Ligand source activities (1 row/activity)
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 74265 | 206606 | 107 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 236 | 0 | 0 | 2 | 4.0 | Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C | 10.1021/jm301121j | ||
| CHEMBL99384 | 206606 | 107 | None | -2 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 236 | 0 | 0 | 2 | 4.0 | Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C | 10.1021/jm301121j | ||
| 14434082 | 83369 | 11 | None | -1 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccnc2c1ccc1c(C=O)ccnc12 | 10.1021/jm301121j | ||
| CHEMBL2205801 | 83369 | 11 | None | -1 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccnc2c1ccc1c(C=O)ccnc12 | 10.1021/jm301121j | ||
| 16726107 | 83076 | 2 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 475 | 7 | 1 | 6 | 4.4 | Cc1ccc(CN2CCC(CNC(=O)C3CCN(c4ccc(-c5cccs5)nn4)CC3)C2)cc1 | 10.1021/jm061389p | ||
| CHEMBL220199 | 83076 | 2 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 475 | 7 | 1 | 6 | 4.4 | Cc1ccc(CN2CCC(CNC(=O)C3CCN(c4ccc(-c5cccs5)nn4)CC3)C2)cc1 | 10.1021/jm061389p | ||
| 14338 | 4302 | 115 | None | -3 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccnc(-c2cc(C)ccn2)c1 | 10.1021/jm301121j | ||
| CHEMBL101165 | 4302 | 115 | None | -3 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccnc(-c2cc(C)ccn2)c1 | 10.1021/jm301121j | ||
| 14338 | 4302 | 115 | None | -3 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccnc(-c2cc(C)ccn2)c1 | 10.1021/jm301121j | ||
| CHEMBL101165 | 4302 | 115 | None | -3 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccnc(-c2cc(C)ccn2)c1 | 10.1021/jm301121j | ||
| 16301115 | 83022 | 5 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 435 | 7 | 1 | 6 | 3.8 | Cc1ccc(-n2c(C)nnc2SCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 | 10.1021/jm061389p | ||
| CHEMBL219769 | 83022 | 5 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 435 | 7 | 1 | 6 | 3.8 | Cc1ccc(-n2c(C)nnc2SCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 | 10.1021/jm061389p | ||
| 93149 | 106717 | 78 | None | -16 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1ccnc2c1ccc1cccnc12 | 10.1021/jm301121j | ||
| CHEMBL316589 | 106717 | 78 | None | -16 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1ccnc2c1ccc1cccnc12 | 10.1021/jm301121j | ||
| 3258407 | 84480 | 19 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 389 | 9 | 1 | 5 | 4.9 | C=C(C)Cc1c(C)c(C#N)c2nc3ccccc3n2c1NCCCN(CC)CC | 10.1021/jm061389p | ||
| CHEMBL223686 | 84480 | 19 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 389 | 9 | 1 | 5 | 4.9 | C=C(C)Cc1c(C)c(C#N)c2nc3ccccc3n2c1NCCCN(CC)CC | 10.1021/jm061389p | ||
| 12987698 | 83376 | 4 | None | 2 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1cnc2c(ccc3cc(C)cnc32)c1 | 10.1021/jm301121j | ||
| CHEMBL2205809 | 83376 | 4 | None | 2 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1cnc2c(ccc3cc(C)cnc32)c1 | 10.1021/jm301121j | ||
| 1474 | 153865 | 133 | None | -1 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 156 | 1 | 0 | 2 | 2.1 | c1ccc(-c2ccccn2)nc1 | 10.1021/jm301121j | ||
| CHEMBL39879 | 153865 | 133 | None | -1 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 156 | 1 | 0 | 2 | 2.1 | c1ccc(-c2ccccn2)nc1 | 10.1021/jm301121j | ||
| 12987698 | 83376 | 4 | None | 2 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1cnc2c(ccc3cc(C)cnc32)c1 | 10.1021/jm301121j | ||
| CHEMBL2205809 | 83376 | 4 | None | 2 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1cnc2c(ccc3cc(C)cnc32)c1 | 10.1021/jm301121j | ||
| 15783796 | 83378 | 1 | None | -3 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1cnc2c(ccc3cccnc32)c1 | 10.1021/jm301121j | ||
| CHEMBL2205810 | 83378 | 1 | None | -3 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1cnc2c(ccc3cccnc32)c1 | 10.1021/jm301121j | ||
| 93149 | 106717 | 78 | None | -16 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1ccnc2c1ccc1cccnc12 | 10.1021/jm301121j | ||
| CHEMBL316589 | 106717 | 78 | None | -16 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1ccnc2c1ccc1cccnc12 | 10.1021/jm301121j | ||
| 2733927 | 83375 | 90 | None | -4 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 216 | 3 | 0 | 4 | 2.2 | COc1ccnc(-c2cc(OC)ccn2)c1 | 10.1021/jm301121j | ||
| CHEMBL2205808 | 83375 | 90 | None | -4 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 216 | 3 | 0 | 4 | 2.2 | COc1ccnc(-c2cc(OC)ccn2)c1 | 10.1021/jm301121j | ||
| 1474 | 153865 | 133 | None | -1 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 156 | 1 | 0 | 2 | 2.1 | c1ccc(-c2ccccn2)nc1 | 10.1021/jm301121j | ||
| CHEMBL39879 | 153865 | 133 | None | -1 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 156 | 1 | 0 | 2 | 2.1 | c1ccc(-c2ccccn2)nc1 | 10.1021/jm301121j | ||
| 16728788 | 83023 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 450 | 7 | 1 | 7 | 3.4 | Cc1cc(CN2CCN(C)CC2)ccc1NC(=O)CSc1nnc(C)n1-c1ccccc1 | 10.1021/jm061389p | ||
| CHEMBL219770 | 83023 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 450 | 7 | 1 | 7 | 3.4 | Cc1cc(CN2CCN(C)CC2)ccc1NC(=O)CSc1nnc(C)n1-c1ccccc1 | 10.1021/jm061389p | ||
| 15783796 | 83378 | 1 | None | -3 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1cnc2c(ccc3cccnc32)c1 | 10.1021/jm301121j | ||
| CHEMBL2205810 | 83378 | 1 | None | -3 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1cnc2c(ccc3cccnc32)c1 | 10.1021/jm301121j | ||
| 2733927 | 83375 | 90 | None | -4 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 216 | 3 | 0 | 4 | 2.2 | COc1ccnc(-c2cc(OC)ccn2)c1 | 10.1021/jm301121j | ||
| CHEMBL2205808 | 83375 | 90 | None | -4 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 216 | 3 | 0 | 4 | 2.2 | COc1ccnc(-c2cc(OC)ccn2)c1 | 10.1021/jm301121j | ||
| 15664 | 83374 | 93 | None | 2 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccc(-c2ccc(C)cn2)nc1 | 10.1021/jm301121j | ||
| CHEMBL2205807 | 83374 | 93 | None | 2 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccc(-c2ccc(C)cn2)nc1 | 10.1021/jm301121j | ||
| 137660245 | 158739 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 4.4 | CC(C)CN1CC(C(=O)Nc2ccc(CN(C)C3CCOCC3)cc2)=Cc2ccccc2C1=O | 10.1016/j.ejmech.2017.04.046 | ||
| CHEMBL4099473 | 158739 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 4.4 | CC(C)CN1CC(C(=O)Nc2ccc(CN(C)C3CCOCC3)cc2)=Cc2ccccc2C1=O | 10.1016/j.ejmech.2017.04.046 | ||
| 15664 | 83374 | 93 | None | 2 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccc(-c2ccc(C)cn2)nc1 | 10.1021/jm301121j | ||
| CHEMBL2205807 | 83374 | 93 | None | 2 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccc(-c2ccc(C)cn2)nc1 | 10.1021/jm301121j | ||
| 72792 | 198041 | 76 | None | -5 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccnc2c1ccc1c(C)ccnc12 | 10.1021/jm301121j | ||
| CHEMBL593442 | 198041 | 76 | None | -5 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccnc2c1ccc1c(C)ccnc12 | 10.1021/jm301121j | ||
| 72792 | 198041 | 76 | None | -5 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccnc2c1ccc1c(C)ccnc12 | 10.1021/jm301121j | ||
| CHEMBL593442 | 198041 | 76 | None | -5 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccnc2c1ccc1c(C)ccnc12 | 10.1021/jm301121j | ||
| 70848 | 204945 | 105 | None | -5 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 233 | 2 | 0 | 3 | 3.2 | c1ccc(-c2cccc(-c3ccccn3)n2)nc1 | 10.1021/jm301121j | ||
| CHEMBL89445 | 204945 | 105 | None | -5 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 233 | 2 | 0 | 3 | 3.2 | c1ccc(-c2cccc(-c3ccccn3)n2)nc1 | 10.1021/jm301121j | ||
| 1167892 | 83025 | 1 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 463 | 9 | 1 | 6 | 4.7 | Cc1ccc(NC(=O)CSc2nnc(CCN3CCCCC3)n2Cc2ccccc2)c(C)c1 | 10.1021/jm061389p | ||
| CHEMBL219781 | 83025 | 1 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 463 | 9 | 1 | 6 | 4.7 | Cc1ccc(NC(=O)CSc2nnc(CCN3CCCCC3)n2Cc2ccccc2)c(C)c1 | 10.1021/jm061389p | ||
| 70848 | 204945 | 105 | None | -5 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 233 | 2 | 0 | 3 | 3.2 | c1ccc(-c2cccc(-c3ccccn3)n2)nc1 | 10.1021/jm301121j | ||
| CHEMBL89445 | 204945 | 105 | None | -5 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 233 | 2 | 0 | 3 | 3.2 | c1ccc(-c2cccc(-c3ccccn3)n2)nc1 | 10.1021/jm301121j | ||
| 10585 | 1061 | 1 | None | -1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 145996522 | 1061 | 1 | None | -1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4531005 | 1061 | 1 | None | -1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 12425 | 6 | 116 | None | -4 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| 1318 | 6 | 116 | None | -4 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| CHEMBL415879 | 6 | 116 | None | -4 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| DB02365 | 6 | 116 | None | -4 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| 10585 | 1061 | 1 | None | -1 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 145996522 | 1061 | 1 | None | -1 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4531005 | 1061 | 1 | None | -1 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 155491018 | 173511 | 1 | None | 2 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4544504 | 173511 | 1 | None | 2 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155491018 | 173511 | 1 | None | 2 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4544504 | 173511 | 1 | None | 2 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 12425 | 6 | 116 | None | -4 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| 1318 | 6 | 116 | None | -4 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| CHEMBL415879 | 6 | 116 | None | -4 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| DB02365 | 6 | 116 | None | -4 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| 155491018 | 173511 | 1 | None | 2 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4544504 | 173511 | 1 | None | 2 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155491018 | 173511 | 1 | None | 2 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4544504 | 173511 | 1 | None | 2 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 65237 | 137099 | 97 | None | -28 | 2 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccc2ccc3ccc(C)nc3c2n1 | 10.1021/jm301121j | ||
| CHEMBL375781 | 137099 | 97 | None | -28 | 2 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccc2ccc3ccc(C)nc3c2n1 | 10.1021/jm301121j | ||
| 65237 | 137099 | 97 | None | -28 | 2 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccc2ccc3ccc(C)nc3c2n1 | 10.1021/jm301121j | ||
| CHEMBL375781 | 137099 | 97 | None | -28 | 2 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccc2ccc3ccc(C)nc3c2n1 | 10.1021/jm301121j | ||
| 183790 | 3685 | 8 | None | -2 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
| 783 | 3685 | 8 | None | -2 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
| CHEMBL1178786 | 3685 | 8 | None | -2 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
| 10585 | 1061 | 1 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 145996522 | 1061 | 1 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4531005 | 1061 | 1 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 10585 | 1061 | 1 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 145996522 | 1061 | 1 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4531005 | 1061 | 1 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 10585 | 1061 | 1 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 145996522 | 1061 | 1 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4531005 | 1061 | 1 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 155491018 | 173511 | 1 | None | 2 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4544504 | 173511 | 1 | None | 2 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 10585 | 1061 | 1 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 145996522 | 1061 | 1 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4531005 | 1061 | 1 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 155491018 | 173511 | 1 | None | 2 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4544504 | 173511 | 1 | None | 2 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 11151928 | 188897 | 0 | None | -10 | 4 | Human | 9.1 | pED50 | = | 9.1 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| CHEMBL513863 | 188897 | 0 | None | -10 | 4 | Human | 9.1 | pED50 | = | 9.1 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| 15941255 | 81361 | 0 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Functional | ChEMBL | 527 | 9 | 2 | 6 | 4.5 | CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1 | 10.1021/ml2002604 | ||
| CHEMBL2164207 | 81361 | 0 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Functional | ChEMBL | 527 | 9 | 2 | 6 | 4.5 | CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1 | 10.1021/ml2002604 | ||
| 57402801 | 68881 | 0 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Functional | ChEMBL | 600 | 12 | 2 | 7 | 5.2 | COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(C(=O)NC(C)C)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926899 | 68881 | 0 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Functional | ChEMBL | 600 | 12 | 2 | 7 | 5.2 | COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(C(=O)NC(C)C)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| 50993591 | 56913 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 497 | 6 | 1 | 6 | 3.9 | COC(=O)N1CCc2nc(C)n([C@@H]3C[C@@H]4CC[C@H](C3)N4CC[C@H](NC(C)=O)c3cccc(F)c3)c2C1 | 10.1021/jm100978n | ||
| CHEMBL1649924 | 56913 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 497 | 6 | 1 | 6 | 3.9 | COC(=O)N1CCc2nc(C)n([C@@H]3C[C@@H]4CC[C@H](C3)N4CC[C@H](NC(C)=O)c3cccc(F)c3)c2C1 | 10.1021/jm100978n | ||
| 15940800 | 81356 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 561 | 10 | 1 | 7 | 3.9 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CN2CCOC2=O)CC1 | 10.1021/ml2002604 | ||
| CHEMBL2164202 | 81356 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 561 | 10 | 1 | 7 | 3.9 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CN2CCOC2=O)CC1 | 10.1021/ml2002604 | ||
| 15941086 | 81364 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 518 | 9 | 2 | 7 | 3.7 | CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C#N)nc2Cl)CC1 | 10.1021/ml2002604 | ||
| CHEMBL2164210 | 81364 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 518 | 9 | 2 | 7 | 3.7 | CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C#N)nc2Cl)CC1 | 10.1021/ml2002604 | ||
| 11285792 | 866 | 30 | None | -3 | 6 | Human | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | ||
| 801 | 866 | 30 | None | -3 | 6 | Human | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | ||
| CHEMBL2110727 | 866 | 30 | None | -3 | 6 | Human | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | ||
| DB11758 | 866 | 30 | None | -3 | 6 | Human | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | ||
| 62706107 | 81371 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10.0 | Functional | ChEMBL | 554 | 9 | 2 | 6 | 5.5 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2cccnc2)CC1 | 10.1021/ml2002604 | ||
| CHEMBL2164217 | 81371 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10.0 | Functional | ChEMBL | 554 | 9 | 2 | 6 | 5.5 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)Nc2cccnc2)CC1 | 10.1021/ml2002604 | ||
| 11650548 | 103067 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 697 | 17 | 1 | 8 | 8.1 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4nncn4CCC)cc2)CCCN3CC(C)C)cc1 | 10.1021/jm0509703 | ||
| CHEMBL3085308 | 103067 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 697 | 17 | 1 | 8 | 8.1 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4nncn4CCC)cc2)CCCN3CC(C)C)cc1 | 10.1021/jm0509703 | ||
| 15947119 | 68875 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 549 | 10 | 1 | 6 | 5.7 | COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926893 | 68875 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 549 | 10 | 1 | 6 | 5.7 | COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| 3002977 | 2426 | 70 | None | 2 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/jm100978n | ||
| 803 | 2426 | 70 | None | 2 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/jm100978n | ||
| 806 | 2426 | 70 | None | 2 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/jm100978n | ||
| CHEMBL1201187 | 2426 | 70 | None | 2 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/jm100978n | ||
| CHEMBL256907 | 2426 | 70 | None | 2 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/jm100978n | ||
| CHEMBL584744 | 2426 | 70 | None | 2 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/jm100978n | ||
| DB04835 | 2426 | 70 | None | 2 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/jm100978n | ||
| 50993593 | 56915 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 497 | 6 | 1 | 6 | 3.9 | COC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CN(C(C)=O)CC3)C2)c1cccc(F)c1 | 10.1021/jm100978n | ||
| CHEMBL1649926 | 56915 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 497 | 6 | 1 | 6 | 3.9 | COC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CN(C(C)=O)CC3)C2)c1cccc(F)c1 | 10.1021/jm100978n | ||
| 50992494 | 56916 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 513 | 6 | 1 | 7 | 4.1 | COC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CN(C(=O)OC)CC3)C2)c1cccc(F)c1 | 10.1021/jm100978n | ||
| CHEMBL1649927 | 56916 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 513 | 6 | 1 | 7 | 4.1 | COC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CN(C(=O)OC)CC3)C2)c1cccc(F)c1 | 10.1021/jm100978n | ||
| 3002977 | 2426 | 70 | None | 2 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2016.12.035 | ||
| 803 | 2426 | 70 | None | 2 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2016.12.035 | ||
| 806 | 2426 | 70 | None | 2 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2016.12.035 | ||
| CHEMBL1201187 | 2426 | 70 | None | 2 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2016.12.035 | ||
| CHEMBL256907 | 2426 | 70 | None | 2 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2016.12.035 | ||
| CHEMBL584744 | 2426 | 70 | None | 2 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2016.12.035 | ||
| DB04835 | 2426 | 70 | None | 2 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2016.12.035 | ||
| 11285792 | 866 | 30 | None | -3 | 6 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | ||
| 801 | 866 | 30 | None | -3 | 6 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | ||
| CHEMBL2110727 | 866 | 30 | None | -3 | 6 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | ||
| DB11758 | 866 | 30 | None | -3 | 6 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | ||
