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@@H]2O5 | nan | |||
| 81689704 | 121397 | 0 | None | -1995 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 487 | 5 | 2 | 5 | 4.7 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | nan | |||
| CHEMBL3581750 | 121397 | 0 | None | -1995 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 487 | 5 | 2 | 5 | 4.7 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | nan | |||
| 53319616 | 57308 | 0 | None | 3 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 467 | 4 | 0 | 7 | 4.1 | COC(=O)C1(N2CCC(n3c(N4CCN(C)CC4)nc4ccccc43)CC2)CCCCCCC1 | 10.1016/j.bmc.2010.07.034 | |||
| CHEMBL1650846 | 57308 | 0 | None | 3 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 467 | 4 | 0 | 7 | 4.1 | COC(=O)C1(N2CCC(n3c(N4CCN(C)CC4)nc4ccccc43)CC2)CCCCCCC1 | 10.1016/j.bmc.2010.07.034 | |||
| 16665915 | 138942 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 358 | 3 | 1 | 1 | 5.8 | Fc1ccc2[nH]cc(C3CCN(Cc4cccc5ccccc45)CC3)c2c1 | 10.1016/j.bmcl.2006.03.094 | |||
| CHEMBL378458 | 138942 | 0 | None | -1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 358 | 3 | 1 | 1 | 5.8 | Fc1ccc2[nH]cc(C3CCN(Cc4cccc5ccccc45)CC3)c2c1 | 10.1016/j.bmcl.2006.03.094 | |||
| 44413301 | 139550 | 0 | None | 10 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 367 | 2 | 0 | 3 | 5.2 | Cn1cc(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2cccnc21 | 10.1016/j.bmcl.2006.03.094 | |||
| CHEMBL379657 | 139550 | 0 | None | 10 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 367 | 2 | 0 | 3 | 5.2 | Cn1cc(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2cccnc21 | 10.1016/j.bmcl.2006.03.094 | |||
| 24776405 | 95961 | 0 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 3 | 0 | 2 | 6.3 | CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2cccc(F)c23)CC1 | 10.1021/jm7009606 | |||
| CHEMBL259473 | 95961 | 0 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 3 | 0 | 2 | 6.3 | CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2cccc(F)c23)CC1 | 10.1021/jm7009606 | |||
| 15586319 | 120554 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 288 | 3 | 0 | 3 | 2.7 | CN(C)[C@]1(c2ccccc2)CC[C@H](N2CCOCC2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3326219 | 120554 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 288 | 3 | 0 | 3 | 2.7 | CN(C)[C@]1(c2ccccc2)CC[C@H](N2CCOCC2)CC1 | 10.1021/ml500116x | |||
| CHEMBL3545620 | 120554 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 288 | 3 | 0 | 3 | 2.7 | CN(C)[C@]1(c2ccccc2)CC[C@H](N2CCOCC2)CC1 | 10.1021/ml500116x | |||
| 44391137 | 66103 | 0 | None | -7 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 510 | 7 | 1 | 6 | 6.1 | Cc1ccc(Cl)c(OC2(C(CN3CCC(n4c(O)nc5ccccc54)CC3)N(C)C)CCCCC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL183918 | 66103 | 0 | None | -7 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 510 | 7 | 1 | 6 | 6.1 | Cc1ccc(Cl)c(OC2(C(CN3CCC(n4c(O)nc5ccccc54)CC3)N(C)C)CCCCC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| 44426821 | 85690 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 422 | 5 | 2 | 3 | 4.6 | O=C(Nc1c(F)cccc1F)C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL228738 | 85690 | 0 | None | -2 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 422 | 5 | 2 | 3 | 4.6 | O=C(Nc1c(F)cccc1F)C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 118718267 | 115303 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 451 | 5 | 1 | 3 | 6.0 | NC[C@]1(c2cccnc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349251 | 115303 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 451 | 5 | 1 | 3 | 6.0 | NC[C@]1(c2cccnc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 9824268 | 165052 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 398 | 5 | 3 | 5 | 4.5 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(N)cc3)ccc2n1 | 10.1021/jm0002073 | |||
| CHEMBL422641 | 165052 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 398 | 5 | 3 | 5 | 4.5 | Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(N)cc3)ccc2n1 | 10.1021/jm0002073 | |||
| 44413414 | 138419 | 1 | None | -2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 3 | 1 | 2 | 5.1 | c1ccc2c(CN3CCC(c4c[nH]c5ncccc45)CC3)cccc2c1 | 10.1016/j.bmcl.2006.03.094 | |||
| CHEMBL377402 | 138419 | 1 | None | -2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 3 | 1 | 2 | 5.1 | c1ccc2c(CN3CCC(c4c[nH]c5ncccc45)CC3)cccc2c1 | 10.1016/j.bmcl.2006.03.094 | |||
| 122179055 | 121398 | 0 | None | -6760 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 501 | 5 | 2 | 5 | 5.0 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| CHEMBL3581751 | 121398 | 0 | None | -6760 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 501 | 5 | 2 | 5 | 5.0 | CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| 21345767 | 80223 | 0 | None | 1 | 2 | Guinea pig | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 471 | 4 | 1 | 7 | 2.8 | CN1CC[C@]23c4c5ccc(OC(=O)c6ccccc6)c4O[C@H]2[C@@H](OS(=O)(=O)O)CC[C@H]3[C@H]1C5 | 10.1016/j.bmcl.2006.05.060 | |||
| 44414801 | 80223 | 0 | None | 1 | 2 | Guinea pig | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 471 | 4 | 1 | 7 | 2.8 | CN1CC[C@]23c4c5ccc(OC(=O)c6ccccc6)c4O[C@H]2[C@@H](OS(=O)(=O)O)CC[C@H]3[C@H]1C5 | 10.1016/j.bmcl.2006.05.060 | |||
| CHEMBL213737 | 80223 | 0 | None | 1 | 2 | Guinea pig | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 471 | 4 | 1 | 7 | 2.8 | CN1CC[C@]23c4c5ccc(OC(=O)c6ccccc6)c4O[C@H]2[C@@H](OS(=O)(=O)O)CC[C@H]3[C@H]1C5 | 10.1016/j.bmcl.2006.05.060 | |||
| 10178563 | 99503 | 0 | None | -4 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 391 | 4 | 0 | 2 | 4.9 | CCN1C(=O)N(C2CCN(Cc3ccc4ccccc4c3)CC2)[C@@H]2CCCC[C@H]21 | 10.1016/j.bmcl.2003.11.083 | |||
| CHEMBL283301 | 99503 | 0 | None | -4 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 391 | 4 | 0 | 2 | 4.9 | CCN1C(=O)N(C2CCN(Cc3ccc4ccccc4c3)CC2)[C@@H]2CCCC[C@H]21 | 10.1016/j.bmcl.2003.11.083 | |||
| 44438914 | 91718 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 322 | 3 | 1 | 4 | 2.0 | O=C1NCN(c2ccccc2)C12CCN(Cc1ccncc1)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL240897 | 91718 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 322 | 3 | 1 | 4 | 2.0 | O=C1NCN(c2ccccc2)C12CCN(Cc1ccncc1)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 44339707 | 110641 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 326 | 3 | 0 | 2 | 4.9 | N#CC1(c2ccccc2)CCN(Cc2cccc3ccccc23)CC1 | 10.1016/s0960-894x(03)00665-6 | |||
| CHEMBL325774 | 110641 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 326 | 3 | 0 | 2 | 4.9 | N#CC1(c2ccccc2)CCN(Cc2cccc3ccccc23)CC1 | 10.1016/s0960-894x(03)00665-6 | |||
| 25190575 | 179224 | 0 | None | 7 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 451 | 6 | 0 | 3 | 5.3 | O=C1N(CC2CC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL472677 | 179224 | 0 | None | 7 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 451 | 6 | 0 | 3 | 5.3 | O=C1N(CC2CC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| 44394375 | 123682 | 0 | None | -6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 461 | 6 | 1 | 3 | 4.5 | O=S1(=O)NCc2ccccc2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL362160 | 123682 | 0 | None | -6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 461 | 6 | 1 | 3 | 4.5 | O=S1(=O)NCc2ccccc2N1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 54581497 | 62650 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 473 | 8 | 1 | 3 | 5.3 | O=C(NCCCN1CCC(c2c(Cl)cccc2Cl)CC1)[C@@H]1CCCN1Cc1ccccc1 | 10.1016/j.bmc.2009.05.068 | |||
| CHEMBL1783827 | 62650 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 473 | 8 | 1 | 3 | 5.3 | O=C(NCCCN1CCC(c2c(Cl)cccc2Cl)CC1)[C@@H]1CCCN1Cc1ccccc1 | 10.1016/j.bmc.2009.05.068 | |||
| 44391099 | 65937 | 0 | None | -7 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 429 | 6 | 2 | 6 | 4.2 | Cc1ccc(Cl)c(OC(C)C(O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL183603 | 65937 | 0 | None | -7 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 429 | 6 | 2 | 6 | 4.2 | Cc1ccc(Cl)c(OC(C)C(O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| 12114743 | 168812 | 0 | None | -2 | 2 | Guinea pig | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 409 | 3 | 1 | 7 | 1.5 | CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314 | 10.1016/j.bmcl.2006.05.060 | |||
| 44414785 | 168812 | 0 | None | -2 | 2 | Guinea pig | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 409 | 3 | 1 | 7 | 1.5 | CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314 | 10.1016/j.bmcl.2006.05.060 | |||
| CHEMBL437682 | 168812 | 0 | None | -2 | 2 | Guinea pig | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 409 | 3 | 1 | 7 | 1.5 | CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314 | 10.1016/j.bmcl.2006.05.060 | |||
| 25190572 | 179477 | 0 | None | 6 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 425 | 5 | 0 | 3 | 4.9 | CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL474091 | 179477 | 0 | None | 6 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 425 | 5 | 0 | 3 | 4.9 | CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | 10.1016/j.bmcl.2008.12.092 | |||
| 44430016 | 87512 | 0 | None | 11 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 373 | 5 | 1 | 3 | 4.8 | COc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL233493 | 87512 | 0 | None | 11 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 373 | 5 | 1 | 3 | 4.8 | COc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 10668903 | 34939 | 1 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 403 | 5 | 2 | 4 | 5.3 | Nc1ccnc2ccc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)cc12 | 10.1021/jm0002073 | |||
| CHEMBL143243 | 34939 | 1 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 403 | 5 | 2 | 4 | 5.3 | Nc1ccnc2ccc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)cc12 | 10.1021/jm0002073 | |||
| 44252837 | 144808 | 0 | None | -5 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 328 | 5 | 0 | 2 | 4.9 | CN(C)C1(CC2CCCC2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| CHEMBL3909426 | 144808 | 0 | None | -5 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 328 | 5 | 0 | 2 | 4.9 | CN(C)C1(CC2CCCC2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| 44339463 | 9343 | 0 | None | -346 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 419 | 3 | 1 | 2 | 6.0 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(Cc2ccc3ccccc3c2)CC1 | 10.1016/s0960-894x(03)00665-6 | |||