| 11513274 | 103068 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 734 | 17 | 1 | 9 | 8.0 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3Cc2cnn(C)c2)cc1 | 10.1021/jm0509703 | ||
| CHEMBL3085309 | 103068 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 734 | 17 | 1 | 9 | 8.0 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3Cc2cnn(C)c2)cc1 | 10.1021/jm0509703 | ||
| 9810893 | 103066 | 0 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 682 | 17 | 1 | 7 | 8.5 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3CCC)cc1 | 10.1021/jm0509703 | ||
| CHEMBL3085307 | 103066 | 0 | None | - | 1 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 682 | 17 | 1 | 7 | 8.5 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3CCC)cc1 | 10.1021/jm0509703 | ||
| 44511934 | 68878 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 533 | 10 | 1 | 6 | 5.2 | COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(F)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926896 | 68878 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 533 | 10 | 1 | 6 | 5.2 | COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(F)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| 44512090 | 68880 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 540 | 10 | 1 | 7 | 5.0 | COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(C#N)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926898 | 68880 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 540 | 10 | 1 | 7 | 5.0 | COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(C#N)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| 44512058 | 68889 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 551 | 10 | 1 | 8 | 4.5 | COc1ccc(N(Cc2cccc(C#N)n2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(C#N)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1927008 | 68889 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 551 | 10 | 1 | 8 | 4.5 | COc1ccc(N(Cc2cccc(C#N)n2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(C#N)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| 44511938 | 68890 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 560 | 10 | 1 | 7 | 5.3 | COc1ccc(N(Cc2cccc(C#N)n2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1927009 | 68890 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 560 | 10 | 1 | 7 | 5.3 | COc1ccc(N(Cc2cccc(C#N)n2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| 50992641 | 56912 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 479 | 6 | 1 | 6 | 3.8 | COC(=O)N1CCc2nc(C)n([C@@H]3C[C@@H]4CC[C@H](C3)N4CC[C@H](NC(C)=O)c3ccccc3)c2C1 | 10.1021/jm100978n | ||
| CHEMBL1649922 | 56912 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 479 | 6 | 1 | 6 | 3.8 | COC(=O)N1CCc2nc(C)n([C@@H]3C[C@@H]4CC[C@H](C3)N4CC[C@H](NC(C)=O)c3ccccc3)c2C1 | 10.1021/jm100978n | ||
| 62706110 | 81357 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 491 | 8 | 2 | 5 | 4.2 | CNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 | 10.1021/ml2002604 | ||
| CHEMBL2164203 | 81357 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 491 | 8 | 2 | 5 | 4.2 | CNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 | 10.1021/ml2002604 | ||
| 15940799 | 81359 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 493 | 8 | 3 | 6 | 4.0 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NO)CC1 | 10.1021/ml2002604 | ||
| CHEMBL2164205 | 81359 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 493 | 8 | 3 | 6 | 4.0 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NO)CC1 | 10.1021/ml2002604 | ||
| 57384005 | 81360 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 507 | 9 | 2 | 6 | 4.2 | CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 | 10.1021/ml2002604 | ||
| CHEMBL2164206 | 81360 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 507 | 9 | 2 | 6 | 4.2 | CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 | 10.1021/ml2002604 | ||
| 57384006 | 81365 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 551 | 12 | 2 | 7 | 4.2 | COCCONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 | 10.1021/ml2002604 | ||
| CHEMBL2164211 | 81365 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 551 | 12 | 2 | 7 | 4.2 | COCCONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 | 10.1021/ml2002604 | ||
| 50915506 | 18855 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 848 | 11 | 2 | 6 | 8.2 | CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(N(C(=O)NCc4ccc(C#N)cc4)c4cccc(F)c4)CC3)(c3cccc(F)c3)CC2)c(Cl)cc1F | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288663 | 18855 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 848 | 11 | 2 | 6 | 8.2 | CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(N(C(=O)NCc4ccc(C#N)cc4)c4cccc(F)c4)CC3)(c3cccc(F)c3)CC2)c(Cl)cc1F | 10.1016/j.bmcl.2010.10.033 | ||
| 44455217 | 94975 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 608 | 7 | 1 | 5 | 6.4 | CC(=O)N1CCc2c(nc(C)n2[C@H]2C[C@@H]3CC[C@H](C2)N3CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc2)C1 | 10.1016/j.bmcl.2007.12.058 | ||
| CHEMBL257000 | 94975 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 608 | 7 | 1 | 5 | 6.4 | CC(=O)N1CCc2c(nc(C)n2[C@H]2C[C@@H]3CC[C@H](C2)N3CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc2)C1 | 10.1016/j.bmcl.2007.12.058 | ||
| 50992577 | 56908 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 463 | 6 | 1 | 5 | 3.5 | CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CN(C(C)=O)CC3)C2)c1ccccc1 | 10.1021/jm100978n | ||
| CHEMBL1649919 | 56908 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 463 | 6 | 1 | 5 | 3.5 | CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CN(C(C)=O)CC3)C2)c1ccccc1 | 10.1021/jm100978n | ||
| 50992639 | 56910 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 477 | 7 | 1 | 5 | 3.9 | CCC(=O)N1CCc2nc(C)n([C@@H]3C[C@@H]4CC[C@H](C3)N4CC[C@H](NC(C)=O)c3ccccc3)c2C1 | 10.1021/jm100978n | ||
| CHEMBL1649920 | 56910 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 477 | 7 | 1 | 5 | 3.9 | CCC(=O)N1CCc2nc(C)n([C@@H]3C[C@@H]4CC[C@H](C3)N4CC[C@H](NC(C)=O)c3ccccc3)c2C1 | 10.1021/jm100978n | ||
| 50992640 | 56911 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 491 | 7 | 1 | 5 | 4.2 | CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CN(C(=O)C(C)C)CC3)C2)c1ccccc1 | 10.1021/jm100978n | ||
| CHEMBL1649921 | 56911 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 491 | 7 | 1 | 5 | 4.2 | CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CN(C(=O)C(C)C)CC3)C2)c1ccccc1 | 10.1021/jm100978n | ||
| 59458228 | 81362 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 558 | 11 | 3 | 7 | 3.6 | CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NC(C)C)nc2C)CC1 | 10.1021/ml2002604 | ||
| CHEMBL2164208 | 81362 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 558 | 11 | 3 | 7 | 3.6 | CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C(=O)NC(C)C)nc2C)CC1 | 10.1021/ml2002604 | ||
| 59458061 | 81363 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 543 | 9 | 2 | 6 | 3.7 | CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)[n+]([O-])c2Cl)CC1 | 10.1021/ml2002604 | ||
| CHEMBL2164209 | 81363 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 543 | 9 | 2 | 6 | 3.7 | CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)[n+]([O-])c2Cl)CC1 | 10.1021/ml2002604 | ||
| 15941083 | 81373 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 506 | 10 | 1 | 6 | 4.1 | COCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 | 10.1021/ml2002604 | ||
| CHEMBL2164219 | 81373 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 506 | 10 | 1 | 6 | 4.1 | COCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 | 10.1021/ml2002604 | ||
| 15940801 | 81374 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 501 | 9 | 1 | 6 | 4.3 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CC#N)CC1 | 10.1021/ml2002604 | ||
| CHEMBL2164220 | 81374 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 501 | 9 | 1 | 6 | 4.3 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CC#N)CC1 | 10.1021/ml2002604 | ||
| 5275766 | 3681 | 33 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 552 | 9 | 1 | 4 | 4.7 | CC(=O)N1CCC(CC1)C(=O)N(c1ccc(c(c1)Cl)C)CCCN1CCC(CC1)Cc1ccc(cc1)C(=O)N | 10.1021/jm051034q | ||
| 800 | 3681 | 33 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 552 | 9 | 1 | 4 | 4.7 | CC(=O)N1CCC(CC1)C(=O)N(c1ccc(c(c1)Cl)C)CCCN1CCC(CC1)Cc1ccc(cc1)C(=O)N | 10.1021/jm051034q | ||
| CHEMBL207004 | 3681 | 33 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 552 | 9 | 1 | 4 | 4.7 | CC(=O)N1CCC(CC1)C(=O)N(c1ccc(c(c1)Cl)C)CCCN1CCC(CC1)Cc1ccc(cc1)C(=O)N | 10.1021/jm051034q | ||
| 11700429 | 103070 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 710 | 17 | 1 | 7 | 9.1 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCCN3CC(C)C)cc1 | 10.1021/jm0509703 | ||
| CHEMBL3085311 | 103070 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 710 | 17 | 1 | 7 | 9.1 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCCN3CC(C)C)cc1 | 10.1021/jm0509703 | ||
| 53325983 | 56902 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 416 | 6 | 1 | 4 | 4.8 | CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3ccccc31)C2)c1ccccc1 | 10.1021/jm100978n | ||
| CHEMBL1649913 | 56902 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 416 | 6 | 1 | 4 | 4.8 | CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3ccccc31)C2)c1ccccc1 | 10.1021/jm100978n | ||
| 15940498 | 81366 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 611 | 11 | 3 | 6 | 5.5 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2ccc(C(=O)O)cc2)CC1 | 10.1021/ml2002604 | ||
| CHEMBL2164212 | 81366 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 611 | 11 | 3 | 6 | 5.5 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCc2ccc(C(=O)O)cc2)CC1 | 10.1021/ml2002604 | ||
| 457871 | 100256 | 1 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 483 | 4 | 1 | 3 | 5.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(Br)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL292625 | 100256 | 1 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 483 | 4 | 1 | 3 | 5.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(Br)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| 44511935 | 68882 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 593 | 13 | 1 | 7 | 5.8 | COCCOc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926900 | 68882 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 593 | 13 | 1 | 7 | 5.8 | COCCOc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| 50993592 | 56914 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 479 | 6 | 1 | 6 | 3.8 | COC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CN(C(C)=O)CC3)C2)c1ccccc1 | 10.1021/jm100978n | ||
| CHEMBL1649925 | 56914 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 479 | 6 | 1 | 6 | 3.8 | COC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CN(C(C)=O)CC3)C2)c1ccccc1 | 10.1021/jm100978n | ||
| 3008904 | 198283 | 1 | None | 1 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 537 | 6 | 0 | 5 | 5.0 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3cccc(C#N)c3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL59511 | 198283 | 1 | None | 1 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 537 | 6 | 0 | 5 | 5.0 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3cccc(C#N)c3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 11614352 | 544 | 1 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 639 | 11 | 0 | 6 | 4.1 | CCN(C(=O)Cc1ccc(cc1)S(=O)(=O)C)C1CCN(CC1)CC[C@@H](c1cc(F)cc(c1)F)C1CCN(CC1)S(=O)(=O)C | 10.1016/j.bmcl.2011.12.117 | ||
| 7686 | 544 | 1 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 639 | 11 | 0 | 6 | 4.1 | CCN(C(=O)Cc1ccc(cc1)S(=O)(=O)C)C1CCN(CC1)CC[C@@H](c1cc(F)cc(c1)F)C1CCN(CC1)S(=O)(=O)C | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951914 | 544 | 1 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 639 | 11 | 0 | 6 | 4.1 | CCN(C(=O)Cc1ccc(cc1)S(=O)(=O)C)C1CCN(CC1)CC[C@@H](c1cc(F)cc(c1)F)C1CCN(CC1)S(=O)(=O)C | 10.1016/j.bmcl.2011.12.117 | ||
| 57392303 | 68873 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 535 | 10 | 1 | 6 | 5.4 | COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)ccnc3Cl)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926891 | 68873 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 535 | 10 | 1 | 6 | 5.4 | COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)ccnc3Cl)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| 44512001 | 68891 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 544 | 10 | 1 | 7 | 4.8 | COc1ccc(N(Cc2cccc(C#N)n2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(F)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1927010 | 68891 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 544 | 10 | 1 | 7 | 4.8 | COc1ccc(N(Cc2cccc(C#N)n2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(F)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| 62706106 | 81369 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 560 | 10 | 1 | 6 | 5.2 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CC2CCOCC2)CC1 | 10.1021/ml2002604 | ||
| CHEMBL2164215 | 81369 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 560 | 10 | 1 | 6 | 5.2 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CC2CCOCC2)CC1 | 10.1021/ml2002604 | ||
| 3008917 | 201096 | 4 | None | -6 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 481 | 5 | 0 | 3 | 6.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL62152 | 201096 | 4 | None | -6 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 481 | 5 | 0 | 3 | 6.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 3002977 | 2426 | 70 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.1c00408 | ||
| 803 | 2426 | 70 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.1c00408 | ||
| 806 | 2426 | 70 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.1c00408 | ||
| CHEMBL1201187 | 2426 | 70 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.1c00408 | ||
| CHEMBL256907 | 2426 | 70 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.1c00408 | ||
| CHEMBL584744 | 2426 | 70 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.1c00408 | ||
| DB04835 | 2426 | 70 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.1c00408 | ||
| 44511871 | 68883 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 584 | 13 | 1 | 8 | 5.0 | COCCOc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(C#N)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926901 | 68883 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 584 | 13 | 1 | 8 | 5.0 | COCCOc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(C#N)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| 72711958 | 92223 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 574 | 9 | 1 | 5 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccncc3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435864 | 92223 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 574 | 9 | 1 | 5 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccncc3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 72711740 | 92268 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 581 | 9 | 1 | 5 | 5.2 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(CC3CCOCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435909 | 92268 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 581 | 9 | 1 | 5 | 5.2 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(CC3CCOCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 62706109 | 81355 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 551 | 10 | 1 | 7 | 4.5 | Cc1cc(C#N)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CC2CCOCC2)CC1 | 10.1021/ml2002604 | ||
| CHEMBL2164201 | 81355 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 551 | 10 | 1 | 7 | 4.5 | Cc1cc(C#N)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CC2CCOCC2)CC1 | 10.1021/ml2002604 | ||
| 3008909 | 197421 | 1 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 473 | 4 | 1 | 3 | 5.9 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(C(F)(F)F)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL58897 | 197421 | 1 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 473 | 4 | 1 | 3 | 5.9 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(C(F)(F)F)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| 3013701 | 76741 | 1 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 643 | 10 | 0 | 6 | 4.7 | CS(=O)(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1021/jm051034q | ||
| CHEMBL207487 | 76741 | 1 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 643 | 10 | 0 | 6 | 4.7 | CS(=O)(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1021/jm051034q | ||
| 3002977 | 2426 | 70 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.1c00781 | ||
| 803 | 2426 | 70 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.1c00781 | ||
| 806 | 2426 | 70 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.1c00781 | ||
| CHEMBL1201187 | 2426 | 70 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.1c00781 | ||
| CHEMBL256907 | 2426 | 70 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.1c00781 | ||
| CHEMBL584744 | 2426 | 70 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.1c00781 | ||
| DB04835 | 2426 | 70 | None | 2 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.1c00781 | ||
| 72711739 | 92266 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 551 | 8 | 1 | 4 | 5.7 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435907 | 92266 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 551 | 8 | 1 | 4 | 5.7 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 62706108 | 81372 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 476 | 8 | 1 | 5 | 4.4 | CC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 | 10.1021/ml2002604 | ||
| CHEMBL2164218 | 81372 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 476 | 8 | 1 | 5 | 4.4 | CC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 | 10.1021/ml2002604 | ||
| 11636141 | 103069 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 683 | 17 | 1 | 8 | 7.9 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4nncn4CCC)cc2)CCCN3CCC)cc1 | 10.1021/jm0509703 | ||
| CHEMBL3085310 | 103069 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 683 | 17 | 1 | 8 | 7.9 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4nncn4CCC)cc2)CCCN3CCC)cc1 | 10.1021/jm0509703 | ||
| 57402802 | 68886 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 583 | 12 | 2 | 8 | 3.8 | Cc1ccncc1CN(c1ccc(OCC(N)=O)cc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C#N)nc2C)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926904 | 68886 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 583 | 12 | 2 | 8 | 3.8 | Cc1ccncc1CN(c1ccc(OCC(N)=O)cc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C#N)nc2C)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| 46225532 | 197991 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 547 | 6 | 0 | 5 | 3.8 | Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL593042 | 197991 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 547 | 6 | 0 | 5 | 3.8 | Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 3008928 | 200970 | 1 | None | -1 | 2 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 483 | 5 | 0 | 5 | 5.4 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL61424 | 200970 | 1 | None | -1 | 2 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 483 | 5 | 0 | 5 | 5.4 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 3013575 | 75418 | 1 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 682 | 17 | 1 | 7 | 8.4 | CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc([S+]([O-])Cc4cncn4CCC)cc2)CCN3CC(C)C)cc1 | 10.1021/jm0509703 | ||
| CHEMBL204821 | 75418 | 1 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 682 | 17 | 1 | 7 | 8.4 | CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc([S+]([O-])Cc4cncn4CCC)cc2)CCN3CC(C)C)cc1 | 10.1021/jm0509703 | ||
| 49798082 | 10719 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 579 | 9 | 1 | 5 | 5.5 | C=CCN(C(=O)OCc1ccc(Cl)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172043 | 10719 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 579 | 9 | 1 | 5 | 5.5 | C=CCN(C(=O)OCc1ccc(Cl)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 44194590 | 10724 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 612 | 9 | 2 | 4 | 5.4 | C=CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172048 | 10724 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 612 | 9 | 2 | 4 | 5.4 | C=CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 11353001 | 58500 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 525 | 3 | 0 | 5 | 4.5 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN(C3CCc4cc(Br)ccc43)[C@@H](C)C2)CC1 | 10.1021/ml1001536 | ||
| CHEMBL1688239 | 58500 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 525 | 3 | 0 | 5 | 4.5 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN(C3CCc4cc(Br)ccc43)[C@@H](C)C2)CC1 | 10.1021/ml1001536 | ||
| 11597 | 667 | 3 | None | -11 | 2 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00373 | ||
| 23725180 | 667 | 3 | None | -11 | 2 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00373 | ||
| CHEMBL4781426 | 667 | 3 | None | -11 | 2 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00373 | ||
| 51039119 | 175643 | 29 | None | 1 | 3 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
| CHEMBL4594419 | 175643 | 29 | None | 1 | 3 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
| 3008927 | 197180 | 1 | None | -2 | 2 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 482 | 5 | 0 | 4 | 6.0 | Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL58387 | 197180 | 1 | None | -2 | 2 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 482 | 5 | 0 | 4 | 6.0 | Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 3008909 | 197421 | 1 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 473 | 4 | 1 | 3 | 5.9 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(C(F)(F)F)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL58897 | 197421 | 1 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 473 | 4 | 1 | 3 | 5.9 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(C(F)(F)F)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| 72711956 | 92221 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 588 | 9 | 1 | 5 | 5.7 | Cc1ccncc1CN1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O | 10.1021/jm401101p | ||
| CHEMBL2435862 | 92221 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 588 | 9 | 1 | 5 | 5.7 | Cc1ccncc1CN1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O | 10.1021/jm401101p | ||
| 3009355 | 3926 | 21 | None | -1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 10.1021/ml1001536 | ||
| 807 | 3926 | 21 | None | -1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 10.1021/ml1001536 | ||
| CHEMBL82301 | 3926 | 21 | None | -1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 10.1021/ml1001536 | ||
| DB06652 | 3926 | 21 | None | -1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 10.1021/ml1001536 | ||
| 11605997 | 58502 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 515 | 3 | 0 | 5 | 4.8 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN(C3CCc4cc(C(F)(F)F)ccc43)[C@@H](C)C2)CC1 | 10.1021/ml1001536 | ||
| CHEMBL1688240 | 58502 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 515 | 3 | 0 | 5 | 4.8 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN(C3CCc4cc(C(F)(F)F)ccc43)[C@@H](C)C2)CC1 | 10.1021/ml1001536 | ||
| 71458736 | 81367 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 507 | 10 | 1 | 7 | 4.8 | COc1ccc(N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)cc1 | 10.1021/ml2002604 | ||
| CHEMBL2164213 | 81367 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 507 | 10 | 1 | 7 | 4.8 | COc1ccc(N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)cc1 | 10.1021/ml2002604 | ||
| 183790 | 3685 | 8 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm010468s | ||
| 783 | 3685 | 8 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm010468s | ||
| CHEMBL1178786 | 3685 | 8 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm010468s | ||
| 44512349 | 68884 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 577 | 13 | 1 | 7 | 5.2 | COCCOc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(F)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926902 | 68884 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 577 | 13 | 1 | 7 | 5.2 | COCCOc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(F)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| 72711742 | 92219 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 573 | 9 | 1 | 4 | 6.0 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccccc3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435860 | 92219 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 573 | 9 | 1 | 4 | 6.0 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccccc3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 49864971 | 15607 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 630 | 9 | 2 | 4 | 5.5 | C=CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2010.05.046 | ||
| CHEMBL1222769 | 15607 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 630 | 9 | 2 | 4 | 5.5 | C=CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2010.05.046 | ||
| 49768863 | 56901 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | Cc1nc(C(C)C)n([C@@H]2C[C@@H]3CC[C@H](C2)N3CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)n1 | 10.1021/jm100978n | ||
| CHEMBL1649912 | 56901 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | Cc1nc(C(C)C)n([C@@H]2C[C@@H]3CC[C@H](C2)N3CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)n1 | 10.1021/jm100978n | ||
| 3008913 | 101506 | 1 | None | -1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 495 | 6 | 0 | 3 | 6.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL301454 | 101506 | 1 | None | -1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 495 | 6 | 0 | 3 | 6.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 183790 | 3685 | 8 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/s0960-894x(00)00347-4 | ||
| 783 | 3685 | 8 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL1178786 | 3685 | 8 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/s0960-894x(00)00347-4 | ||
| 183790 | 3685 | 8 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm0509703 | ||
| 783 | 3685 | 8 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm0509703 | ||
| CHEMBL1178786 | 3685 | 8 | None | -2 | 4 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm0509703 | ||
| 5275759 | 76763 | 1 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 590 | 9 | 0 | 5 | 5.2 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C#N)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL207630 | 76763 | 1 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 590 | 9 | 0 | 5 | 5.2 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C#N)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 9810893 | 103066 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 682 | 17 | 1 | 7 | 8.5 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3CCC)cc1 | 10.1021/jm0509703 | ||
| CHEMBL3085307 | 103066 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 682 | 17 | 1 | 7 | 8.5 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3CCC)cc1 | 10.1021/jm0509703 | ||
| CHEMBL5084989 | 213168 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C(=O)O)cc3)CC2)c2ccc(C)c(Cl)c2)CC1 | 10.1021/acs.jmedchem.1c00781 | ||||
| 57395817 | 68876 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 535 | 10 | 1 | 6 | 5.4 | COc1ccc(N(Cc2cccnc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926894 | 68876 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 535 | 10 | 1 | 6 | 5.4 | COc1ccc(N(Cc2cccnc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| 72714078 | 92244 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 565 | 8 | 1 | 4 | 6.1 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435885 | 92244 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 565 | 8 | 1 | 4 | 6.1 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 72714079 | 92245 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 565 | 8 | 1 | 4 | 6.1 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435886 | 92245 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 565 | 8 | 1 | 4 | 6.1 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 49871007 | 58505 | 9 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 559 | 5 | 0 | 6 | 4.8 | CCO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/ml1001536 | ||
| CHEMBL1688243 | 58505 | 9 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 559 | 5 | 0 | 6 | 4.8 | CCO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/ml1001536 | ||
| 44194588 | 10786 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 622 | 11 | 2 | 6 | 3.2 | C=CCN(C(=O)Cc1ccc(S(=O)(=O)NC)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172625 | 10786 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 622 | 11 | 2 | 6 | 3.2 | C=CCN(C(=O)Cc1ccc(S(=O)(=O)NC)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 57394057 | 68879 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 519 | 10 | 1 | 6 | 4.9 | COc1ccc(N(Cc2cccnc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(F)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926897 | 68879 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 519 | 10 | 1 | 6 | 4.9 | COc1ccc(N(Cc2cccnc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(F)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| 49798089 | 10726 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 580 | 9 | 2 | 4 | 4.7 | C=CCN(C(=O)NCc1ccc(F)cc1F)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172050 | 10726 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 580 | 9 | 2 | 4 | 4.7 | C=CCN(C(=O)NCc1ccc(F)cc1F)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 49798090 | 10727 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 580 | 9 | 2 | 4 | 4.7 | C=CCN(C(=O)NCc1ccc(F)c(F)c1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172051 | 10727 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 580 | 9 | 2 | 4 | 4.7 | C=CCN(C(=O)NCc1ccc(F)c(F)c1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 50915506 | 18855 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 848 | 11 | 2 | 6 | 8.2 | CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(N(C(=O)NCc4ccc(C#N)cc4)c4cccc(F)c4)CC3)(c3cccc(F)c3)CC2)c(Cl)cc1F | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288663 | 18855 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 848 | 11 | 2 | 6 | 8.2 | CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(N(C(=O)NCc4ccc(C#N)cc4)c4cccc(F)c4)CC3)(c3cccc(F)c3)CC2)c(Cl)cc1F | 10.1016/j.bmcl.2010.10.033 | ||
| 49798085 | 10721 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 562 | 9 | 2 | 4 | 4.5 | C=CCN(C(=O)NCc1ccc(F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172045 | 10721 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 562 | 9 | 2 | 4 | 4.5 | C=CCN(C(=O)NCc1ccc(F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 72711741 | 92218 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 579 | 9 | 1 | 4 | 6.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(CC3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435859 | 92218 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 579 | 9 | 1 | 4 | 6.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(CC3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 11505350 | 168222 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 565 | 8 | 0 | 4 | 6.4 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(Sc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL437494 | 168222 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 565 | 8 | 0 | 4 | 6.4 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(Sc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 46225515 | 197974 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 551 | 6 | 0 | 5 | 4.1 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL592940 | 197974 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 551 | 6 | 0 | 5 | 4.1 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 3008904 | 198283 | 1 | None | 1 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 537 | 6 | 0 | 5 | 5.0 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3cccc(C#N)c3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL59511 | 198283 | 1 | None | 1 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 537 | 6 | 0 | 5 | 5.0 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3cccc(C#N)c3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 118727180 | 116881 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 592 | 8 | 0 | 5 | 4.2 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2C)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL3397991 | 116881 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 592 | 8 | 0 | 5 | 4.2 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2C)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| 44511967 | 68870 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 516 | 10 | 1 | 7 | 4.5 | COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926888 | 68870 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 516 | 10 | 1 | 7 | 4.5 | COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| 44511967 | 68870 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 516 | 10 | 1 | 7 | 4.5 | COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)cc1 | 10.1021/ml2002604 | ||
| CHEMBL1926888 | 68870 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 516 | 10 | 1 | 7 | 4.5 | COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)cc1 | 10.1021/ml2002604 | ||
| 3008907 | 200980 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 405 | 4 | 1 | 3 | 4.9 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL61465 | 200980 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 405 | 4 | 1 | 3 | 4.9 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 505868 | 27571 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 488 | 8 | 0 | 4 | 5.6 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL137072 | 27571 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 488 | 8 | 0 | 4 | 5.6 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 44357072 | 98040 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 553 | 12 | 1 | 7 | 4.7 | CCCN(c1nccc(OC)n1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL275998 | 98040 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 553 | 12 | 1 | 7 | 4.7 | CCCN(c1nccc(OC)n1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 505878 | 118683 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 518 | 10 | 1 | 5 | 5.5 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL343160 | 118683 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 518 | 10 | 1 | 5 | 5.5 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 44356944 | 118714 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 509 | 10 | 1 | 6 | 4.3 | CCN(c1ncccn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL343366 | 118714 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 509 | 10 | 1 | 6 | 4.3 | CCN(c1ncccn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 44357078 | 118896 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 591 | 11 | 1 | 6 | 5.7 | CCCN(c1ncc(C(F)(F)F)cn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL344641 | 118896 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 591 | 11 | 1 | 6 | 5.7 | CCCN(c1ncc(C(F)(F)F)cn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 46225346 | 198359 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 551 | 7 | 1 | 6 | 3.2 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)CO)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL595570 | 198359 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 551 | 7 | 1 | 6 | 3.2 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)CO)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 46837554 | 10568 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 516 | 9 | 1 | 4 | 5.6 | COC(=O)C1(Cc2ccccc2)CCN(CC[C@H](NC(=O)C2CCC2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.ejmech.2010.03.003 | ||
| CHEMBL1170529 | 10568 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 516 | 9 | 1 | 4 | 5.6 | COC(=O)C1(Cc2ccccc2)CCN(CC[C@H](NC(=O)C2CCC2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.ejmech.2010.03.003 | ||
| 46837425 | 102931 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 547 | 7 | 1 | 5 | 6.8 | Cc1nc2cccnc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)c1ccc(F)cc1)c1cccc2ccccc12 | 10.1016/j.ejmech.2010.03.003 | ||
| CHEMBL3084746 | 102931 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 547 | 7 | 1 | 5 | 6.8 | Cc1nc2cccnc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)c1ccc(F)cc1)c1cccc2ccccc12 | 10.1016/j.ejmech.2010.03.003 | ||