| CHEMBL111233 | 9343 | 0 | None | -346 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 419 | 3 | 1 | 2 | 6.0 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(Cc2ccc3ccccc3c2)CC1 | 10.1016/s0960-894x(03)00665-6 | |||
| 44339463 | 9343 | 0 | None | -346 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 419 | 3 | 1 | 2 | 6.0 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(Cc2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2004.08.032 | |||
| CHEMBL111233 | 9343 | 0 | None | -346 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 419 | 3 | 1 | 2 | 6.0 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(Cc2ccc3ccccc3c2)CC1 | 10.1016/j.bmcl.2004.08.032 | |||
| 69616387 | 79011 | 0 | None | -5 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 295 | 2 | 0 | 3 | 4.0 | CN(C)CC1CC2c3ccccc3Oc3ccccc3C2O1 | 10.1016/j.bmcl.2005.03.076 | |||
| CHEMBL2113093 | 79011 | 0 | None | -5 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 295 | 2 | 0 | 3 | 4.0 | CN(C)CC1CC2c3ccccc3Oc3ccccc3C2O1 | 10.1016/j.bmcl.2005.03.076 | |||
| 10715725 | 119227 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 395 | 5 | 2 | 3 | 5.5 | Cc1ccc(CCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1021/jm0002073 | |||
| CHEMBL343424 | 119227 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 395 | 5 | 2 | 3 | 5.5 | Cc1ccc(CCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1 | 10.1021/jm0002073 | |||
| 118705901 | 112866 | 0 | None | -7943 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 490 | 4 | 2 | 5 | 4.0 | O=C1CCC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N1CC1CCCCC1 | 10.1016/j.bmc.2014.05.065 | |||
| CHEMBL3309518 | 112866 | 0 | None | -7943 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 490 | 4 | 2 | 5 | 4.0 | O=C1CCC2=C([C@@H]3Oc4c(O)ccc5c4[C@@]34CCN(CC3CC3)[C@H](C5)[C@]4(O)C2)N1CC1CCCCC1 | 10.1016/j.bmc.2014.05.065 | |||
| 44276782 | 99326 | 0 | None | 4 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 4 | 0 | 2 | 4.7 | CCN1C(=O)N(C2CCN(C3CCC(C(C)C)CC3)CC2)[C@@H]2CCCC[C@H]21 | 10.1016/j.bmcl.2003.11.083 | |||
| CHEMBL282195 | 99326 | 0 | None | 4 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 4 | 0 | 2 | 4.7 | CCN1C(=O)N(C2CCN(C3CCC(C(C)C)CC3)CC2)[C@@H]2CCCC[C@H]21 | 10.1016/j.bmcl.2003.11.083 | |||
| 25190577 | 189709 | 0 | None | 26 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 493 | 6 | 0 | 3 | 6.5 | O=C1N(CC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| CHEMBL515554 | 189709 | 0 | None | 26 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 493 | 6 | 0 | 3 | 6.5 | O=C1N(CC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2 | 10.1016/j.bmcl.2008.12.092 | |||
| 25128943 | 128189 | 0 | None | 14 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 356 | 2 | 1 | 5 | 2.8 | O=c1[nH]c2ncccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O | nan | |||
| CHEMBL3665435 | 128189 | 0 | None | 14 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 356 | 2 | 1 | 5 | 2.8 | O=c1[nH]c2ncccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O | nan | |||
| CHEMBL415583 | 213189 | 0 | None | - | 1 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | COc1ccc(C[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)cc1 | 10.1021/jm010221v | |||||
| 44252837 | 144808 | 0 | None | -5 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 328 | 5 | 0 | 2 | 4.9 | CN(C)C1(CC2CCCC2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| CHEMBL3909426 | 144808 | 0 | None | -5 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 328 | 5 | 0 | 2 | 4.9 | CN(C)C1(CC2CCCC2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| 44249045 | 103373 | 0 | None | 46 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 452 | 5 | 0 | 3 | 6.9 | COc1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1 | 10.1021/jm9008218 | |||
| CHEMBL3084636 | 103373 | 0 | None | 46 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 452 | 5 | 0 | 3 | 6.9 | COc1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1 | 10.1021/jm9008218 | |||
| 44249046 | 103392 | 0 | None | 37 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 421 | 4 | 0 | 1 | 7.5 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 | 10.1021/jm9008218 | |||
| CHEMBL3084668 | 103392 | 0 | None | 37 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 421 | 4 | 0 | 1 | 7.5 | Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 | 10.1021/jm9008218 | |||
| 44426838 | 85709 | 0 | None | 13 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 373 | 5 | 2 | 3 | 4.3 | OCc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL228858 | 85709 | 0 | None | 13 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 373 | 5 | 2 | 3 | 4.3 | OCc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 44426811 | 161746 | 0 | None | 14 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 337 | 6 | 1 | 2 | 5.1 | CC(C)CCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| CHEMBL413791 | 161746 | 0 | None | 14 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 337 | 6 | 1 | 2 | 5.1 | CC(C)CCC(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 | 10.1016/j.bmcl.2007.03.061 | |||
| 76327874 | 103332 | 0 | None | 8 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 501 | 5 | 1 | 3 | 5.8 | NC(=O)[C@@]1(c2cc(F)c(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| CHEMBL3084544 | 103332 | 0 | None | 8 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 501 | 5 | 1 | 3 | 5.8 | NC(=O)[C@@]1(c2cc(F)c(F)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2009.03.057 | |||
| 44438965 | 166860 | 0 | None | 87 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 431 | 4 | 1 | 3 | 4.9 | O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL428563 | 166860 | 0 | None | 87 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 431 | 4 | 1 | 3 | 4.9 | O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1Cl)CC2 | 10.1016/j.bmcl.2007.01.069 | |||
| 44438968 | 168998 | 0 | None | 38 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 425 | 4 | 1 | 3 | 4.8 | Cc1ccccc1C(c1ccccc1C)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2007.01.069 | |||
| CHEMBL439212 | 168998 | 0 | None | 38 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 425 | 4 | 1 | 3 | 4.8 | Cc1ccccc1C(c1ccccc1C)N1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1016/j.bmcl.2007.01.069 | |||
| 46179067 | 125797 | 0 | None | 177 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 451 | 3 | 1 | 5 | 5.5 | O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCC2)c1=O | nan | |||
| CHEMBL3647960 | 125797 | 0 | None | 177 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 451 | 3 | 1 | 5 | 5.5 | O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCC2)c1=O | nan | |||
| 52951942 | 83594 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 436 | 5 | 1 | 4 | 4.0 | CNC(=O)[C@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm101487v | |||
| CHEMBL2204348 | 83594 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 436 | 5 | 1 | 4 | 4.0 | CNC(=O)[C@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12 | 10.1021/jm101487v | |||
| 60154190 | 77596 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 398 | 5 | 0 | 4 | 3.6 | CN(C)C(=O)C(Cc1ccccc1)CN1CCC2(CC1)OCCc1ccsc12 | 10.1021/jm201629q | |||
| CHEMBL2088040 | 77596 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 398 | 5 | 0 | 4 | 3.6 | CN(C)C(=O)C(Cc1ccccc1)CN1CCC2(CC1)OCCc1ccsc12 | 10.1021/jm201629q | |||
| 11956918 | 120548 | 0 | None | -8 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 390 | 3 | 1 | 3 | 5.0 | COc1ccc2[nH]c3c(c2c1)CCO[C@]31CC[C@](c2ccccc2)(N(C)C)CC1 | 10.1021/ml500117c | |||
| CHEMBL3325962 | 120548 | 0 | None | -8 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 390 | 3 | 1 | 3 | 5.0 | COc1ccc2[nH]c3c(c2c1)CCO[C@]31CC[C@](c2ccccc2)(N(C)C)CC1 | 10.1021/ml500117c | |||
| CHEMBL3545583 | 120548 | 0 | None | -8 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 390 | 3 | 1 | 3 | 5.0 | COc1ccc2[nH]c3c(c2c1)CCO[C@]31CC[C@](c2ccccc2)(N(C)C)CC1 | 10.1021/ml500117c | |||
| 134578456 | 172135 | 0 | None | 32 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 423 | 5 | 1 | 4 | 5.1 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN4CC[C@@H](O)C4)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| CHEMBL4473045 | 172135 | 0 | None | 32 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 423 | 5 | 1 | 4 | 5.1 | CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN4CC[C@@H](O)C4)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| 44451895 | 95805 | 0 | None | 5 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 528 | 10 | 0 | 7 | 5.7 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cccnc4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL258781 | 95805 | 0 | None | 5 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 528 | 10 | 0 | 7 | 5.7 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cccnc4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 44430047 | 154748 | 0 | None | 64 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 408 | 5 | 2 | 3 | 4.5 | NCc1ccccc1C1(O)CCN(C(c2cccc(F)c2)c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL400036 | 154748 | 0 | None | 64 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 408 | 5 | 2 | 3 | 4.5 | NCc1ccccc1C1(O)CCN(C(c2cccc(F)c2)c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2007.03.062 | |||
| 129188443 | 169535 | 3 | None | 38 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 324 | 3 | 0 | 2 | 5.5 | CC(C)[C@H]1CC[C@@H](N2CCC(n3ccc4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| CHEMBL4435280 | 169535 | 3 | None | 38 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 324 | 3 | 0 | 2 | 5.5 | CC(C)[C@H]1CC[C@@H](N2CCC(n3ccc4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02134 | |||