| 53389085 | 66133 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 438 | 16 | 0 | 0 | 9.5 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL1817911 | 66133 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 438 | 16 | 0 | 0 | 9.5 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL1852138 | 66133 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 438 | 16 | 0 | 0 | 9.5 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL2057814 | 66133 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 438 | 16 | 0 | 0 | 9.5 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| 53389085 | 66133 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 438 | 16 | 0 | 0 | 9.5 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL1817911 | 66133 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 438 | 16 | 0 | 0 | 9.5 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL1852138 | 66133 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 438 | 16 | 0 | 0 | 9.5 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL2057814 | 66133 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 438 | 16 | 0 | 0 | 9.5 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| 46226118 | 14007 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 531 | 10 | 1 | 4 | 6.0 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccccc3)c1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL1198032 | 14007 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 531 | 10 | 1 | 4 | 6.0 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccccc3)c1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL593605 | 14007 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 531 | 10 | 1 | 4 | 6.0 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccccc3)c1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| 44395365 | 123954 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 386 | 7 | 2 | 7 | 1.8 | CC(OC(=O)/C=C/c1ccc(O)cc1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1 | 10.1016/j.bmcl.2004.08.021 | ||
| CHEMBL363999 | 123954 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 386 | 7 | 2 | 7 | 1.8 | CC(OC(=O)/C=C/c1ccc(O)cc1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1 | 10.1016/j.bmcl.2004.08.021 | ||
| 53389085 | 66133 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 438 | 16 | 0 | 0 | 9.5 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL1817911 | 66133 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 438 | 16 | 0 | 0 | 9.5 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL1852138 | 66133 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 438 | 16 | 0 | 0 | 9.5 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL2057814 | 66133 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 438 | 16 | 0 | 0 | 9.5 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| 54752873 | 76822 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL2057812 | 76822 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL2078840 | 76822 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| 54752873 | 76822 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL2057812 | 76822 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL2078840 | 76822 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| 46225343 | 198457 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 521 | 6 | 0 | 5 | 3.8 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)C)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL596299 | 198457 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 521 | 6 | 0 | 5 | 3.8 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)C)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 3008911 | 100512 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 458 | 4 | 1 | 4 | 5.4 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3cccc4ccn(C)c34)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL294271 | 100512 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 458 | 4 | 1 | 4 | 5.4 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3cccc4ccn(C)c34)CC2)CC1 | 10.1021/jm031046g | ||
| 3008925 | 100447 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 492 | 5 | 1 | 3 | 6.5 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2cccc3[nH]ccc23)CC1 | 10.1021/jm031046g | ||
| CHEMBL293900 | 100447 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 492 | 5 | 1 | 3 | 6.5 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2cccc3[nH]ccc23)CC1 | 10.1021/jm031046g | ||
| 90656325 | 110578 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 431 | 7 | 1 | 6 | 3.8 | CC(C)Oc1ccc(N2CCN(Cc3ccccc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.bmcl.2014.03.073 | ||
| CHEMBL3263023 | 110578 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 431 | 7 | 1 | 6 | 3.8 | CC(C)Oc1ccc(N2CCN(Cc3ccccc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.bmcl.2014.03.073 | ||
| 70690766 | 76817 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 288 | 9 | 0 | 0 | 5.2 | CCCCCCCCCCc1c(C)cc(C)[n+]2c1CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL2064266 | 76817 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 288 | 9 | 0 | 0 | 5.2 | CCCCCCCCCCc1c(C)cc(C)[n+]2c1CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL2078746 | 76817 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 288 | 9 | 0 | 0 | 5.2 | CCCCCCCCCCc1c(C)cc(C)[n+]2c1CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| 57397596 | 68862 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 646 | 12 | 2 | 6 | 7.6 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(Oc3ccc(C(=O)O)cc3)cc2)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926878 | 68862 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 646 | 12 | 2 | 6 | 7.6 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(Oc3ccc(C(=O)O)cc3)cc2)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| 49798132 | 10631 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 547 | 9 | 1 | 4 | 4.4 | C=CCN(C(=O)Cc1ccc(F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1171029 | 10631 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 547 | 9 | 1 | 4 | 4.4 | C=CCN(C(=O)Cc1ccc(F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 52948296 | 18885 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 810 | 13 | 2 | 6 | 7.6 | CCCCN(C(=O)NCc1ccc(C#N)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288924 | 18885 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 810 | 13 | 2 | 6 | 7.6 | CCCCN(C(=O)NCc1ccc(C#N)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 44357379 | 27927 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 535 | 11 | 1 | 6 | 4.7 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(N(CC3CC3)c3ncccn3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL137327 | 27927 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 535 | 11 | 1 | 6 | 4.7 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(N(CC3CC3)c3ncccn3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00988-5 | ||
| 505869 | 28055 | 1 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 486 | 8 | 0 | 4 | 5.4 | C=CCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL137419 | 28055 | 1 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 486 | 8 | 0 | 4 | 5.4 | C=CCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 44357375 | 115503 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 523 | 11 | 1 | 6 | 4.7 | CCCN(c1cncnc1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL335562 | 115503 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 523 | 11 | 1 | 6 | 4.7 | CCCN(c1cncnc1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 9914742 | 166082 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 523 | 11 | 1 | 6 | 4.7 | CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL428104 | 166082 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 523 | 11 | 1 | 6 | 4.7 | CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 3008927 | 197180 | 1 | None | -2 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 482 | 5 | 0 | 4 | 6.0 | Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL58387 | 197180 | 1 | None | -2 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 482 | 5 | 0 | 4 | 6.0 | Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 53325460 | 58186 | 0 | None | -2 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 538 | 6 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683190 | 58186 | 0 | None | -2 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 538 | 6 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 3008934 | 197016 | 1 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 467 | 5 | 0 | 3 | 6.2 | Cc1cccc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL58101 | 197016 | 1 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 467 | 5 | 0 | 3 | 6.2 | Cc1cccc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 49864972 | 15608 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 640 | 11 | 2 | 6 | 3.3 | C=CCN(C(=O)Cc1ccc(S(=O)(=O)NC)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2010.05.046 | ||
| CHEMBL1222770 | 15608 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 640 | 11 | 2 | 6 | 3.3 | C=CCN(C(=O)Cc1ccc(S(=O)(=O)NC)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2010.05.046 | ||
| 49864975 | 15611 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 695 | 11 | 2 | 6 | 4.3 | C=CCN(C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H]1CN(C(=O)C2CCCC2)C[C@]1(O)c1cccc(F)c1 | 10.1016/j.bmcl.2010.05.046 | ||
| CHEMBL1222773 | 15611 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 695 | 11 | 2 | 6 | 4.3 | C=CCN(C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H]1CN(C(=O)C2CCCC2)C[C@]1(O)c1cccc(F)c1 | 10.1016/j.bmcl.2010.05.046 | ||
| 52943424 | 18874 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 833 | 12 | 2 | 7 | 6.8 | C=CCN(C(=O)Nc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288913 | 18874 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 833 | 12 | 2 | 7 | 6.8 | C=CCN(C(=O)Nc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 73346388 | 92237 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 566 | 8 | 1 | 4 | 6.6 | CNC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| CHEMBL2435878 | 92237 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 566 | 8 | 1 | 4 | 6.6 | CNC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| 118727176 | 116877 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 542 | 8 | 0 | 4 | 5.0 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3cccc(F)c3)CC2C)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL3397987 | 116877 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 542 | 8 | 0 | 4 | 5.0 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3cccc(F)c3)CC2C)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| 168279183 | 190317 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 541 | 9 | 1 | 8 | 5.2 | COC(=O)C1CCC(C(=O)N[C@@H](CCN2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)c2cccs2)CC1 | 10.1021/acs.jmedchem.2c01383 | ||
| CHEMBL5185201 | 190317 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 541 | 9 | 1 | 8 | 5.2 | COC(=O)C1CCC(C(=O)N[C@@H](CCN2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)c2cccs2)CC1 | 10.1021/acs.jmedchem.2c01383 | ||
| 145967391 | 163697 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 589 | 7 | 0 | 5 | 6.9 | Cc1nc2cnccc2n1C1CCN(CCC2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)Cc3ccccc3)C2)CC1 | 10.1021/acs.jmedchem.8b00180 | ||
| CHEMBL4211358 | 163697 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 589 | 7 | 0 | 5 | 6.9 | Cc1nc2cnccc2n1C1CCN(CCC2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)Cc3ccccc3)C2)CC1 | 10.1021/acs.jmedchem.8b00180 | ||
| 76327885 | 102928 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 418 | 6 | 0 | 6 | 4.3 | COC(=O)[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3cccnc31)C2)c1ccccc1 | 10.1016/j.bmcl.2010.02.023 | ||
| CHEMBL3084729 | 102928 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 418 | 6 | 0 | 6 | 4.3 | COC(=O)[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3cccnc31)C2)c1ccccc1 | 10.1016/j.bmcl.2010.02.023 | ||
| 44194496 | 10717 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 587 | 9 | 1 | 8 | 4.3 | C=CCN(C(=O)OCc1ccc2nonc2c1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172041 | 10717 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 587 | 9 | 1 | 8 | 4.3 | C=CCN(C(=O)OCc1ccc2nonc2c1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 57397595 | 68861 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 581 | 10 | 1 | 5 | 5.8 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(C(=O)N(C)C)cc2)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926877 | 68861 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 581 | 10 | 1 | 5 | 5.8 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(C(=O)N(C)C)cc2)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| 46225348 | 198488 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 515 | 6 | 0 | 5 | 3.8 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CCN(C(=O)C4CCCC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL596519 | 198488 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 515 | 6 | 0 | 5 | 3.8 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CCN(C(=O)C4CCCC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 3008936 | 197019 | 1 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 484 | 5 | 0 | 4 | 4.8 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL58109 | 197019 | 1 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 484 | 5 | 0 | 4 | 4.8 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 57401042 | 68869 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 560 | 9 | 1 | 6 | 5.8 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2cccc(C#N)c2)c2ccc(C#N)cc2)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926887 | 68869 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 560 | 9 | 1 | 6 | 5.8 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2cccc(C#N)c2)c2ccc(C#N)cc2)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| 126567277 | 165089 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 553 | 8 | 1 | 6 | 6.7 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(Cl)s1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4243842 | 165089 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 553 | 8 | 1 | 6 | 6.7 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(Cl)s1 | 10.1021/acs.jmedchem.8b01077 | ||
| 3008930 | 197003 | 1 | None | 1 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL58004 | 197003 | 1 | None | 1 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 11527582 | 76075 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 664 | 10 | 1 | 5 | 5.9 | CC(C)(C)NC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1021/jm051034q | ||
| CHEMBL205964 | 76075 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 664 | 10 | 1 | 5 | 5.9 | CC(C)(C)NC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1021/jm051034q | ||
| 505875 | 25770 | 1 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 487 | 8 | 0 | 5 | 4.8 | C=CCN(c1ncccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL135432 | 25770 | 1 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 487 | 8 | 0 | 5 | 4.8 | C=CCN(c1ncccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 505873 | 27738 | 1 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 486 | 8 | 0 | 4 | 5.4 | C=CCN(c1cccnc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL137206 | 27738 | 1 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 486 | 8 | 0 | 4 | 5.4 | C=CCN(c1cccnc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 3008913 | 101506 | 1 | None | -1 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 495 | 6 | 0 | 3 | 6.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL301454 | 101506 | 1 | None | -1 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 495 | 6 | 0 | 3 | 6.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 57395816 | 68874 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 535 | 10 | 1 | 6 | 5.4 | COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3cnc(Cl)cc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926892 | 68874 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 535 | 10 | 1 | 6 | 5.4 | COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3cnc(Cl)cc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| 72712159 | 92226 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 493 | 6 | 0 | 2 | 7.1 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435867 | 92226 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 493 | 6 | 0 | 2 | 7.1 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 | 10.1021/jm401101p | ||
| 73352463 | 92205 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 553 | 8 | 1 | 4 | 7.0 | O=C(O)c1cccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)c1 | 10.1021/jm401101p | ||
| CHEMBL2435846 | 92205 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 553 | 8 | 1 | 4 | 7.0 | O=C(O)c1cccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)c1 | 10.1021/jm401101p | ||
| 491775 | 12768 | 1 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL1188807 | 12768 | 1 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL537424 | 12768 | 1 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1021/jm060051s | ||
| 10117348 | 13814 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 455 | 8 | 1 | 4 | 4.1 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(OC)cc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL1196455 | 13814 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 455 | 8 | 1 | 4 | 4.1 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(OC)cc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL557015 | 13814 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 455 | 8 | 1 | 4 | 4.1 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(OC)cc1)CC2 | 10.1021/jm060051s | ||
| 10117348 | 13814 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 455 | 8 | 1 | 4 | 4.1 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(OC)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1196455 | 13814 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 455 | 8 | 1 | 4 | 4.1 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(OC)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL557015 | 13814 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 455 | 8 | 1 | 4 | 4.1 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(OC)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 10117348 | 13814 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 455 | 8 | 1 | 4 | 4.1 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(OC)cc1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL1196455 | 13814 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 455 | 8 | 1 | 4 | 4.1 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(OC)cc1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL557015 | 13814 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 455 | 8 | 1 | 4 | 4.1 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(OC)cc1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| 16728326 | 10714 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 589 | 9 | 1 | 7 | 4.5 | C=CCN(C(=O)OCc1ccc2c(c1)OCO2)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172037 | 10714 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 589 | 9 | 1 | 7 | 4.5 | C=CCN(C(=O)OCc1ccc2c(c1)OCO2)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 76317388 | 104113 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 614 | 11 | 0 | 4 | 5.8 | CCN(CCc1ccc(Cl)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| CHEMBL3104693 | 104113 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 614 | 11 | 0 | 4 | 5.8 | CCN(CCc1ccc(Cl)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| CHEMBL5071060 | 212480 | 0 | None | -3 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | None | None | None | Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 | 10.1021/acs.jmedchem.1c00408 | ||||
| 89702731 | 108908 | 0 | None | -3 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 1197 | 28 | 7 | 15 | 6.6 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 | 10.1039/c3md00080j | ||
| CHEMBL3219777 | 108908 | 0 | None | -3 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 1197 | 28 | 7 | 15 | 6.6 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 | 10.1039/c3md00080j | ||
| 162650661 | 179569 | 0 | None | -3 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 1197 | 28 | 7 | 15 | 6.6 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 | 10.1016/j.bmc.2016.09.059 | ||
| CHEMBL4748891 | 179569 | 0 | None | -3 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 1197 | 28 | 7 | 15 | 6.6 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 | 10.1016/j.bmc.2016.09.059 | ||
| 89702731 | 108908 | 0 | None | -3 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 1197 | 28 | 7 | 15 | 6.6 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 | nan | ||
| CHEMBL3219777 | 108908 | 0 | None | -3 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 1197 | 28 | 7 | 15 | 6.6 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 | nan | ||
| CHEMBL5074037 | 212538 | 0 | None | -1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | None | None | None | CC(C)c1nnc(CCNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)n1C1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 | 10.1021/acs.jmedchem.1c00408 | ||||
| 3008936 | 197019 | 1 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 484 | 5 | 0 | 4 | 4.8 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL58109 | 197019 | 1 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 484 | 5 | 0 | 4 | 4.8 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 122185609 | 122393 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 514 | 6 | 2 | 2 | 5.7 | Cc1c(CNC(=O)c2ccc3ccccc3c2)c(C)[n+]2c(c1CNC(=O)c1ccc3ccccc3c1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3604296 | 122393 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 514 | 6 | 2 | 2 | 5.7 | Cc1c(CNC(=O)c2ccc3ccccc3c2)c(C)[n+]2c(c1CNC(=O)c1ccc3ccccc3c1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3606029 | 122393 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 514 | 6 | 2 | 2 | 5.7 | Cc1c(CNC(=O)c2ccc3ccccc3c2)c(C)[n+]2c(c1CNC(=O)c1ccc3ccccc3c1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| 162677279 | 182896 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 886 | 25 | 5 | 11 | 4.9 | CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)Nc1cccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)c1 | 10.1016/j.bmc.2016.09.059 | ||
| CHEMBL4799343 | 182896 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 886 | 25 | 5 | 11 | 4.9 | CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)Nc1cccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)c1 | 10.1016/j.bmc.2016.09.059 | ||
| 46225344 | 198386 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 535 | 5 | 0 | 5 | 4.2 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)C)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL595760 | 198386 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 535 | 5 | 0 | 5 | 4.2 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)C)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 122185613 | 122401 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 578 | 8 | 2 | 2 | 7.5 | Cc1c(CNC(=O)c2ccc(C3CCCCC3)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(C3CCCCC3)cc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3604298 | 122401 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 578 | 8 | 2 | 2 | 7.5 | Cc1c(CNC(=O)c2ccc(C3CCCCC3)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(C3CCCCC3)cc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3606076 | 122401 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 578 | 8 | 2 | 2 | 7.5 | Cc1c(CNC(=O)c2ccc(C3CCCCC3)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(C3CCCCC3)cc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| 21064283 | 14217 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 561 | 10 | 2 | 5 | 5.6 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1170878 | 14217 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 561 | 10 | 2 | 5 | 5.6 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1200019 | 14217 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 561 | 10 | 2 | 5 | 5.6 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| 21064283 | 14217 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 561 | 10 | 2 | 5 | 5.6 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1170878 | 14217 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 561 | 10 | 2 | 5 | 5.6 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200019 | 14217 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 561 | 10 | 2 | 5 | 5.6 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 46226132 | 14004 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 575 | 11 | 2 | 5 | 5.7 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(C(=O)O)cc3)c1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL1198014 | 14004 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 575 | 11 | 2 | 5 | 5.7 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(C(=O)O)cc3)c1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL593205 | 14004 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 575 | 11 | 2 | 5 | 5.7 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(C(=O)O)cc3)c1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| 3002977 | 2426 | 70 | None | 2 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2014.12.052 | ||
| 803 | 2426 | 70 | None | 2 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2014.12.052 | ||
| 806 | 2426 | 70 | None | 2 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL1201187 | 2426 | 70 | None | 2 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL256907 | 2426 | 70 | None | 2 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL584744 | 2426 | 70 | None | 2 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2014.12.052 | ||
| DB04835 | 2426 | 70 | None | 2 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2014.12.052 | ||
| 3008930 | 197003 | 1 | None | 1 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL58004 | 197003 | 1 | None | 1 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 72713860 | 92272 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 532 | 8 | 1 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435913 | 92272 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 532 | 8 | 1 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 57395818 | 68885 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 548 | 10 | 1 | 7 | 4.2 | Cc1ccncc1CN(c1ccc([S+](C)[O-])cc1)C1CCN([C@H](C)CCNC(=O)c2c(C)ncnc2C)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926903 | 68885 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 548 | 10 | 1 | 7 | 4.2 | Cc1ccncc1CN(c1ccc([S+](C)[O-])cc1)C1CCN([C@H](C)CCNC(=O)c2c(C)ncnc2C)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| 16728785 | 12721 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL1188408 | 12721 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL536298 | 12721 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| 16728785 | 12721 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1188408 | 12721 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL536298 | 12721 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 21064293 | 14213 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 547 | 10 | 1 | 5 | 5.9 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(OC)cc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1170874 | 14213 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 547 | 10 | 1 | 5 | 5.9 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(OC)cc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200015 | 14213 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 547 | 10 | 1 | 5 | 5.9 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(OC)cc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 46226126 | 14001 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 561 | 11 | 1 | 5 | 6.0 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(OC)cc3)c1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL1198011 | 14001 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 561 | 11 | 1 | 5 | 6.0 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(OC)cc3)c1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL593177 | 14001 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 561 | 11 | 1 | 5 | 6.0 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(OC)cc3)c1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| 23577409 | 66085 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 563 | 10 | 3 | 6 | 4.2 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813439 | 66085 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 563 | 10 | 3 | 6 | 4.2 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851891 | 66085 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 563 | 10 | 3 | 6 | 4.2 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 162660215 | 180630 | 0 | None | -79 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 1197 | 28 | 7 | 15 | 6.6 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1 | 10.1016/j.bmc.2016.09.059 | ||
| CHEMBL4761273 | 180630 | 0 | None | -79 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 1197 | 28 | 7 | 15 | 6.6 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1 | 10.1016/j.bmc.2016.09.059 | ||
| 122185641 | 122407 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 414 | 6 | 2 | 2 | 3.4 | Cc1c(CNC(=O)c2ccccc2)c(C)[n+]2c(c1CNC(=O)c1ccccc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3604312 | 122407 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 414 | 6 | 2 | 2 | 3.4 | Cc1c(CNC(=O)c2ccccc2)c(C)[n+]2c(c1CNC(=O)c1ccccc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3606113 | 122407 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 414 | 6 | 2 | 2 | 3.4 | Cc1c(CNC(=O)c2ccccc2)c(C)[n+]2c(c1CNC(=O)c1ccccc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| 46225350 | 199473 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 515 | 7 | 0 | 5 | 3.8 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)CC4CCCC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL603325 | 199473 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 515 | 7 | 0 | 5 | 3.8 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)CC4CCCC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 70694942 | 76847 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 286 | 8 | 0 | 0 | 5.3 | CCCCCCCC/C=C/c1c(C)cc2[n+](c1C)CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL2064263 | 76847 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 286 | 8 | 0 | 0 | 5.3 | CCCCCCCC/C=C/c1c(C)cc2[n+](c1C)CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL2079186 | 76847 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 286 | 8 | 0 | 0 | 5.3 | CCCCCCCC/C=C/c1c(C)cc2[n+](c1C)CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| 168283795 | 190299 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 586 | 10 | 2 | 9 | 4.2 | COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](CCN1[C@@H]2CC[C@H]1C[C@H](n1c(C)nnc1C(C)C)C2)c1cccs1 | 10.1021/acs.jmedchem.2c01383 | ||
| CHEMBL5184978 | 190299 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 586 | 10 | 2 | 9 | 4.2 | COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](CCN1[C@@H]2CC[C@H]1C[C@H](n1c(C)nnc1C(C)C)C2)c1cccs1 | 10.1021/acs.jmedchem.2c01383 | ||
| 90666578 | 108911 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 528 | 8 | 2 | 6 | 5.5 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(N)cc1 | 10.1039/c3md00080j | ||
| CHEMBL3219780 | 108911 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 528 | 8 | 2 | 6 | 5.5 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(N)cc1 | 10.1039/c3md00080j | ||
| 112500049 | 131964 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 642 | 11 | 2 | 7 | 6.7 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COC(C)(C)C)cc1 | nan | ||
| CHEMBL3697626 | 131964 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 642 | 11 | 2 | 7 | 6.7 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COC(C)(C)C)cc1 | nan | ||
| 71458737 | 81370 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 563 | 9 | 2 | 6 | 5.2 | Cc1ccncc1CN(C(=O)Nc1cccnc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 | 10.1021/ml2002604 | ||
| CHEMBL2164216 | 81370 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 563 | 9 | 2 | 6 | 5.2 | Cc1ccncc1CN(C(=O)Nc1cccnc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 | 10.1021/ml2002604 | ||
| 49864974 | 15614 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 656 | 9 | 2 | 4 | 6.1 | C=CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H]1CN(C(=O)C2CCCC2)C[C@]1(O)c1cccc(F)c1 | 10.1016/j.bmcl.2010.05.046 | ||
| CHEMBL1222776 | 15614 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 656 | 9 | 2 | 4 | 6.1 | C=CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H]1CN(C(=O)C2CCCC2)C[C@]1(O)c1cccc(F)c1 | 10.1016/j.bmcl.2010.05.046 | ||
| 76316949 | 102930 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 511 | 8 | 1 | 5 | 5.5 | Cc1nc2cccnc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1 | 10.1016/j.bmcl.2010.02.023 | ||
| CHEMBL3084731 | 102930 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 511 | 8 | 1 | 5 | 5.5 | Cc1nc2cccnc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1 | 10.1016/j.bmcl.2010.02.023 | ||
| 3008913 | 101506 | 1 | None | -1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 495 | 6 | 0 | 3 | 6.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL301454 | 101506 | 1 | None | -1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 495 | 6 | 0 | 3 | 6.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 3008917 | 201096 | 4 | None | -6 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 481 | 5 | 0 | 3 | 6.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL62152 | 201096 | 4 | None | -6 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 481 | 5 | 0 | 3 | 6.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 49798130 | 10767 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 559 | 10 | 1 | 5 | 4.3 | C=CCN(C(=O)Cc1ccc(OC)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172438 | 10767 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 559 | 10 | 1 | 5 | 4.3 | C=CCN(C(=O)Cc1ccc(OC)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 3008902 | 200993 | 1 | None | -1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 512 | 6 | 0 | 4 | 5.1 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL61536 | 200993 | 1 | None | -1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 512 | 6 | 0 | 4 | 5.1 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 3008902 | 200993 | 1 | None | -1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 512 | 6 | 0 | 4 | 5.1 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL61536 | 200993 | 1 | None | -1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 512 | 6 | 0 | 4 | 5.1 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 3008905 | 197041 | 1 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 537 | 6 | 0 | 5 | 5.0 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccc(C#N)cc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL58248 | 197041 | 1 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 537 | 6 | 0 | 5 | 5.0 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccc(C#N)cc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 23577386 | 66040 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 626 | 11 | 3 | 7 | 4.3 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813435 | 66040 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 626 | 11 | 3 | 7 | 4.3 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851672 | 66040 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 626 | 11 | 3 | 7 | 4.3 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 52944616 | 18875 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 827 | 13 | 2 | 7 | 6.9 | C=CCN(C(=O)NCc1ccc(C(=O)OC)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288914 | 18875 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 827 | 13 | 2 | 7 | 6.9 | C=CCN(C(=O)NCc1ccc(C(=O)OC)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 72714077 | 92243 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 532 | 8 | 1 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435884 | 92243 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 532 | 8 | 1 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 3008911 | 100512 | 1 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 458 | 4 | 1 | 4 | 5.4 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3cccc4ccn(C)c34)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL294271 | 100512 | 1 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 458 | 4 | 1 | 4 | 5.4 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3cccc4ccn(C)c34)CC2)CC1 | 10.1021/jm031046g | ||
| 49798157 | 10783 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 597 | 9 | 1 | 4 | 5.3 | C=CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172622 | 10783 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 597 | 9 | 1 | 4 | 5.3 | C=CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 72711281 | 92260 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 547 | 8 | 1 | 6 | 4.6 | Cc1cccc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)n1 | 10.1021/jm401101p | ||
| CHEMBL2435901 | 92260 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 547 | 8 | 1 | 6 | 4.6 | Cc1cccc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)n1 | 10.1021/jm401101p | ||