| 70682351 | 76661 | 0 | None | 24 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 423 | 5 | 0 | 3 | 3.4 | CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(c2ccc(F)cc2)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| CHEMBL2064158 | 76661 | 0 | None | 24 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 423 | 5 | 0 | 3 | 3.4 | CN(C)C(=O)[C@@H]1Cc2ccccc2N1C(=O)CCN1CCC(c2ccc(F)cc2)CC1 | 10.1016/j.ejmech.2012.07.021 | |||
| 71624268 | 90459 | 0 | None | -2 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 326 | 3 | 0 | 2 | 4.0 | CC(C1CCCCC1)N1CCC(N2C(=O)Cc3ccccc32)CC1 | 10.1016/j.bmcl.2013.03.101 | |||
| CHEMBL2387191 | 90459 | 0 | None | -2 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 326 | 3 | 0 | 2 | 4.0 | CC(C1CCCCC1)N1CCC(N2C(=O)Cc3ccccc32)CC1 | 10.1016/j.bmcl.2013.03.101 | |||
| 44252536 | 153291 | 0 | None | -6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 441 | 6 | 1 | 2 | 5.8 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)NCc2ccccc2)CC1 | nan | |||
| CHEMBL3977883 | 153291 | 0 | None | -6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 441 | 6 | 1 | 2 | 5.8 | CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C(=O)NCc2ccccc2)CC1 | nan | |||
| 24776410 | 97944 | 0 | None | 40 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 372 | 1 | 1 | 2 | 4.4 | CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)NCc2cc(F)ccc23)CC1 | 10.1021/jm7009606 | |||
| CHEMBL272592 | 97944 | 0 | None | 40 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 372 | 1 | 1 | 2 | 4.4 | CC(C)(C)C1CCC(N2CCC3(CC2)C(=O)NCc2cc(F)ccc23)CC1 | 10.1021/jm7009606 | |||
| 44391031 | 64842 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 415 | 6 | 2 | 6 | 3.8 | Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| CHEMBL182049 | 64842 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 415 | 6 | 2 | 6 | 3.8 | Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1 | 10.1016/j.bmcl.2004.11.049 | |||
| 44575091 | 189387 | 0 | None | 7 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 438 | 4 | 1 | 3 | 5.7 | OC1(c2cccnc2)C2CCC1CN(C(c1ccccc1Cl)c1ccccc1Cl)C2 | 10.1016/j.bmcl.2009.03.031 | |||
| CHEMBL512982 | 189387 | 0 | None | 7 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 438 | 4 | 1 | 3 | 5.7 | OC1(c2cccnc2)C2CCC1CN(C(c1ccccc1Cl)c1ccccc1Cl)C2 | 10.1016/j.bmcl.2009.03.031 | |||
| 44451620 | 95910 | 0 | None | 1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 519 | 10 | 1 | 9 | 3.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4nnn[nH]4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL259262 | 95910 | 0 | None | 1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 519 | 10 | 1 | 9 | 3.8 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4nnn[nH]4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 44430014 | 87346 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 399 | 7 | 1 | 2 | 6.1 | CCCCc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2007.03.062 | |||
| CHEMBL233287 | 87346 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 399 | 7 | 1 | 2 | 6.1 | CCCCc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2007.03.062 | |||
| 24776413 | 98008 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 328 | 4 | 1 | 2 | 3.7 | CC(C)C1CCC(N2CCC(C(N)=O)(c3ccccc3)CC2)CC1 | 10.1021/jm7009606 | |||
| CHEMBL272896 | 98008 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 328 | 4 | 1 | 2 | 3.7 | CC(C)C1CCC(N2CCC(C(N)=O)(c3ccccc3)CC2)CC1 | 10.1021/jm7009606 | |||
| 44253698 | 149468 | 0 | None | -3 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 473 | 7 | 0 | 7 | 4.4 | CN(C)c1nc(N(C)C)nc(N(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)n1 | nan | |||
| CHEMBL3946171 | 149468 | 0 | None | -3 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 473 | 7 | 0 | 7 | 4.4 | CN(C)c1nc(N(C)C)nc(N(C)C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)n1 | nan | |||
| 10150001 | 9160 | 0 | None | 5 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 342 | 5 | 1 | 2 | 4.9 | Cc1ccc([C@H](N)[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL110126 | 9160 | 0 | None | 5 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 342 | 5 | 1 | 2 | 4.9 | Cc1ccc([C@H](N)[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1 | 10.1016/s0960-894x(02)00652-2 | |||
| 44337351 | 108692 | 0 | None | 77 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 314 | 5 | 1 | 2 | 4.6 | CCC(c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| CHEMBL320804 | 108692 | 0 | None | 77 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 314 | 5 | 1 | 2 | 4.6 | CCC(c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1 | 10.1016/s0960-894x(02)00652-2 | |||
| 44413314 | 79952 | 0 | None | 5 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 397 | 4 | 1 | 4 | 4.7 | OCCn1cc(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2cccnc21 | 10.1016/j.bmcl.2006.03.094 | |||
| CHEMBL212630 | 79952 | 0 | None | 5 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 397 | 4 | 1 | 4 | 4.7 | OCCn1cc(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2cccnc21 | 10.1016/j.bmcl.2006.03.094 | |||
| 44252100 | 149134 | 0 | None | -10 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 403 | 5 | 0 | 4 | 4.7 | CN(C)C1(C(=O)c2cc3ccccc3n2C)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| CHEMBL3943372 | 149134 | 0 | None | -10 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 403 | 5 | 0 | 4 | 4.7 | CN(C)C1(C(=O)c2cc3ccccc3n2C)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| 44252537 | 153838 | 0 | None | -2 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 379 | 5 | 1 | 2 | 4.6 | CCNC(=O)N(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| CHEMBL3982674 | 153838 | 0 | None | -2 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 379 | 5 | 1 | 2 | 4.6 | CCNC(=O)N(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 | nan | |||
| 44451647 | 156188 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 532 | 10 | 0 | 9 | 4.4 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ncn(C)n4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| CHEMBL406409 | 156188 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 532 | 10 | 0 | 9 | 4.4 | COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4ncn(C)n4)c4ccccc43)CC2)C(C)C)c1 | 10.1016/j.bmc.2008.01.005 | |||
| 44394529 | 67220 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 433 | 4 | 1 | 3 | 4.2 | O=S1(=O)NCc2ccccc2N1C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| CHEMBL187907 | 67220 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 433 | 4 | 1 | 3 | 4.2 | O=S1(=O)NCc2ccccc2N1C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 | 10.1016/j.bmcl.2004.08.001 | |||
| 44402676 | 136013 | 0 | None | -2 | 3 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 449 | 2 | 0 | 4 | 6.7 | Cc1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1 | 10.1016/j.bmcl.2005.03.076 | |||
| CHEMBL373174 | 136013 | 0 | None | -2 | 3 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 449 | 2 | 0 | 4 | 6.7 | Cc1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1 | 10.1016/j.bmcl.2005.03.076 | |||
| 122179050 | 121392 | 0 | None | -1230 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 485 | 5 | 2 | 5 | 4.5 | CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| CHEMBL3581740 | 121392 | 0 | None | -1230 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 485 | 5 | 2 | 5 | 4.5 | CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 10.1021/acs.jmedchem.5b00130 | |||
| 44328202 | 207655 | 0 | None | -1230 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 385 | 5 | 4 | 9 | 1.3 | CC(C)c1ccccc1Nc1ncnc2c1ncn2[C@H]1OC(CO)C(O)C1O | nan | |||
| CHEMBL95302 | 207655 | 0 | None | -1230 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 385 | 5 | 4 | 9 | 1.3 | CC(C)c1ccccc1Nc1ncnc2c1ncn2[C@H]1OC(CO)C(O)C1O | nan | |||
| 122179050 | 121392 | 0 | None | -1230 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 485 | 5 | 2 | 5 | 4.5 | CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | nan | |||
| CHEMBL3581740 | 121392 | 0 | None | -1230 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 485 | 5 | 2 | 5 | 4.5 | CO[C@]12C=C[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | nan | |||
| 11848225 | 876 | 52 | None | -4 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/ml500117c | |||
| 8866 | 876 | 52 | None | -4 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/ml500117c | |||
| CHEMBL2364605 | 876 | 52 | None | -4 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/ml500117c | |||
| CHEMBL3545616 | 876 | 52 | None | -4 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/ml500117c | |||
| CHEMBL3962932 | 876 | 52 | None | -4 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/ml500117c | |||
| DB12830 | 876 | 52 | None | -4 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 10.1021/ml500117c | |||
| 44413232 | 141533 | 0 | None | 1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 443 | 7 | 1 | 4 | 5.2 | CN(C)C[C@@H](O)Cn1cc(C2CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc21 | 10.1016/j.bmcl.2006.03.094 | |||
| CHEMBL384681 | 141533 | 0 | None | 1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 443 | 7 | 1 | 4 | 5.2 | CN(C)C[C@@H](O)Cn1cc(C2CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc21 | 10.1016/j.bmcl.2006.03.094 | |||
| 118718287 | 115323 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 576 | 7 | 1 | 4 | 7.2 | CC(=O)NC[C@]1(c2ccc(N3CCCCC3)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| CHEMBL3349271 | 115323 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 576 | 7 | 1 | 4 | 7.2 | CC(=O)NC[C@]1(c2ccc(N3CCCCC3)cn2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl | 10.1016/j.bmcl.2008.10.088 | |||
| 46917150 | 153037 | 0 | None | 1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 429 | 5 | 0 | 4 | 5.2 | CN(C)C1(c2ccccc2)CCC(C(=O)c2cc3ccccc3n2C)(N2CCCC2)CC1 | nan | |||
| CHEMBL3975775 | 153037 | 0 | None | 1 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 429 | 5 | 0 | 4 | 5.2 | CN(C)C1(c2ccccc2)CCC(C(=O)c2cc3ccccc3n2C)(N2CCCC2)CC1 | nan | |||
| 44252388 | 151162 | 0 | None | -2 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 375 | 4 | 1 | 2 | 5.3 | Cc1c(C2(N(C)C)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccccc12 | nan | |||