| 72711048 | 92252 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 550 | 8 | 1 | 5 | 5.0 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(F)c2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435893 | 92252 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 550 | 8 | 1 | 5 | 5.0 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(F)c2)CC1 | 10.1021/jm401101p | ||
| 52944586 | 18862 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 838 | 12 | 1 | 6 | 8.6 | C=CCN(C(=O)OCc1ccc(C(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288873 | 18862 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 838 | 12 | 1 | 6 | 8.6 | C=CCN(C(=O)OCc1ccc(C(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 46225347 | 198361 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 559 | 5 | 0 | 5 | 4.7 | Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)C)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL595584 | 198361 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 559 | 5 | 0 | 5 | 4.7 | Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)C)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 46225530 | 197986 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 550 | 6 | 0 | 4 | 4.7 | Cc1ccnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL592997 | 197986 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 550 | 6 | 0 | 4 | 4.7 | Cc1ccnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 122668134 | 189746 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 415 | 7 | 1 | 6 | 4.2 | CC(=O)N[C@@H](CCN1[C@@H]2CC[C@H]1C[C@H](n1c(C)nnc1C(C)C)C2)c1cccs1 | 10.1021/acs.jmedchem.2c01383 | ||
| CHEMBL5176665 | 189746 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 415 | 7 | 1 | 6 | 4.2 | CC(=O)N[C@@H](CCN1[C@@H]2CC[C@H]1C[C@H](n1c(C)nnc1C(C)C)C2)c1cccs1 | 10.1021/acs.jmedchem.2c01383 | ||
| 118727172 | 116873 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 524 | 8 | 0 | 4 | 4.8 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccccc3)CC2C)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL3397983 | 116873 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 524 | 8 | 0 | 4 | 4.8 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccccc3)CC2C)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| 72712373 | 92232 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 502 | 6 | 0 | 4 | 5.3 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435873 | 92232 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 502 | 6 | 0 | 4 | 5.3 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 | 10.1021/jm401101p | ||
| 3008917 | 201096 | 4 | None | -6 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 481 | 5 | 0 | 3 | 6.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL62152 | 201096 | 4 | None | -6 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 481 | 5 | 0 | 3 | 6.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 3008935 | 201041 | 1 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 468 | 5 | 0 | 4 | 5.6 | Cc1ccnc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL61828 | 201041 | 1 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 468 | 5 | 0 | 4 | 5.6 | Cc1ccnc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 3008914 | 199324 | 1 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 573 | 6 | 0 | 3 | 7.2 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL60225 | 199324 | 1 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 573 | 6 | 0 | 3 | 7.2 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| 126567253 | 164960 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 537 | 8 | 1 | 6 | 6.2 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(F)s1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4240763 | 164960 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 537 | 8 | 1 | 6 | 6.2 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(F)s1 | 10.1021/acs.jmedchem.8b01077 | ||
| 72712597 | 92235 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 474 | 6 | 1 | 3 | 4.8 | CNC(=O)c1ccc(CN2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)cc1 | 10.1021/jm401101p | ||
| CHEMBL2435876 | 92235 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 474 | 6 | 1 | 3 | 4.8 | CNC(=O)c1ccc(CN2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)cc1 | 10.1021/jm401101p | ||
| 122668182 | 189654 | 2 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 573 | 7 | 1 | 6 | 5.4 | CC(=O)N1CCc2c(nc(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)N3CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccsc2)C1 | 10.1021/acs.jmedchem.2c01383 | ||
| CHEMBL5175220 | 189654 | 2 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 573 | 7 | 1 | 6 | 5.4 | CC(=O)N1CCc2c(nc(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)N3CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccsc2)C1 | 10.1021/acs.jmedchem.2c01383 | ||
| 52943426 | 18884 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 751 | 13 | 1 | 6 | 6.1 | C=CCN(C(=O)CCc1ccc(C#N)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288923 | 18884 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 751 | 13 | 1 | 6 | 6.1 | C=CCN(C(=O)CCc1ccc(C#N)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 16728786 | 13856 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@H]([C@@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL1196759 | 13856 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@H]([C@@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL558043 | 13856 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@H]([C@@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| 76310165 | 104112 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 598 | 11 | 0 | 4 | 5.3 | CCN(CCc1ccc(F)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| CHEMBL3104692 | 104112 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 598 | 11 | 0 | 4 | 5.3 | CCN(CCc1ccc(F)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| 56673134 | 66108 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 442 | 18 | 0 | 0 | 9.3 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL1817913 | 66108 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 442 | 18 | 0 | 0 | 9.3 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL1852005 | 66108 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 442 | 18 | 0 | 0 | 9.3 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL2057818 | 66108 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 442 | 18 | 0 | 0 | 9.3 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| 56673134 | 66108 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 442 | 18 | 0 | 0 | 9.3 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL1817913 | 66108 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 442 | 18 | 0 | 0 | 9.3 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL1852005 | 66108 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 442 | 18 | 0 | 0 | 9.3 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL2057818 | 66108 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 442 | 18 | 0 | 0 | 9.3 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| 72714319 | 92248 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 566 | 8 | 1 | 5 | 5.5 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccccc2Cl)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435889 | 92248 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 566 | 8 | 1 | 5 | 5.5 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccccc2Cl)CC1 | 10.1021/jm401101p | ||
| 72711050 | 92254 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 590 | 9 | 1 | 7 | 4.7 | COC(=O)c1cccc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 | 10.1021/jm401101p | ||
| CHEMBL2435895 | 92254 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 590 | 9 | 1 | 7 | 4.7 | COC(=O)c1cccc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 | 10.1021/jm401101p | ||
| 90666579 | 108912 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 628 | 9 | 2 | 7 | 7.3 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)OC(C)(C)C)cc1 | 10.1039/c3md00080j | ||
| CHEMBL3219781 | 108912 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 628 | 9 | 2 | 7 | 7.3 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)OC(C)(C)C)cc1 | 10.1039/c3md00080j | ||
| 57397603 | 68888 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 604 | 10 | 1 | 7 | 5.6 | Cc1ccncc1CN(c1ccc(N2CCOCC2)cc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1927007 | 68888 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 604 | 10 | 1 | 7 | 5.6 | Cc1ccncc1CN(c1ccc(N2CCOCC2)cc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| 72712375 | 92234 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 514 | 6 | 0 | 3 | 6.5 | Cc1ccccc1N1CCC(CN2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435875 | 92234 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 514 | 6 | 0 | 3 | 6.5 | Cc1ccccc1N1CCC(CN2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1021/jm401101p | ||
| 49871007 | 58505 | 9 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 559 | 5 | 0 | 6 | 4.8 | CCO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/ml1001536 | ||
| CHEMBL1688243 | 58505 | 9 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 559 | 5 | 0 | 6 | 4.8 | CCO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/ml1001536 | ||
| 3008929 | 193964 | 1 | None | -1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 498 | 5 | 0 | 4 | 5.2 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL556314 | 193964 | 1 | None | -1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 498 | 5 | 0 | 4 | 5.2 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 145983513 | 165008 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 457 | 8 | 1 | 6 | 5.2 | Cc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)NC(=O)C(C)C)s1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4242034 | 165008 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 457 | 8 | 1 | 6 | 5.2 | Cc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)NC(=O)C(C)C)s1 | 10.1021/acs.jmedchem.8b01077 | ||
| 10278617 | 94739 | 2 | None | 1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL255858 | 94739 | 2 | None | 1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 3008931 | 200960 | 1 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 559 | 6 | 0 | 5 | 7.1 | Cc1nc(-c2ccccc2)nc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL61374 | 200960 | 1 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 559 | 6 | 0 | 5 | 7.1 | Cc1nc(-c2ccccc2)nc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 464990 | 14270 | 1 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 491 | 8 | 2 | 4 | 4.5 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1c[nH]c(-c3ccccc3)n1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200254 | 14270 | 1 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 491 | 8 | 2 | 4 | 4.5 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1c[nH]c(-c3ccccc3)n1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL3216057 | 14270 | 1 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 491 | 8 | 2 | 4 | 4.5 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1c[nH]c(-c3ccccc3)n1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 46225343 | 198457 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 521 | 6 | 0 | 5 | 3.8 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)C)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL596299 | 198457 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 521 | 6 | 0 | 5 | 3.8 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)C)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 118727191 | 116892 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 535 | 7 | 0 | 5 | 4.7 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(c3ccc(C#N)cc3)CC2C)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL3398002 | 116892 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 535 | 7 | 0 | 5 | 4.7 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(c3ccc(C#N)cc3)CC2C)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| 62707284 | 76836 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 286 | 8 | 0 | 0 | 5.3 | CCCCCCCC/C=C\c1c(C)cc2[n+](c1C)CCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL2057807 | 76836 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 286 | 8 | 0 | 0 | 5.3 | CCCCCCCC/C=C\c1c(C)cc2[n+](c1C)CCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL2079027 | 76836 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 286 | 8 | 0 | 0 | 5.3 | CCCCCCCC/C=C\c1c(C)cc2[n+](c1C)CCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| 62707284 | 76836 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 286 | 8 | 0 | 0 | 5.3 | CCCCCCCC/C=C\c1c(C)cc2[n+](c1C)CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL2057807 | 76836 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 286 | 8 | 0 | 0 | 5.3 | CCCCCCCC/C=C\c1c(C)cc2[n+](c1C)CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL2079027 | 76836 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 286 | 8 | 0 | 0 | 5.3 | CCCCCCCC/C=C\c1c(C)cc2[n+](c1C)CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| 70688700 | 76843 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 288 | 9 | 0 | 0 | 5.2 | CCCCCCCCCCc1c(C)cc2[n+](c1C)CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL2064264 | 76843 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 288 | 9 | 0 | 0 | 5.2 | CCCCCCCCCCc1c(C)cc2[n+](c1C)CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL2079127 | 76843 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 288 | 9 | 0 | 0 | 5.2 | CCCCCCCCCCc1c(C)cc2[n+](c1C)CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| 46225346 | 198359 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 551 | 7 | 1 | 6 | 3.2 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)CO)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL595570 | 198359 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 551 | 7 | 1 | 6 | 3.2 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)CO)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 46225529 | 198013 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 591 | 6 | 0 | 5 | 4.3 | Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL593195 | 198013 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 591 | 6 | 0 | 5 | 4.3 | Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 3008912 | 199387 | 1 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 458 | 4 | 1 | 4 | 5.4 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc4ccn(C)c4c3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL60279 | 199387 | 1 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 458 | 4 | 1 | 4 | 5.4 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc4ccn(C)c4c3)CC2)CC1 | 10.1021/jm031046g | ||
| 90656328 | 110579 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 476 | 8 | 1 | 8 | 3.7 | CC(C)Oc1ccc(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.bmcl.2014.03.073 | ||
| CHEMBL3263025 | 110579 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 476 | 8 | 1 | 8 | 3.7 | CC(C)Oc1ccc(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.bmcl.2014.03.073 | ||
| 72712160 | 92228 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 495 | 6 | 0 | 4 | 5.9 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3ncccn3)cc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435869 | 92228 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 495 | 6 | 0 | 4 | 5.9 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3ncccn3)cc2)CC1 | 10.1021/jm401101p | ||
| 52943389 | 18865 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 848 | 13 | 1 | 8 | 7.0 | C=CCN(C(=O)OCc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288876 | 18865 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 848 | 13 | 1 | 8 | 7.0 | C=CCN(C(=O)OCc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 46191233 | 197988 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 575 | 6 | 0 | 5 | 4.6 | Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL593027 | 197988 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 575 | 6 | 0 | 5 | 4.6 | Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 118727184 | 116885 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 578 | 9 | 0 | 5 | 4.4 | Cc1ccc(N(CCCN2CCN(Cc3ccc(F)cc3)CC2C)C(=O)C2CCN(S(C)(=O)=O)CC2)cc1Cl | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL3397995 | 116885 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 578 | 9 | 0 | 5 | 4.4 | Cc1ccc(N(CCCN2CCN(Cc3ccc(F)cc3)CC2C)C(=O)C2CCN(S(C)(=O)=O)CC2)cc1Cl | 10.1016/j.bmc.2014.12.052 | ||
| 15950679 | 92227 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 495 | 6 | 0 | 4 | 5.9 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3cncnc3)cc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435868 | 92227 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 495 | 6 | 0 | 4 | 5.9 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3cncnc3)cc2)CC1 | 10.1021/jm401101p | ||
| 49798156 | 10474 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 607 | 9 | 1 | 4 | 5.0 | C=CCN(C(=O)Cc1ccc(Br)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1169819 | 10474 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 607 | 9 | 1 | 4 | 5.0 | C=CCN(C(=O)Cc1ccc(Br)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 72712161 | 92229 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 494 | 6 | 0 | 3 | 6.5 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3cccnc3)cc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435870 | 92229 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 494 | 6 | 0 | 3 | 6.5 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3cccnc3)cc2)CC1 | 10.1021/jm401101p | ||
| 10280945 | 12731 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 517 | 9 | 1 | 4 | 5.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL1188557 | 12731 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 517 | 9 | 1 | 4 | 5.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL536743 | 12731 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 517 | 9 | 1 | 4 | 5.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1021/jm060051s | ||
| 10277467 | 12973 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 443 | 7 | 1 | 5 | 3.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2 | 10.1021/jm060051s | ||
| CHEMBL1190217 | 12973 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 443 | 7 | 1 | 5 | 3.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2 | 10.1021/jm060051s | ||
| CHEMBL540366 | 12973 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 443 | 7 | 1 | 5 | 3.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2 | 10.1021/jm060051s | ||
| 21064331 | 14262 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 533 | 9 | 1 | 4 | 6.3 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Sc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1172871 | 14262 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 533 | 9 | 1 | 4 | 6.3 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Sc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200224 | 14262 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 533 | 9 | 1 | 4 | 6.3 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Sc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 46226120 | 14031 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 547 | 10 | 1 | 4 | 6.3 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Sc3ccccc3)c1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL1198114 | 14031 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 547 | 10 | 1 | 4 | 6.3 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Sc3ccccc3)c1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL596165 | 14031 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 547 | 10 | 1 | 4 | 6.3 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Sc3ccccc3)c1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| 122185611 | 122395 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 566 | 8 | 2 | 2 | 6.7 | Cc1c(CNC(=O)c2ccc(-c3ccccc3)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3604297 | 122395 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 566 | 8 | 2 | 2 | 6.7 | Cc1c(CNC(=O)c2ccc(-c3ccccc3)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3606030 | 122395 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 566 | 8 | 2 | 2 | 6.7 | Cc1c(CNC(=O)c2ccc(-c3ccccc3)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(-c3ccccc3)cc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| 52945865 | 18881 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 838 | 13 | 1 | 6 | 7.9 | C=CCN(C(=O)Cc1ccc(OC(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288920 | 18881 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 838 | 13 | 1 | 6 | 7.9 | C=CCN(C(=O)Cc1ccc(OC(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 168271219 | 189836 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 483 | 8 | 1 | 6 | 5.7 | Cc1ccsc1[C@H](CCN1[C@@H]2CC[C@H]1C[C@H](n1c(C)nnc1C(C)C)C2)NC(=O)C1CCCC1 | 10.1021/acs.jmedchem.2c01383 | ||
| CHEMBL5178121 | 189836 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 483 | 8 | 1 | 6 | 5.7 | Cc1ccsc1[C@H](CCN1[C@@H]2CC[C@H]1C[C@H](n1c(C)nnc1C(C)C)C2)NC(=O)C1CCCC1 | 10.1021/acs.jmedchem.2c01383 | ||
| 11237537 | 191500 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 509 | 7 | 1 | 5 | 4.3 | CC(=O)N[C@@H](CCN1C2CCC1CC(n1c(C)nc3c1CCN(C(=O)C(C)C)C3)C2)c1cccc(F)c1 | 10.1021/acs.jmedchem.2c01383 | ||
| CHEMBL5203084 | 191500 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 509 | 7 | 1 | 5 | 4.3 | CC(=O)N[C@@H](CCN1C2CCC1CC(n1c(C)nc3c1CCN(C(=O)C(C)C)C3)C2)c1cccc(F)c1 | 10.1021/acs.jmedchem.2c01383 | ||
| 10277467 | 12973 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 443 | 7 | 1 | 5 | 3.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL1190217 | 12973 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 443 | 7 | 1 | 5 | 3.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL540366 | 12973 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 443 | 7 | 1 | 5 | 3.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| 53324598 | 59796 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@@H]([C@@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1668020 | 59796 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@@H]([C@@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1739382 | 59796 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@@H]([C@@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| 46225512 | 199915 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 489 | 5 | 0 | 5 | 3.3 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C(C)(C)C)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL605727 | 199915 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 489 | 5 | 0 | 5 | 3.3 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C(C)(C)C)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 122185639 | 122406 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 442 | 6 | 2 | 2 | 4.0 | Cc1ccc(C(=O)NCc2c(C)c(CNC(=O)c3ccc(C)cc3)c3[n+](c2C)CCC3)cc1 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3604311 | 122406 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 442 | 6 | 2 | 2 | 4.0 | Cc1ccc(C(=O)NCc2c(C)c(CNC(=O)c3ccc(C)cc3)c3[n+](c2C)CCC3)cc1 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3606112 | 122406 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 442 | 6 | 2 | 2 | 4.0 | Cc1ccc(C(=O)NCc2c(C)c(CNC(=O)c3ccc(C)cc3)c3[n+](c2C)CCC3)cc1 | 10.1016/j.bmcl.2015.06.029 | ||
| 11466794 | 68859 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 535 | 9 | 1 | 5 | 5.9 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(C#N)cc2)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926875 | 68859 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 535 | 9 | 1 | 5 | 5.9 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(C#N)cc2)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| 122185633 | 122403 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 506 | 8 | 2 | 4 | 4.8 | CSc1ccc(C(=O)NCc2c(C)c(CNC(=O)c3ccc(SC)cc3)c3[n+](c2C)CCC3)cc1 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3604308 | 122403 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 506 | 8 | 2 | 4 | 4.8 | CSc1ccc(C(=O)NCc2c(C)c(CNC(=O)c3ccc(SC)cc3)c3[n+](c2C)CCC3)cc1 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3606102 | 122403 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 506 | 8 | 2 | 4 | 4.8 | CSc1ccc(C(=O)NCc2c(C)c(CNC(=O)c3ccc(SC)cc3)c3[n+](c2C)CCC3)cc1 | 10.1016/j.bmcl.2015.06.029 | ||
| 46225428 | 198259 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 503 | 5 | 0 | 5 | 3.7 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CCN(C(=O)C(C)(C)C)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL594914 | 198259 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 503 | 5 | 0 | 5 | 3.7 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CCN(C(=O)C(C)(C)C)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 76335572 | 104109 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 570 | 10 | 1 | 4 | 4.5 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(C(=O)NCCc3ccc(F)cc3)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| CHEMBL3104689 | 104109 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 570 | 10 | 1 | 4 | 4.5 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(C(=O)NCCc3ccc(F)cc3)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| 90656340 | 110640 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 461 | 8 | 1 | 7 | 3.8 | COc1ccc(CN2CCN(c3ccc(OC(C)C)c(NC(=O)c4cnccn4)c3)CC2)cc1 | 10.1016/j.bmcl.2014.03.073 | ||
| CHEMBL3263319 | 110640 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 461 | 8 | 1 | 7 | 3.8 | COc1ccc(CN2CCN(c3ccc(OC(C)C)c(NC(=O)c4cnccn4)c3)CC2)cc1 | 10.1016/j.bmcl.2014.03.073 | ||
| 57402800 | 68867 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 565 | 10 | 1 | 6 | 5.9 | COc1ccc(N(Cc2cccc(C#N)c2)C2CCN(C(C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926885 | 68867 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 565 | 10 | 1 | 6 | 5.9 | COc1ccc(N(Cc2cccc(C#N)c2)C2CCN(C(C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| 53319405 | 56907 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 499 | 7 | 1 | 6 | 2.9 | CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CN(S(C)(=O)=O)CC3)C2)c1ccccc1 | 10.1021/jm100978n | ||
| CHEMBL1649918 | 56907 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 499 | 7 | 1 | 6 | 2.9 | CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CN(S(C)(=O)=O)CC3)C2)c1ccccc1 | 10.1021/jm100978n | ||
| 46191232 | 197992 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 618 | 6 | 0 | 4 | 5.7 | Cc1cc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL593046 | 197992 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 618 | 6 | 0 | 4 | 5.7 | Cc1cc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 3008902 | 200993 | 1 | None | -1 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 512 | 6 | 0 | 4 | 5.1 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL61536 | 200993 | 1 | None | -1 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 512 | 6 | 0 | 4 | 5.1 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 3008908 | 200981 | 1 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 439 | 4 | 1 | 3 | 5.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(Cl)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL61466 | 200981 | 1 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 439 | 4 | 1 | 3 | 5.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(Cl)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| 11570778 | 140388 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 608 | 10 | 1 | 5 | 4.4 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3cccc(C(N)=O)c3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL382252 | 140388 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 608 | 10 | 1 | 5 | 4.4 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3cccc(C(N)=O)c3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 44194589 | 10785 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 608 | 10 | 2 | 6 | 2.9 | C=CCN(C(=O)Cc1ccc(S(N)(=O)=O)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172624 | 10785 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 608 | 10 | 2 | 6 | 2.9 | C=CCN(C(=O)Cc1ccc(S(N)(=O)=O)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 3002977 | 2426 | 70 | None | 2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2016.09.059 | ||
| 803 | 2426 | 70 | None | 2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2016.09.059 | ||
| 806 | 2426 | 70 | None | 2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2016.09.059 | ||
| CHEMBL1201187 | 2426 | 70 | None | 2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2016.09.059 | ||
| CHEMBL256907 | 2426 | 70 | None | 2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2016.09.059 | ||
| CHEMBL584744 | 2426 | 70 | None | 2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2016.09.059 | ||
| DB04835 | 2426 | 70 | None | 2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2016.09.059 | ||
| 3013689 | 76688 | 1 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 583 | 9 | 0 | 4 | 5.5 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL207190 | 76688 | 1 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 583 | 9 | 0 | 4 | 5.5 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 11700429 | 103070 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 710 | 17 | 1 | 7 | 9.1 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCCN3CC(C)C)cc1 | 10.1021/jm0509703 | ||
| CHEMBL3085311 | 103070 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 710 | 17 | 1 | 7 | 9.1 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCCN3CC(C)C)cc1 | 10.1021/jm0509703 | ||
| 3002977 | 2426 | 70 | None | 2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1039/c3md00080j | ||
| 803 | 2426 | 70 | None | 2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1039/c3md00080j | ||
| 806 | 2426 | 70 | None | 2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1039/c3md00080j | ||
| CHEMBL1201187 | 2426 | 70 | None | 2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1039/c3md00080j | ||
| CHEMBL256907 | 2426 | 70 | None | 2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1039/c3md00080j | ||
| CHEMBL584744 | 2426 | 70 | None | 2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1039/c3md00080j | ||
| DB04835 | 2426 | 70 | None | 2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1039/c3md00080j | ||
| 457871 | 100256 | 1 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 483 | 4 | 1 | 3 | 5.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(Br)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL292625 | 100256 | 1 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 483 | 4 | 1 | 3 | 5.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(Br)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| 3008928 | 200970 | 1 | None | -1 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 483 | 5 | 0 | 5 | 5.4 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL61424 | 200970 | 1 | None | -1 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 483 | 5 | 0 | 5 | 5.4 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 483407 | 165487 | 18 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 | nan | ||
| CHEMBL425618 | 165487 | 18 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 | nan | ||
| 5275765 | 137706 | 1 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 572 | 9 | 1 | 4 | 5.0 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C(N)=O)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL377026 | 137706 | 1 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 572 | 9 | 1 | 4 | 5.0 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C(N)=O)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 145984727 | 165015 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 483 | 8 | 1 | 6 | 5.8 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCCCC1)c1cccs1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4242114 | 165015 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 483 | 8 | 1 | 6 | 5.8 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCCCC1)c1cccs1 | 10.1021/acs.jmedchem.8b01077 | ||
| 145986021 | 165244 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 505 | 8 | 1 | 6 | 5.6 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)C1)c1cccs1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4248009 | 165244 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 505 | 8 | 1 | 6 | 5.6 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)C1)c1cccs1 | 10.1021/acs.jmedchem.8b01077 | ||
| 59458103 | 92265 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 537 | 8 | 1 | 4 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435906 | 92265 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 537 | 8 | 1 | 4 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 3008927 | 197180 | 1 | None | -2 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 482 | 5 | 0 | 4 | 6.0 | Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL58387 | 197180 | 1 | None | -2 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 482 | 5 | 0 | 4 | 6.0 | Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 3008914 | 199324 | 1 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 573 | 6 | 0 | 3 | 7.2 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL60225 | 199324 | 1 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 573 | 6 | 0 | 3 | 7.2 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| 11513274 | 103068 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 734 | 17 | 1 | 9 | 8.0 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3Cc2cnn(C)c2)cc1 | 10.1021/jm0509703 | ||
| CHEMBL3085309 | 103068 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 734 | 17 | 1 | 9 | 8.0 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3Cc2cnn(C)c2)cc1 | 10.1021/jm0509703 | ||
| 57397598 | 68872 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 515 | 10 | 1 | 6 | 5.1 | COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)ccnc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926890 | 68872 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 515 | 10 | 1 | 6 | 5.1 | COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)ccnc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| 59458247 | 92271 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 571 | 8 | 1 | 5 | 6.2 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccsc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435912 | 92271 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 571 | 8 | 1 | 5 | 6.2 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccsc2)CC1 | 10.1021/jm401101p | ||
| 3008923 | 197221 | 1 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 521 | 5 | 0 | 3 | 7.3 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2c(Cl)cccc2Cl)CC1 | 10.1021/jm031046g | ||
| CHEMBL58441 | 197221 | 1 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 521 | 5 | 0 | 3 | 7.3 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2c(Cl)cccc2Cl)CC1 | 10.1021/jm031046g | ||
| 3008908 | 200981 | 1 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 439 | 4 | 1 | 3 | 5.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(Cl)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL61466 | 200981 | 1 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 439 | 4 | 1 | 3 | 5.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(Cl)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| 168268916 | 189411 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 549 | 10 | 1 | 7 | 5.9 | COCc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1 | 10.1021/acs.jmedchem.2c01383 | ||
| CHEMBL5171331 | 189411 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 549 | 10 | 1 | 7 | 5.9 | COCc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1 | 10.1021/acs.jmedchem.2c01383 | ||
| 122668213 | 165031 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 483 | 8 | 1 | 6 | 5.7 | Cc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCCC2)s1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4242489 | 165031 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 483 | 8 | 1 | 6 | 5.7 | Cc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCCC2)s1 | 10.1021/acs.jmedchem.8b01077 | ||
| 145984502 | 165051 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 517 | 8 | 1 | 6 | 5.8 | Cc1nnc(C2CC2)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4242913 | 165051 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 517 | 8 | 1 | 6 | 5.8 | Cc1nnc(C2CC2)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1 | 10.1021/acs.jmedchem.8b01077 | ||
| 145984829 | 165265 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 491 | 8 | 1 | 6 | 5.2 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CC(F)(F)C1)c1cccs1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4248472 | 165265 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 491 | 8 | 1 | 6 | 5.2 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CC(F)(F)C1)c1cccs1 | 10.1021/acs.jmedchem.8b01077 | ||