| CHEMBL3959625 | 151162 | 0 | None | -2 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 375 | 4 | 1 | 2 | 5.3 | Cc1c(C2(N(C)C)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccccc12 | nan | |||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | None | None | None | None | 8849681 | |||||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | None | None | None | None | 9353393 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | None | None | None | None | 8849681 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | None | None | None | None | 9353393 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | None | None | None | None | 8849681 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | None | None | None | None | 9353393 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | None | None | None | None | 8849681 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | None | None | None | None | 9353393 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | None | None | None | None | 8849681 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | None | None | None | None | 9353393 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | None | None | None | None | 8849681 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 10.0 | pKd | = | 10.0 | Binding | Guide to Pharmacology | None | None | None | None | 9353393 | |||||
| 1685 | 3927 | 0 | None | - | 1 | Human | 10.7 | pKd | None | 10.7 | Binding | Guide to Pharmacology | None | None | None | None | 15509719 | |||||
| 23383556 | 179355 | 0 | UNDEFINED | 25 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 488 | 9 | 1 | 4 | 5.0 | CCCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | None | |||
| CHEMBL473700 | 179355 | 0 | UNDEFINED | 25 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 488 | 9 | 1 | 4 | 5.0 | CCCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | None | |||
| 25190623 | 189711 | 0 | UNDEFINED | 204 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 502 | 8 | 1 | 4 | 5.6 | CC(C)CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | None | |||
| CHEMBL515575 | 189711 | 0 | UNDEFINED | 204 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 502 | 8 | 1 | 4 | 5.6 | CC(C)CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | None | |||
| 25190602 | 179222 | 0 | UNDEFINED | 50 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 486 | 8 | 1 | 4 | 4.6 | O=C1N(CCNCC2CC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2 | None | |||
| CHEMBL472669 | 179222 | 0 | UNDEFINED | 50 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 486 | 8 | 1 | 4 | 4.6 | O=C1N(CCNCC2CC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2 | None | |||
| 25190619 | 179304 | 0 | UNDEFINED | 123 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 488 | 7 | 1 | 4 | 5.2 | CC(C)CNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | None | |||
| CHEMBL473279 | 179304 | 0 | UNDEFINED | 123 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 488 | 7 | 1 | 4 | 5.2 | CC(C)CNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | None | |||
| 25190622 | 179484 | 0 | UNDEFINED | 131 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 488 | 8 | 1 | 4 | 5.3 | CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | None | |||
| CHEMBL474096 | 179484 | 0 | UNDEFINED | 131 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 488 | 8 | 1 | 4 | 5.3 | CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | None | |||
| 25190605 | 180490 | 0 | UNDEFINED | 15 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 488 | 8 | 1 | 4 | 4.9 | CC(C)CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | None | |||
| CHEMBL475310 | 180490 | 0 | UNDEFINED | 15 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 488 | 8 | 1 | 4 | 4.9 | CC(C)CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | None | |||
| 25190603 | 189814 | 0 | UNDEFINED | 57 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 486 | 7 | 1 | 4 | 4.8 | O=C1N(CCNC2CCC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2 | None | |||
| CHEMBL516389 | 189814 | 0 | UNDEFINED | 57 | 4 | Human | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 486 | 7 | 1 | 4 | 4.8 | O=C1N(CCNC2CCC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2 | None | |||
| 25190629 | 179113 | 0 | UNDEFINED | 41 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 522 | 8 | 1 | 4 | 6.0 | CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4cc(Cl)ccc43)CC2)C1=O | None | |||
| CHEMBL471880 | 179113 | 0 | UNDEFINED | 41 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 522 | 8 | 1 | 4 | 6.0 | CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4cc(Cl)ccc43)CC2)C1=O | None | |||
| 25190604 | 189588 | 0 | UNDEFINED | 21 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 474 | 8 | 1 | 4 | 4.6 | CCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | None | |||
| CHEMBL514662 | 189588 | 0 | UNDEFINED | 21 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 474 | 8 | 1 | 4 | 4.6 | CCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | None | |||
| 25190625 | 179115 | 0 | UNDEFINED | 37 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 528 | 7 | 1 | 4 | 6.1 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCC2CCCCC2)CN3c2ccccc2)c2ccccc21 | None | |||
| CHEMBL471882 | 179115 | 0 | UNDEFINED | 37 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 528 | 7 | 1 | 4 | 6.1 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCC2CCCCC2)CN3c2ccccc2)c2ccccc21 | None | |||
| 25190601 | 180838 | 0 | UNDEFINED | 56 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 474 | 7 | 1 | 4 | 4.6 | CC(C)NCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | None | |||
| CHEMBL475707 | 180838 | 0 | UNDEFINED | 56 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 474 | 7 | 1 | 4 | 4.6 | CC(C)NCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | None | |||
| 25190600 | 189653 | 0 | UNDEFINED | 75 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 460 | 7 | 1 | 4 | 4.2 | CCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | None | |||
| CHEMBL515142 | 189653 | 0 | UNDEFINED | 75 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 460 | 7 | 1 | 4 | 4.2 | CCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | None | |||
| 25190618 | 179303 | 0 | UNDEFINED | 218 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 486 | 7 | 1 | 4 | 4.9 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCC2CC2)CN3c2ccccc2)c2ccccc21 | None | |||
| CHEMBL473278 | 179303 | 0 | UNDEFINED | 218 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 486 | 7 | 1 | 4 | 4.9 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCC2CC2)CN3c2ccccc2)c2ccccc21 | None | |||
| 25190599 | 190021 | 0 | UNDEFINED | 85 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 446 | 6 | 1 | 4 | 3.9 | CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | None | |||
| CHEMBL517167 | 190021 | 0 | UNDEFINED | 85 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 446 | 6 | 1 | 4 | 3.9 | CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | None | |||
| 25190616 | 180298 | 0 | UNDEFINED | 223 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 472 | 7 | 1 | 4 | 4.7 | C=CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | None | |||
| CHEMBL475094 | 180298 | 0 | UNDEFINED | 223 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 472 | 7 | 1 | 4 | 4.7 | C=CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | None | |||
| 25190614 | 189564 | 0 | UNDEFINED | 37 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 514 | 6 | 1 | 4 | 5.9 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCCCC2)CN3c2ccccc2)c2ccccc21 | None | |||
| CHEMBL514463 | 189564 | 0 | UNDEFINED | 37 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 514 | 6 | 1 | 4 | 5.9 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCCCC2)CN3c2ccccc2)c2ccccc21 | None | |||
| 25190613 | 189645 | 0 | UNDEFINED | 54 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 500 | 6 | 1 | 4 | 5.5 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCCC2)CN3c2ccccc2)c2ccccc21 | None | |||
| CHEMBL515091 | 189645 | 0 | UNDEFINED | 54 | 4 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 500 | 6 | 1 | 4 | 5.5 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCCC2)CN3c2ccccc2)c2ccccc21 | None | |||
| 25190615 | 179299 | 0 | UNDEFINED | 42 | 4 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 474 | 7 | 1 | 4 | 4.9 | CCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | None | |||
| CHEMBL473272 | 179299 | 0 | UNDEFINED | 42 | 4 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 474 | 7 | 1 | 4 | 4.9 | CCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | None | |||
| 25190606 | 179356 | 0 | UNDEFINED | 56 | 4 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 488 | 8 | 0 | 4 | 5.0 | CCN(CC)CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | None | |||
| CHEMBL473701 | 179356 | 0 | UNDEFINED | 56 | 4 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 488 | 8 | 0 | 4 | 5.0 | CCN(CC)CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O | None | |||
| 25190624 | 91129 | 0 | UNDEFINED | 37 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 389 | 2 | 1 | 3 | 4.2 | CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccccc21 | None | |||
| CHEMBL239822 | 91129 | 0 | UNDEFINED | 37 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 389 | 2 | 1 | 3 | 4.2 | CC1(C)CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccccc21 | None | |||
| 25190621 | 179377 | 0 | UNDEFINED | 48 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 486 | 5 | 0 | 4 | 5.0 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCN2CCCC2)CN3c2ccccc2)c2ccccc21 | None | |||
| CHEMBL473898 | 179377 | 0 | UNDEFINED | 48 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 486 | 5 | 0 | 4 | 5.0 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCN2CCCC2)CN3c2ccccc2)c2ccccc21 | None | |||
| 25190612 | 189569 | 0 | UNDEFINED | 47 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 474 | 6 | 1 | 4 | 4.9 | CC(C)NCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | None | |||
| CHEMBL514489 | 189569 | 0 | UNDEFINED | 47 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 474 | 6 | 1 | 4 | 4.9 | CC(C)NCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | None | |||
| 25190617 | 179479 | 0 | UNDEFINED | 29 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 486 | 6 | 1 | 4 | 5.1 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCC2)CN3c2ccccc2)c2ccccc21 | None | |||
| CHEMBL474092 | 179479 | 0 | UNDEFINED | 29 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 486 | 6 | 1 | 4 | 5.1 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCC2)CN3c2ccccc2)c2ccccc21 | None | |||
| 25190611 | 179975 | 0 | UNDEFINED | 23 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 460 | 6 | 1 | 4 | 4.6 | CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | None | |||
| CHEMBL474687 | 179975 | 0 | UNDEFINED | 23 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 460 | 6 | 1 | 4 | 4.6 | CCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | None | |||
| 25190609 | 179624 | 0 | UNDEFINED | 34 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 433 | 4 | 1 | 4 | 3.9 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCO)CN3c2ccccc2)c2ccccc21 | None | |||
| CHEMBL474283 | 179624 | 0 | UNDEFINED | 34 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 433 | 4 | 1 | 4 | 3.9 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCO)CN3c2ccccc2)c2ccccc21 | None | |||
| 25190628 | 189169 | 0 | UNDEFINED | 7 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 494 | 8 | 1 | 4 | 5.2 | CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCCc4c(Cl)cccc43)CC2)C1=O | None | |||
| CHEMBL511161 | 189169 | 0 | UNDEFINED | 7 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 494 | 8 | 1 | 4 | 5.2 | CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCCc4c(Cl)cccc43)CC2)C1=O | None | |||
| None | 216303 | 0 | UNDEFINED | -48977 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 341 | 2 | 2 | 5 | 1.5 | C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O | None | |||
| None | 217470 | 0 | UNDEFINED | -245470 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 550 | 4 | 5 | 7 | 2.2 | CC1=CC=C(C=C1)C(=O)NC2CCC3(C4CC5=C6C3(C2OC6=C(C=C5)O)CCN4CC7CC7)O.C(=O)(C(=O)O)O | None | |||
| None | 217472 | 0 | UNDEFINED | -1071519 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 614 | 4 | 5 | 7 | 2.7 | C1CC1CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)NC(=O)C7=CC=C(C=C7)Br.C(=O)(C(=O)O)O | None | |||
| None | 217473 | 0 | UNDEFINED | -2691 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 662 | 4 | 5 | 7 | 2.5 | C1CC1CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)NC(=O)C7=CC=C(C=C7)I.C(=O)(C(=O)O)O | None | |||
| None | 217474 | 0 | UNDEFINED | -2691 | 4 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 592 | 4 | 5 | 7 | 3.2 | CC(C)(C)C1=CC=C(C=C1)C(=O)NC2CCC3(C4CC5=C6C3(C2OC6=C(C=C5)O)CCN4CC7CC7)O.C(=O)(C(=O)O)O | None | |||
| 25190592 | 188211 | 0 | UNDEFINED | 56 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 592 | 9 | 0 | 4 | 7.3 | CC(C)N(CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O)C(C)C | None | |||
| CHEMBL499169 | 188211 | 0 | UNDEFINED | 56 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 592 | 9 | 0 | 4 | 7.3 | CC(C)N(CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O)C(C)C | None | |||
| 25190630 | 179143 | 0 | UNDEFINED | 12 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 556 | 8 | 1 | 4 | 6.6 | CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4cc(Cl)c(Cl)cc43)CC2)C1=O | None | |||
| CHEMBL472086 | 179143 | 0 | UNDEFINED | 12 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 556 | 8 | 1 | 4 | 6.6 | CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4cc(Cl)c(Cl)cc43)CC2)C1=O | None | |||
| 25190627 | 189788 | 0 | UNDEFINED | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 494 | 8 | 1 | 4 | 5.2 | CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCCc4ccc(Cl)cc43)CC2)C1=O | None | |||
| CHEMBL516187 | 189788 | 0 | UNDEFINED | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 494 | 8 | 1 | 4 | 5.2 | CCCCNCCN1CN(c2ccccc2)C2(CCN(C3CCCc4ccc(Cl)cc43)CC2)C1=O | None | |||
| 25190583 | 179373 | 0 | UNDEFINED | 25 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 509 | 6 | 1 | 4 | 5.2 | O=C1N(CCO)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | None | |||
| CHEMBL473884 | 179373 | 0 | UNDEFINED | 25 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 509 | 6 | 1 | 4 | 5.2 | O=C1N(CCO)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | None | |||
| 25190582 | 189774 | 0 | UNDEFINED | 34 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 537 | 6 | 0 | 5 | 5.4 | COC(=O)CN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | None | |||
| CHEMBL516077 | 189774 | 0 | UNDEFINED | 34 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 537 | 6 | 0 | 5 | 5.4 | COC(=O)CN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | None | |||
| 25190610 | 179799 | 0 | UNDEFINED | 16 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 446 | 5 | 1 | 4 | 4.2 | CNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | None | |||
| CHEMBL474485 | 179799 | 0 | UNDEFINED | 16 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 446 | 5 | 1 | 4 | 4.2 | CNCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | None | |||
| 25190586 | 180301 | 0 | UNDEFINED | 239 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 536 | 8 | 1 | 4 | 5.8 | CCNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | None | |||
| CHEMBL475096 | 180301 | 0 | UNDEFINED | 239 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 536 | 8 | 1 | 4 | 5.8 | CCNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | None | |||
| 25190593 | 189736 | 0 | UNDEFINED | 77 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 564 | 10 | 1 | 4 | 6.6 | CCCCNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | None | |||
| CHEMBL515829 | 189736 | 0 | UNDEFINED | 77 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 564 | 10 | 1 | 4 | 6.6 | CCCCNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | None | |||
| 9937777 | 175355 | 0 | UNDEFINED | 114 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 562 | 7 | 0 | 4 | 6.3 | O=C1N(CCN2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | None | |||
| CHEMBL457451 | 175355 | 0 | UNDEFINED | 114 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 562 | 7 | 0 | 4 | 6.3 | O=C1N(CCN2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | None | |||
| 25190598 | 91287 | 0 | UNDEFINED | 12 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 389 | 3 | 1 | 3 | 3.9 | O=C1NCN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2 | None | |||
| CHEMBL240215 | 91287 | 0 | UNDEFINED | 12 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 389 | 3 | 1 | 3 | 3.9 | O=C1NCN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2 | None | |||
| 10323169 | 179380 | 0 | UNDEFINED | 6 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 486 | 6 | 0 | 4 | 4.7 | O=C1N(CCN2CCCC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2 | None | |||
| CHEMBL473904 | 179380 | 0 | UNDEFINED | 6 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 486 | 6 | 0 | 4 | 4.7 | O=C1N(CCN2CCCC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2 | None | |||
| 25190587 | 190767 | 0 | UNDEFINED | 181 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 550 | 8 | 1 | 4 | 6.2 | CC(C)NCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | None | |||
| CHEMBL518325 | 190767 | 0 | UNDEFINED | 181 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 550 | 8 | 1 | 4 | 6.2 | CC(C)NCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | None | |||
| 25190594 | 175259 | 0 | UNDEFINED | 87 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 564 | 9 | 1 | 4 | 6.5 | CC(C)CNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | None | |||
| CHEMBL457244 | 175259 | 0 | UNDEFINED | 87 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 564 | 9 | 1 | 4 | 6.5 | CC(C)CNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | None | |||
| 25190579 | 189631 | 0 | UNDEFINED | 3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 437 | 6 | 0 | 3 | 5.1 | C=CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | None | |||
| CHEMBL514965 | 189631 | 0 | UNDEFINED | 3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 437 | 6 | 0 | 3 | 5.1 | C=CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | None | |||
| 15541261 | 91574 | 0 | UNDEFINED | 6 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 397 | 4 | 1 | 3 | 4.2 | O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2 | None | |||
| CHEMBL240657 | 91574 | 0 | UNDEFINED | 6 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 397 | 4 | 1 | 3 | 4.2 | O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2 | None | |||
| 25190578 | 180002 | 0 | UNDEFINED | 5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 435 | 5 | 0 | 3 | 4.6 | C#CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | None | |||
| CHEMBL474708 | 180002 | 0 | UNDEFINED | 5 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 435 | 5 | 0 | 3 | 4.6 | C#CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | None | |||
| 25190584 | 189764 | 0 | UNDEFINED | 27 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 523 | 7 | 0 | 4 | 5.9 | COCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | None | |||
| CHEMBL516024 | 189764 | 0 | UNDEFINED | 27 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 523 | 7 | 0 | 4 | 5.9 | COCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | None | |||
| 25190596 | 177687 | 0 | UNDEFINED | 19 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 576 | 8 | 0 | 4 | 6.7 | O=C1N(CCCN2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | None | |||
| CHEMBL464191 | 177687 | 0 | UNDEFINED | 19 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 576 | 8 | 0 | 4 | 6.7 | O=C1N(CCCN2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | None | |||
| 25190590 | 176793 | 0 | UNDEFINED | 91 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 536 | 7 | 0 | 4 | 5.8 | CN(C)CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | None | |||
| CHEMBL460636 | 176793 | 0 | UNDEFINED | 91 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 536 | 7 | 0 | 4 | 5.8 | CN(C)CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | None | |||
| 25190626 | 189170 | 0 | UNDEFINED | 38 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 522 | 7 | 1 | 4 | 5.7 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCc2ccccc2)CN3c2ccccc2)c2ccccc21 | None | |||
| CHEMBL511162 | 189170 | 0 | UNDEFINED | 38 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 522 | 7 | 1 | 4 | 5.7 | CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCc2ccccc2)CN3c2ccccc2)c2ccccc21 | None | |||
| 25190591 | 190077 | 0 | UNDEFINED | 263 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 548 | 8 | 1 | 4 | 6.0 | O=C1N(CCNC2CC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | None | |||
| CHEMBL517265 | 190077 | 0 | UNDEFINED | 263 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 548 | 8 | 1 | 4 | 6.0 | O=C1N(CCNC2CC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | None | |||
| 25190595 | 188352 | 0 | UNDEFINED | 70 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 604 | 9 | 1 | 4 | 7.4 | O=C1N(CCNCC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | None | |||
| CHEMBL501088 | 188352 | 0 | UNDEFINED | 70 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 604 | 9 | 1 | 4 | 7.4 | O=C1N(CCNCC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | None | |||
| 10158555 | 189103 | 0 | UNDEFINED | 4 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 411 | 4 | 0 | 3 | 4.5 | CN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | None | |||
| CHEMBL510201 | 189103 | 0 | UNDEFINED | 4 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 411 | 4 | 0 | 3 | 4.5 | CN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | None | |||
| 25190573 | 180487 | 0 | UNDEFINED | 39 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 439 | 6 | 0 | 3 | 5.3 | CCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | None | |||
| CHEMBL475308 | 180487 | 0 | UNDEFINED | 39 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 439 | 6 | 0 | 3 | 5.3 | CCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | None | |||
| 9806799 | 179272 | 0 | UNDEFINED | 141 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 522 | 7 | 1 | 4 | 5.4 | CNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | None | |||
| CHEMBL473068 | 179272 | 0 | UNDEFINED | 141 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 522 | 7 | 1 | 4 | 5.4 | CNCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | None | |||
| None | 217471 | 0 | UNDEFINED | -9 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 604 | 4 | 5 | 7 | 2.9 | C1CC1CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)NC(=O)C7=CC=C(C=C7)C(F)(F)F.C(=O)(C(=O)O)O | None | |||
| 25190608 | 189240 | 0 | UNDEFINED | 3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 445 | 4 | 0 | 4 | 4.5 | CC(=O)CN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | None | |||
| CHEMBL511649 | 189240 | 0 | UNDEFINED | 3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 445 | 4 | 0 | 4 | 4.5 | CC(=O)CN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | None | |||
| 25190585 | 179248 | 0 | UNDEFINED | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 508 | 6 | 1 | 4 | 5.2 | NCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | None | |||
| CHEMBL472867 | 179248 | 0 | UNDEFINED | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 508 | 6 | 1 | 4 | 5.2 | NCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | None | |||
| 25190580 | 180636 | 0 | UNDEFINED | 204 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 521 | 7 | 0 | 3 | 7.0 | CCCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | None | |||
| CHEMBL475496 | 180636 | 0 | UNDEFINED | 204 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 521 | 7 | 0 | 3 | 7.0 | CCCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | None | |||
| 25190589 | 189142 | 0 | UNDEFINED | 44 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 590 | 8 | 1 | 4 | 7.1 | O=C1N(CCNC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | None | |||
| CHEMBL510745 | 189142 | 0 | UNDEFINED | 44 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 590 | 8 | 1 | 4 | 7.1 | O=C1N(CCNC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | None | |||
| 25190607 | 179032 | 0 | UNDEFINED | 26 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 431 | 4 | 0 | 3 | 5.4 | CCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | None | |||
| CHEMBL471262 | 179032 | 0 | UNDEFINED | 26 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 431 | 4 | 0 | 3 | 5.4 | CCCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O | None | |||
| 1222 | 1662 | 49 | UNDEFINED | -194 | 33 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 3396 | 1662 | 49 | UNDEFINED | -194 | 33 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 85 | 1662 | 49 | UNDEFINED | -194 | 33 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| CHEMBL46516 | 1662 | 49 | UNDEFINED | -194 | 33 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| DB04842 | 1662 | 49 | UNDEFINED | -194 | 33 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 25190576 | 189749 | 0 | UNDEFINED | 35 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 465 | 6 | 0 | 3 | 5.7 | O=C1N(CC2CCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2 | None | |||
| CHEMBL515901 | 189749 | 0 | UNDEFINED | 35 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 465 | 6 | 0 | 3 | 5.7 | O=C1N(CC2CCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2 | None | |||
| 25190581 | 180639 | 0 | UNDEFINED | 199 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 535 | 7 | 0 | 3 | 7.3 | CC(C)CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | None | |||
| CHEMBL475497 | 180639 | 0 | UNDEFINED | 199 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 535 | 7 | 0 | 3 | 7.3 | CC(C)CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O | None | |||
| 25190574 | 189583 | 0 | UNDEFINED | 13 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 453 | 7 | 0 | 3 | 5.7 | CCCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | None | |||
| CHEMBL514606 | 189583 | 0 | UNDEFINED | 13 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 453 | 7 | 0 | 3 | 5.7 | CCCCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | None | |||
| 1222 | 1662 | 49 | None | -194 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 3396 | 1662 | 49 | None | -194 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 85 | 1662 | 49 | None | -194 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| CHEMBL46516 | 1662 | 49 | None | -194 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| DB04842 | 1662 | 49 | None | -194 | 33 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 25190620 | 179305 | 0 | UNDEFINED | 12 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 516 | 7 | 0 | 4 | 6.1 | CC(C)N(CCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O)C(C)C | None | |||
| CHEMBL473280 | 179305 | 0 | UNDEFINED | 12 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 516 | 7 | 0 | 4 | 6.1 | CC(C)N(CCN1CN(c2ccccc2)C2(CCN(C3CCC(C)(C)c4ccccc43)CC2)C1=O)C(C)C | None | |||
| 9934232 | 91806 | 0 | UNDEFINED | 407 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 465 | 4 | 1 | 3 | 5.5 | O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | None | |||
| CHEMBL241272 | 91806 | 0 | UNDEFINED | 407 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 465 | 4 | 1 | 3 | 5.5 | O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | None | |||
| 10252647 | 179223 | 0 | UNDEFINED | 8 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 439 | 5 | 0 | 3 | 5.3 | CC(C)N1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | None | |||
| CHEMBL472676 | 179223 | 0 | UNDEFINED | 8 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 439 | 5 | 0 | 3 | 5.3 | CC(C)N1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | None | |||
| 3033050 | 216000 | 0 | None | -5 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 467 | 4 | 2 | 5 | 4.4 | CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O | None | |||
| 1627 | 2592 | 20 | None | -5 | 13 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 285 | 0 | 2 | 4 | 1.2 | O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O | None | |||
| 1845 | 2592 | 20 | None | -5 | 13 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 285 | 0 | 2 | 4 | 1.2 | O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O | None | |||
| 5288826 | 2592 | 20 | None | -5 | 13 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 285 | 0 | 2 | 4 | 1.2 | O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O | None | |||
| CHEMBL70 | 2592 | 20 | None | -5 | 13 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 285 | 0 | 2 | 4 | 1.2 | O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O | None | |||
| DB00295 | 2592 | 20 | None | -5 | 13 | Guinea pig | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 285 | 0 | 2 | 4 | 1.2 | O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O | None | |||
| 25190597 | 177688 | 0 | UNDEFINED | 35 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 576 | 7 | 0 | 4 | 6.7 | O=C1N(CCN2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | None | |||
| CHEMBL464192 | 177688 | 0 | UNDEFINED | 35 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 576 | 7 | 0 | 4 | 6.7 | O=C1N(CCN2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | None | |||
| 25190588 | 174800 | 0 | UNDEFINED | 28 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 576 | 8 | 1 | 4 | 6.8 | O=C1N(CCNC2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | None | |||
| CHEMBL456225 | 174800 | 0 | UNDEFINED | 28 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 576 | 8 | 1 | 4 | 6.8 | O=C1N(CCNC2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 | None | |||
| 25190575 | 179224 | 0 | UNDEFINED | 7 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 451 | 6 | 0 | 3 | 5.3 | O=C1N(CC2CC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2 | None | |||
| CHEMBL472677 | 179224 | 0 | UNDEFINED | 7 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 451 | 6 | 0 | 3 | 5.3 | O=C1N(CC2CC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2 | None | |||
| 25190572 | 179477 | 0 | UNDEFINED | 6 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 425 | 5 | 0 | 3 | 4.9 | CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | None | |||
| CHEMBL474091 | 179477 | 0 | UNDEFINED | 6 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 425 | 5 | 0 | 3 | 4.9 | CCN1CN(c2ccccc2)C2(CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O | None | |||
| 25190577 | 189709 | 0 | UNDEFINED | 26 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 493 | 6 | 0 | 3 | 6.5 | O=C1N(CC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2 | None | |||
| CHEMBL515554 | 189709 | 0 | UNDEFINED | 26 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 493 | 6 | 0 | 3 | 6.5 | O=C1N(CC2CCCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2 | None | |||
| 12419 | 2472 | 29 | None | 12 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 3 | 1 | 4 | 5.6 | CC1(CCCCCCC1)N2CCC(CC2)N3C(=NC4=C3C=CC=C4)[C@H]5CNCCC5 | 19125610 | |||
| 24800108 | 2472 | 29 | None | 12 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 3 | 1 | 4 | 5.6 | CC1(CCCCCCC1)N2CCC(CC2)N3C(=NC4=C3C=CC=C4)[C@H]5CNCCC5 | 19125610 | |||
| CHEMBL481512 | 2472 | 29 | None | 12 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | 408 | 3 | 1 | 4 | 5.6 | CC1(CCCCCCC1)N2CCC(CC2)N3C(=NC4=C3C=CC=C4)[C@H]5CNCCC5 | 19125610 | |||
| 49843739 | 3666 | 0 | None | 6 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 386 | 2 | 0 | 2 | 5.0 | O=C1Cc2c(N1C1CCN(CC1)C1CCC3c4c1cccc4CCC3)cccc2 | 19773529 | |||
| 8867 | 3666 | 0 | None | 6 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 386 | 2 | 0 | 2 | 5.0 | O=C1Cc2c(N1C1CCN(CC1)C1CCC3c4c1cccc4CCC3)cccc2 | 19773529 | |||
| CHEMBL3262554 | 3666 | 0 | None | 6 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 386 | 2 | 0 | 2 | 5.0 | O=C1Cc2c(N1C1CCN(CC1)C1CCC3c4c1cccc4CCC3)cccc2 | 19773529 | |||
| 11597355 | 3552 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 439 | 4 | 1 | 4 | 5.4 | Clc1ccccc1C(c1ccccc1Cl)N1[C@@H]2CC[C@H]1CC(C2)(O)c1ncccn1 | 20006596 | |||
| 8869 | 3552 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 439 | 4 | 1 | 4 | 5.4 | Clc1ccccc1C(c1ccccc1Cl)N1[C@@H]2CC[C@H]1CC(C2)(O)c1ncccn1 | 20006596 | |||
| 8870 | 508 | 0 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 437 | 6 | 4 | 5 | 3.1 | Oc1ccc2c(c1)CN[C@H](C2)C(=O)N[C@@H](C(C)C)CN1CCC(CC1)c1cccc(c1)O | 25635572 | |||
| 91938095 | 508 | 0 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 437 | 6 | 4 | 5 | 3.1 | Oc1ccc2c(c1)CN[C@H](C2)C(=O)N[C@@H](C(C)C)CN1CCC(CC1)c1cccc(c1)O | 25635572 | |||
| CHEMBL3613442 | 508 | 0 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 437 | 6 | 4 | 5 | 3.1 | Oc1ccc2c(c1)CN[C@H](C2)C(=O)N[C@@H](C(C)C)CN1CCC(CC1)c1cccc(c1)O | 25635572 | |||
| 8868 | 3545 | 31 | None | -3 | 6 | Mouse | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 397 | 4 | 1 | 2 | 5.9 | Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(C2)(O)c1ccccc1 | 18492950 | |||
| 9887077 | 3545 | 31 | None | -3 | 6 | Mouse | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 397 | 4 | 1 | 2 | 5.9 | Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(C2)(O)c1ccccc1 | 18492950 | |||
| CHEMBL513136 | 3545 | 31 | None | -3 | 6 | Mouse | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 397 | 4 | 1 | 2 | 5.9 | Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(C2)(O)c1ccccc1 | 18492950 | |||
| 11848225 | 876 | 52 | None | 2 | 7 | Rat | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 24713140 | |||
| 8866 | 876 | 52 | None | 2 | 7 | Rat | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 24713140 | |||
| CHEMBL2364605 | 876 | 52 | None | 2 | 7 | Rat | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 24713140 | |||
| CHEMBL3545616 | 876 | 52 | None | 2 | 7 | Rat | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 24713140 | |||
| CHEMBL3962932 | 876 | 52 | None | 2 | 7 | Rat | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 24713140 | |||
| DB12830 | 876 | 52 | None | 2 | 7 | Rat | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 24713140 | |||
| 11848225 | 876 | 52 | None | -4 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 24713140 | |||
| 8866 | 876 | 52 | None | -4 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 24713140 | |||
| CHEMBL2364605 | 876 | 52 | None | -4 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 24713140 | |||
| CHEMBL3545616 | 876 | 52 | None | -4 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 24713140 | |||
| CHEMBL3962932 | 876 | 52 | None | -4 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 24713140 | |||
| DB12830 | 876 | 52 | None | -4 | 7 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 378 | 2 | 1 | 2 | 5.1 | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 | 24713140 | |||
| 8868 | 3545 | 31 | None | -1 | 6 | Rat | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 397 | 4 | 1 | 2 | 5.9 | Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(C2)(O)c1ccccc1 | 18492950 | |||
| 9887077 | 3545 | 31 | None | -1 | 6 | Rat | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 397 | 4 | 1 | 2 | 5.9 | Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(C2)(O)c1ccccc1 | 18492950 | |||
| CHEMBL513136 | 3545 | 31 | None | -1 | 6 | Rat | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 397 | 4 | 1 | 2 | 5.9 | Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(C2)(O)c1ccccc1 | 18492950 | |||
| 8868 | 3545 | 31 | None | 1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 397 | 4 | 1 | 2 | 5.9 | Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(C2)(O)c1ccccc1 | 18492950 | |||
| 9887077 | 3545 | 31 | None | 1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 397 | 4 | 1 | 2 | 5.9 | Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(C2)(O)c1ccccc1 | 18492950 | |||
| CHEMBL513136 | 3545 | 31 | None | 1 | 6 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 397 | 4 | 1 | 2 | 5.9 | Cc1ccccc1C(c1ccccc1C)N1C2CCC1CC(C2)(O)c1ccccc1 | 18492950 | |||
| 52914971 | 2405 | 37 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 480 | 4 | 1 | 7 | 4.4 | OCc1cccnc1n1nc(c(c1)CN1CCC2(CC1)OCC(c1c2sc(c1)Cl)(F)F)C | 24678969 | |||
| 52914971 | 2405 | 37 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 480 | 4 | 1 | 7 | 4.4 | OCc1cccnc1n1nc(c(c1)CN1CCC2(CC1)OCC(c1c2sc(c1)Cl)(F)F)C | 31937563 | |||
| 9462 | 2405 | 37 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 480 | 4 | 1 | 7 | 4.4 | OCc1cccnc1n1nc(c(c1)CN1CCC2(CC1)OCC(c1c2sc(c1)Cl)(F)F)C | 24678969 | |||
| 9462 | 2405 | 37 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 480 | 4 | 1 | 7 | 4.4 | OCc1cccnc1n1nc(c(c1)CN1CCC2(CC1)OCC(c1c2sc(c1)Cl)(F)F)C | 31937563 | |||
| CHEMBL3304244 | 2405 | 37 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 480 | 4 | 1 | 7 | 4.4 | OCc1cccnc1n1nc(c(c1)CN1CCC2(CC1)OCC(c1c2sc(c1)Cl)(F)F)C | 24678969 | |||
| CHEMBL3304244 | 2405 | 37 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 480 | 4 | 1 | 7 | 4.4 | OCc1cccnc1n1nc(c(c1)CN1CCC2(CC1)OCC(c1c2sc(c1)Cl)(F)F)C | 31937563 | |||
| DB16048 | 2405 | 37 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 480 | 4 | 1 | 7 | 4.4 | OCc1cccnc1n1nc(c(c1)CN1CCC2(CC1)OCC(c1c2sc(c1)Cl)(F)F)C | 24678969 | |||
| DB16048 | 2405 | 37 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | Guide to Pharmacology | 480 | 4 | 1 | 7 | 4.4 | OCc1cccnc1n1nc(c(c1)CN1CCC2(CC1)OCC(c1c2sc(c1)Cl)(F)F)C | 31937563 | |||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | None | None | None | None | 10369464 | |||||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | None | None | None | None | 12070757 | |||||
| 16131448 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | None | None | None | None | 9413015 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | None | None | None | None | 10369464 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | None | None | None | None | 12070757 | |||||
| 1681 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | None | None | None | None | 9413015 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | None | None | None | None | 10369464 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | None | None | None | None | 12070757 | |||||
| 1688 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | None | None | None | None | 9413015 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | None | None | None | None | 10369464 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | None | None | None | None | 12070757 | |||||
| 44361543 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | None | None | None | None | 9413015 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | None | None | None | None | 10369464 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | None | None | None | None | 12070757 | |||||
| 56947112 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | None | None | None | None | 9413015 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | None | None | None | None | 10369464 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | None | None | None | None | 12070757 | |||||
| CHEMBL396460 | 2847 | 28 | None | 1 | 6 | Human | 10.1 | pKi | = | 10.1 | Binding | Guide to Pharmacology | None | None | None | None | 9413015 | |||||
| 1694 | 3926 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | None | None | None | None | 12010780 | |||||
| 25081457 | 3926 | 0 | None | - | 1 | Human | 10.2 | pKi | = | 10.2 | Binding | Guide to Pharmacology | None | None | None | None | 12010780 | |||||
| 1682 | 2850 | 18 | None | 3 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | None | None | None | None | 10369464 | |||||
| 1682 | 2850 | 18 | None | 3 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | None | None | None | None | 12070757 | |||||
| 1682 | 2850 | 18 | None | 3 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | None | None | None | None | 12967935 | |||||
| 1682 | 2850 | 18 | None | 3 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | None | None | None | None | 9191955 | |||||
| 6324645 | 2850 | 18 | None | 3 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | None | None | None | None | 10369464 | |||||
| 6324645 | 2850 | 18 | None | 3 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | None | None | None | None | 12070757 | |||||
| 6324645 | 2850 | 18 | None | 3 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | None | None | None | None | 12967935 | |||||
| 6324645 | 2850 | 18 | None | 3 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | None | None | None | None | 9191955 | |||||
| CHEMBL384755 | 2850 | 18 | None | 3 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | None | None | None | None | 10369464 | |||||
| CHEMBL384755 | 2850 | 18 | None | 3 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | None | None | None | None | 12070757 | |||||
| CHEMBL384755 | 2850 | 18 | None | 3 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | None | None | None | None | 12967935 | |||||
| CHEMBL384755 | 2850 | 18 | None | 3 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | None | None | None | None | 9191955 | |||||
| 8865 | 3236 | 0 | None | - | 1 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | None | None | None | None | 24903280 | |||||
| 1686 | 3071 | 0 | None | - | 1 | Human | 11.1 | pKi | = | 11.1 | Binding | Guide to Pharmacology | None | None | None | None | 12070757 | |||||
| 1686 | 3071 | 0 | None | - | 1 | Human | 11.1 | pKi | = | 11.1 | Binding | Guide to Pharmacology | None | None | None | None | 15743186 | |||||
| 50922685 | 733 | 0 | None | -5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 481 | 6 | 2 | 5 | 4.8 | CO[C@]12CC[C@]3(C[C@@H]1[C@@](C(CC)(C)C)(O)C)[C@@]14[C@H]2Oc2c4c(C[C@H]3N(CC1)CC1CC1)ccc2O | 21177476 | |||
| 9294 | 733 | 0 | None | -5 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 481 | 6 | 2 | 5 | 4.8 | CO[C@]12CC[C@]3(C[C@@H]1[C@@](C(CC)(C)C)(O)C)[C@@]14[C@H]2Oc2c4c(C[C@H]3N(CC1)CC1CC1)ccc2O | 21177476 | |||
| 1691 | 2105 | 23 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10940356 | |||
| 5311194 | 2105 | 23 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10940356 | |||
| CHEMBL357076 | 2105 | 23 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 399 | 5 | 1 | 5 | 4.0 | OC[C@@H]1CN(CC[C@H]1n1c(=O)n(c2c1cccc2)CC)CC1CCCCCCC1 | 10940356 | |||
| 1679 | 268 | 24 | None | 1 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | None | None | None | None | 12967935 | |||||
| 1679 | 268 | 24 | None | 1 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | None | None | None | None | 9353393 | |||||
| 9963005 | 268 | 24 | None | 1 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | None | None | None | None | 12967935 | |||||
| 9963005 | 268 | 24 | None | 1 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | None | None | None | None | 9353393 | |||||
| CHEMBL437723 | 268 | 24 | None | 1 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | None | None | None | None | 12967935 | |||||
| CHEMBL437723 | 268 | 24 | None | 1 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | None | None | None | None | 9353393 | |||||
| 132427684 | 509 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 411 | 5 | 1 | 3 | 3.9 | CNC(=O)CC1C(=O)N(c2c1cccc2)C1CCN(CC1)[C@@H]1CC[C@@H](CC1)C(C)C | 29232769 | |||
| 9747 | 509 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | Guide to Pharmacology | 411 | 5 | 1 | 3 | 3.9 | CNC(=O)CC1C(=O)N(c2c1cccc2)C1CCN(CC1)[C@@H]1CC[C@@H](CC1)C(C)C | 29232769 | |||
| 10047612 | 3527 | 15 | None | 173 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 417 | 3 | 1 | 2 | 6.2 | O[C@H]1C[C@H](CCc2c1cccc2C)CN1CCC(CC1)c1c(Cl)cccc1Cl | 14593080 | |||
| 10047612 | 3527 | 15 | None | 173 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 417 | 3 | 1 | 2 | 6.2 | O[C@H]1C[C@H](CCc2c1cccc2C)CN1CCC(CC1)c1c(Cl)cccc1Cl | 17329552 | |||
| 1693 | 3527 | 15 | None | 173 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 417 | 3 | 1 | 2 | 6.2 | O[C@H]1C[C@H](CCc2c1cccc2C)CN1CCC(CC1)c1c(Cl)cccc1Cl | 14593080 | |||
| 1693 | 3527 | 15 | None | 173 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 417 | 3 | 1 | 2 | 6.2 | O[C@H]1C[C@H](CCc2c1cccc2C)CN1CCC(CC1)c1c(Cl)cccc1Cl | 17329552 | |||
| CHEMBL559569 | 3527 | 15 | None | 173 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 417 | 3 | 1 | 2 | 6.2 | O[C@H]1C[C@H](CCc2c1cccc2C)CN1CCC(CC1)c1c(Cl)cccc1Cl | 14593080 | |||
| CHEMBL559569 | 3527 | 15 | None | 173 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 417 | 3 | 1 | 2 | 6.2 | O[C@H]1C[C@H](CCc2c1cccc2C)CN1CCC(CC1)c1c(Cl)cccc1Cl | 17329552 | |||
| 1684 | 3360 | 21 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 401 | 2 | 1 | 3 | 4.4 | O=C1NCN(C21CCN(CC2)[C@H]1CC[C@H]2c3c1cccc3CCC2)c1ccccc1 | 10758169 | |||
| 1684 | 3360 | 21 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 401 | 2 | 1 | 3 | 4.4 | O=C1NCN(C21CCN(CC2)[C@H]1CC[C@H]2c3c1cccc3CCC2)c1ccccc1 | 11006485 | |||
| 9844019 | 3360 | 21 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 401 | 2 | 1 | 3 | 4.4 | O=C1NCN(C21CCN(CC2)[C@H]1CC[C@H]2c3c1cccc3CCC2)c1ccccc1 | 10758169 | |||
| 9844019 | 3360 | 21 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 401 | 2 | 1 | 3 | 4.4 | O=C1NCN(C21CCN(CC2)[C@H]1CC[C@H]2c3c1cccc3CCC2)c1ccccc1 | 11006485 | |||
| CHEMBL2088034 | 3360 | 21 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 401 | 2 | 1 | 3 | 4.4 | O=C1NCN(C21CCN(CC2)[C@H]1CC[C@H]2c3c1cccc3CCC2)c1ccccc1 | 10758169 | |||
| CHEMBL2088034 | 3360 | 21 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 401 | 2 | 1 | 3 | 4.4 | O=C1NCN(C21CCN(CC2)[C@H]1CC[C@H]2c3c1cccc3CCC2)c1ccccc1 | 11006485 | |||
| 1680 | 269 | 0 | None | 2 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 12967935 | |||||
| 1680 | 269 | 0 | None | 2 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | None | None | None | None | 9353393 | |||||
| 15512229 | 3383 | 0 | None | 1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(C21CCN(CC2)[C@@H]1Cc2c3c1cccc3ccc2)c1ccccc1 | 10476866 | |||
| 8864 | 3383 | 0 | None | 1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(C21CCN(CC2)[C@@H]1Cc2c3c1cccc3ccc2)c1ccccc1 | 10476866 | |||
| CHEMBL355202 | 3383 | 0 | None | 1 | 7 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 383 | 2 | 1 | 3 | 3.9 | O=C1NCN(C21CCN(CC2)[C@@H]1Cc2c3c1cccc3ccc2)c1ccccc1 | 10476866 | |||
| 10296561 | 1042 | 26 | None | 23 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 433 | 7 | 1 | 4 | 3.7 | O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1 | 19445927 | |||
| 7361 | 1042 | 26 | None | 23 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 433 | 7 | 1 | 4 | 3.7 | O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1 | 19445927 | |||
| CHEMBL201945 | 1042 | 26 | None | 23 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 433 | 7 | 1 | 4 | 3.7 | O=C([C@H]1CCCN1Cc1ccccc1)NCCCN1CCC2(CC1)OCc1c2cccc1 | 19445927 | |||
| 1651 | 2717 | 26 | None | -19 | 10 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 476 | 5 | 2 | 6 | 3.1 | CN([C@@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O)C(=O)/C=C/c1ccoc1 | None | |||
| 4673 | 2717 | 26 | None | -19 | 10 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 476 | 5 | 2 | 6 | 3.1 | CN([C@@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O)C(=O)/C=C/c1ccoc1 | None | |||
| 6445230 | 2717 | 26 | None | -19 | 10 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 476 | 5 | 2 | 6 | 3.1 | CN([C@@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O)C(=O)/C=C/c1ccoc1 | None | |||
| CHEMBL267495 | 2717 | 26 | None | -19 | 10 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 476 | 5 | 2 | 6 | 3.1 | CN([C@@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O)C(=O)/C=C/c1ccoc1 | None | |||
| DB13471 | 2717 | 26 | None | -19 | 10 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 476 | 5 | 2 | 6 | 3.1 | CN([C@@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O)C(=O)/C=C/c1ccoc1 | None | |||
| 1683 | 2851 | 0 | None | - | 1 | Human | 10.4 | pKi | None | 10.4 | Binding | Guide to Pharmacology | None | None | None | None | 12967935 | |||||
| 1696 | 3049 | 0 | None | - | 1 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 10488086 | |||||
| 5311338 | 3049 | 0 | None | - | 1 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 10488086 | |||||
| 1692 | 2152 | 29 | None | 12 | 4 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 411 | 6 | 2 | 4 | 5.5 | CCc1ccc(cc1)OCc1ccccc1C(=O)Nc1ccc2c(c1)c(N)cc(n2)C | 11101358 | |||
| 5311340 | 2152 | 29 | None | 12 | 4 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 411 | 6 | 2 | 4 | 5.5 | CCc1ccc(cc1)OCc1ccccc1C(=O)Nc1ccc2c(c1)c(N)cc(n2)C | 11101358 | |||
| CHEMBL140979 | 2152 | 29 | None | 12 | 4 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | 411 | 6 | 2 | 4 | 5.5 | CCc1ccc(cc1)OCc1ccccc1C(=O)Nc1ccc2c(c1)c(N)cc(n2)C | 11101358 | |||
| 1695 | 2873 | 0 | None | - | 1 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 12010780 | |||||
| 1679 | 268 | 24 | None | -1 | 2 | Mouse | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9353393 | |||||
| 9963005 | 268 | 24 | None | -1 | 2 | Mouse | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9353393 | |||||
| CHEMBL437723 | 268 | 24 | None | -1 | 2 | Mouse | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 9353393 | |||||
| 1680 | 269 | 0 | None | -2 | 2 | Mouse | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 9353393 | |||||
| 1690 | 1634 | 0 | None | - | 1 | Human | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | None | None | None | None | 12967935 | |||||
| 16131448 | 2847 | 28 | None | -2 | 6 | Mouse | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 9353393 | |||||
| 1681 | 2847 | 28 | None | -2 | 6 | Mouse | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 9353393 | |||||
| 1688 | 2847 | 28 | None | -2 | 6 | Mouse | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 9353393 | |||||
| 44361543 | 2847 | 28 | None | -2 | 6 | Mouse | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 9353393 | |||||
| 56947112 | 2847 | 28 | None | -2 | 6 | Mouse | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 9353393 | |||||
| CHEMBL396460 | 2847 | 28 | None | -2 | 6 | Mouse | 9.4 | pKi | None | 9.4 | Binding | Guide to Pharmacology | None | None | None | None | 9353393 | |||||
| 16143911 | 467 | 16 | None | - | 1 | Human | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | None | None | None | None | 11097863 | |||||
| 1689 | 467 | 16 | None | - | 1 | Human | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | None | None | None | None | 11097863 | |||||
| CHEMBL505874 | 467 | 16 | None | - | 1 | Human | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | None | None | None | None | 11097863 | |||||