| 52948296 | 18885 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 810 | 13 | 2 | 6 | 7.6 | CCCCN(C(=O)NCc1ccc(C#N)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288924 | 18885 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 810 | 13 | 2 | 6 | 7.6 | CCCCN(C(=O)NCc1ccc(C#N)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 3008917 | 201096 | 4 | None | -6 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 481 | 5 | 0 | 3 | 6.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL62152 | 201096 | 4 | None | -6 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 481 | 5 | 0 | 3 | 6.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 49798086 | 10722 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 578 | 9 | 2 | 4 | 5.0 | C=CCN(C(=O)NCc1ccc(Cl)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172046 | 10722 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 578 | 9 | 2 | 4 | 5.0 | C=CCN(C(=O)NCc1ccc(Cl)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 11577846 | 76767 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 581 | 8 | 0 | 4 | 5.4 | CC(=O)N1CCC(C(=O)N(CCCN2CCC([S+]([O-])c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL207654 | 76767 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 581 | 8 | 0 | 4 | 5.4 | CC(=O)N1CCC(C(=O)N(CCCN2CCC([S+]([O-])c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 145985461 | 164946 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 505 | 8 | 1 | 6 | 5.5 | CCc1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4240475 | 164946 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 505 | 8 | 1 | 6 | 5.5 | CCc1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1 | 10.1021/acs.jmedchem.8b01077 | ||
| 126567264 | 165256 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 533 | 8 | 1 | 6 | 6.3 | Cc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)s1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4248282 | 165256 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 533 | 8 | 1 | 6 | 6.3 | Cc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)s1 | 10.1021/acs.jmedchem.8b01077 | ||
| 3008932 | 200959 | 1 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 560 | 6 | 0 | 6 | 6.5 | Cc1nc(-c2ccncc2)nc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL61373 | 200959 | 1 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 560 | 6 | 0 | 6 | 6.5 | Cc1nc(-c2ccncc2)nc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 3008904 | 198283 | 1 | None | 1 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 537 | 6 | 0 | 5 | 5.0 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3cccc(C#N)c3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL59511 | 198283 | 1 | None | 1 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 537 | 6 | 0 | 5 | 5.0 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3cccc(C#N)c3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 145983733 | 164920 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 571 | 8 | 1 | 6 | 6.5 | O=C(N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@@H](n1c(C3CC3)nnc1C(F)(F)F)C2)c1ccsc1)C1CCC(F)(F)CC1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4239790 | 164920 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 571 | 8 | 1 | 6 | 6.5 | O=C(N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@@H](n1c(C3CC3)nnc1C(F)(F)F)C2)c1ccsc1)C1CCC(F)(F)CC1 | 10.1021/acs.jmedchem.8b01077 | ||
| 145982775 | 164997 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 483 | 8 | 1 | 7 | 4.6 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(=O)C1)c1cccs1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4241721 | 164997 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 483 | 8 | 1 | 7 | 4.6 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(=O)C1)c1cccs1 | 10.1021/acs.jmedchem.8b01077 | ||
| 145985042 | 165115 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 517 | 8 | 1 | 6 | 5.8 | Cc1nnc(C2CC2)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccs1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4244672 | 165115 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 517 | 8 | 1 | 6 | 5.8 | Cc1nnc(C2CC2)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccs1 | 10.1021/acs.jmedchem.8b01077 | ||
| 72711955 | 92220 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 574 | 9 | 1 | 5 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccccn3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435861 | 92220 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 574 | 9 | 1 | 5 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccccn3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 16663418 | 10712 | 15 | None | -1 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 590 | 10 | 1 | 7 | 4.7 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172035 | 10712 | 15 | None | -1 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 590 | 10 | 1 | 7 | 4.7 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 3008930 | 197003 | 1 | None | 1 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL58004 | 197003 | 1 | None | 1 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 16663418 | 10712 | 15 | None | -1 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 590 | 10 | 1 | 7 | 4.7 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.046 | ||
| CHEMBL1172035 | 10712 | 15 | None | -1 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 590 | 10 | 1 | 7 | 4.7 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.046 | ||
| 44194676 | 10728 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 637 | 11 | 3 | 6 | 3.3 | C=CCN(C(=O)NCc1ccc(S(=O)(=O)NC)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172052 | 10728 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 637 | 11 | 3 | 6 | 3.3 | C=CCN(C(=O)NCc1ccc(S(=O)(=O)NC)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 49864973 | 15609 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 640 | 11 | 2 | 6 | 3.3 | C=CCN(C(=O)Cc1ccc(S(=O)(=O)NC)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2010.05.046 | ||
| CHEMBL1222771 | 15609 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 640 | 11 | 2 | 6 | 3.3 | C=CCN(C(=O)Cc1ccc(S(=O)(=O)NC)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2010.05.046 | ||
| 3500 | 1498 | 9 | None | 245 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 483 | 7 | 1 | 5 | 3.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C21CCN(CC2)Cc1ccc2c(c1)OCCO2 | 10.1021/jm060051s | ||
| 491774 | 1498 | 9 | None | 245 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 483 | 7 | 1 | 5 | 3.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C21CCN(CC2)Cc1ccc2c(c1)OCCO2 | 10.1021/jm060051s | ||
| CHEMBL1196395 | 1498 | 9 | None | 245 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 483 | 7 | 1 | 5 | 3.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C21CCN(CC2)Cc1ccc2c(c1)OCCO2 | 10.1021/jm060051s | ||
| 49798083 | 10720 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 623 | 9 | 1 | 5 | 5.6 | C=CCN(C(=O)OCc1ccc(Br)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172044 | 10720 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 623 | 9 | 1 | 5 | 5.6 | C=CCN(C(=O)OCc1ccc(Br)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 52948295 | 18872 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 780 | 11 | 2 | 6 | 7.3 | C=CCN(C(=O)Nc1ccc(C#N)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288911 | 18872 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 780 | 11 | 2 | 6 | 7.3 | C=CCN(C(=O)Nc1ccc(C#N)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 145983844 | 165249 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 484 | 8 | 2 | 7 | 3.5 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1cccs1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4248119 | 165249 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 484 | 8 | 2 | 7 | 3.5 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1cccs1 | 10.1021/acs.jmedchem.8b01077 | ||
| 72713859 | 92270 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 532 | 8 | 1 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435911 | 92270 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 532 | 8 | 1 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 3008919 | 100298 | 1 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 453 | 5 | 0 | 3 | 6.0 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm031046g | ||
| CHEMBL292894 | 100298 | 1 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 453 | 5 | 0 | 3 | 6.0 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm031046g | ||
| 10184169 | 12711 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 441 | 11 | 1 | 3 | 4.4 | CCCN1C(=O)[C@H](CC(C)C)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL1188324 | 12711 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 441 | 11 | 1 | 3 | 4.4 | CCCN1C(=O)[C@H](CC(C)C)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL536063 | 12711 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 441 | 11 | 1 | 3 | 4.4 | CCCN1C(=O)[C@H](CC(C)C)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| 56661526 | 66079 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 562 | 8 | 3 | 6 | 3.5 | CCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813447 | 66079 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 562 | 8 | 3 | 6 | 3.5 | CCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851866 | 66079 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 562 | 8 | 3 | 6 | 3.5 | CCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 57331340 | 104099 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 580 | 10 | 0 | 4 | 5.4 | CCN(Cc1ccc(C)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| CHEMBL3104677 | 104099 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 580 | 10 | 0 | 4 | 5.4 | CCN(Cc1ccc(C)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| 118727182 | 116883 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 511 | 8 | 0 | 3 | 6.2 | Cc1ccc(N(CCCN2CCN(Cc3ccc(F)cc3)CC2C)C(=O)c2ccc(F)cc2)cc1Cl | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL3397993 | 116883 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 511 | 8 | 0 | 3 | 6.2 | Cc1ccc(N(CCCN2CCN(Cc3ccc(F)cc3)CC2C)C(=O)c2ccc(F)cc2)cc1Cl | 10.1016/j.bmc.2014.12.052 | ||
| 46191232 | 197992 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 618 | 6 | 0 | 4 | 5.7 | Cc1cc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL593046 | 197992 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 618 | 6 | 0 | 4 | 5.7 | Cc1cc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 21927139 | 14264 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 518 | 9 | 1 | 5 | 5.3 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)nc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200232 | 14264 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 518 | 9 | 1 | 5 | 5.3 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)nc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL3216934 | 14264 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 518 | 9 | 1 | 5 | 5.3 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)nc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 168293785 | 191578 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 576 | 9 | 1 | 8 | 4.2 | Cc1csc([C@H](CCN2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCN(S(C)(=O)=O)CC2)c1 | 10.1021/acs.jmedchem.2c01383 | ||
| CHEMBL5204027 | 191578 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 576 | 9 | 1 | 8 | 4.2 | Cc1csc([C@H](CCN2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCN(S(C)(=O)=O)CC2)c1 | 10.1021/acs.jmedchem.2c01383 | ||
| 52944618 | 18882 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 797 | 13 | 2 | 6 | 6.1 | C=CCN(C(=O)Cc1ccc(C(N)=O)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288921 | 18882 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 797 | 13 | 2 | 6 | 6.1 | C=CCN(C(=O)Cc1ccc(C(N)=O)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 10186729 | 13840 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@@H]([C@@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL1196666 | 13840 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@@H]([C@@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL557789 | 13840 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@@H]([C@@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| 56678576 | 66295 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 576 | 9 | 3 | 6 | 3.9 | CCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813449 | 66295 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 576 | 9 | 3 | 6 | 3.9 | CCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1852754 | 66295 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 576 | 9 | 3 | 6 | 3.9 | CCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 118727181 | 116882 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 431 | 7 | 0 | 3 | 4.7 | CC(=O)N(CCCN1CCN(Cc2ccc(F)cc2)CC1C)c1ccc(C)c(Cl)c1 | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL3397992 | 116882 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 431 | 7 | 0 | 3 | 4.7 | CC(=O)N(CCCN1CCN(Cc2ccc(F)cc2)CC1C)c1ccc(C)c(Cl)c1 | 10.1016/j.bmc.2014.12.052 | ||
| 3008911 | 100512 | 1 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 458 | 4 | 1 | 4 | 5.4 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3cccc4ccn(C)c34)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL294271 | 100512 | 1 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 458 | 4 | 1 | 4 | 5.4 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3cccc4ccn(C)c34)CC2)CC1 | 10.1021/jm031046g | ||
| 52947063 | 18863 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 788 | 12 | 1 | 6 | 7.7 | C=CCN(C(=O)OCc1ccc(F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288874 | 18863 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 788 | 12 | 1 | 6 | 7.7 | C=CCN(C(=O)OCc1ccc(F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 46225533 | 197995 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 590 | 6 | 0 | 4 | 4.9 | Cc1cc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL593080 | 197995 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 590 | 6 | 0 | 4 | 4.9 | Cc1cc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 73355478 | 92236 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 509 | 7 | 0 | 3 | 7.3 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435877 | 92236 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 509 | 7 | 0 | 3 | 7.3 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 | 10.1021/jm401101p | ||
| 49798081 | 10718 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 563 | 9 | 1 | 5 | 5.0 | C=CCN(C(=O)OCc1ccc(F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172042 | 10718 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 563 | 9 | 1 | 5 | 5.0 | C=CCN(C(=O)OCc1ccc(F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 16659334 | 13891 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@@H]([C@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1197042 | 13891 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@@H]([C@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL559168 | 13891 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@@H]([C@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| 3008931 | 200960 | 1 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 559 | 6 | 0 | 5 | 7.1 | Cc1nc(-c2ccccc2)nc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL61374 | 200960 | 1 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 559 | 6 | 0 | 5 | 7.1 | Cc1nc(-c2ccccc2)nc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 90656333 | 110581 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 509 | 7 | 1 | 6 | 4.6 | CC(C)Oc1ccc(N2CCN(Cc3ccc(Br)cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.bmcl.2014.03.073 | ||
| CHEMBL3263029 | 110581 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 509 | 7 | 1 | 6 | 4.6 | CC(C)Oc1ccc(N2CCN(Cc3ccc(Br)cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.bmcl.2014.03.073 | ||
| 56678574 | 66047 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 593 | 10 | 4 | 7 | 3.6 | CCCCN1C(=O)[C@@H]([C@@H](O)C2CCC(O)CC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813443 | 66047 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 593 | 10 | 4 | 7 | 3.6 | CCCCN1C(=O)[C@@H]([C@@H](O)C2CCC(O)CC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851694 | 66047 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 593 | 10 | 4 | 7 | 3.6 | CCCCN1C(=O)[C@@H]([C@@H](O)C2CCC(O)CC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 56664937 | 66078 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 549 | 8 | 3 | 6 | 3.8 | CCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813446 | 66078 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 549 | 8 | 3 | 6 | 3.8 | CCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851865 | 66078 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 549 | 8 | 3 | 6 | 3.8 | CCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 118727190 | 116891 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 521 | 7 | 0 | 5 | 4.3 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(c3ccc(C#N)cc3)CC2)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL3398001 | 116891 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 521 | 7 | 0 | 5 | 4.3 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(c3ccc(C#N)cc3)CC2)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| 122185637 | 122405 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 470 | 8 | 2 | 2 | 4.5 | CCc1ccc(C(=O)NCc2c(C)c(CNC(=O)c3ccc(CC)cc3)c3[n+](c2C)CCC3)cc1 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3604310 | 122405 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 470 | 8 | 2 | 2 | 4.5 | CCc1ccc(C(=O)NCc2c(C)c(CNC(=O)c3ccc(CC)cc3)c3[n+](c2C)CCC3)cc1 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3606111 | 122405 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 470 | 8 | 2 | 2 | 4.5 | CCc1ccc(C(=O)NCc2c(C)c(CNC(=O)c3ccc(CC)cc3)c3[n+](c2C)CCC3)cc1 | 10.1016/j.bmcl.2015.06.029 | ||
| 52948264 | 18861 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 815 | 13 | 1 | 8 | 7.5 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288872 | 18861 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 815 | 13 | 1 | 8 | 7.5 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 46225532 | 197991 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 547 | 6 | 0 | 5 | 3.8 | Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL593042 | 197991 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 547 | 6 | 0 | 5 | 3.8 | Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 44404643 | 71878 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 611 | 12 | 1 | 6 | 4.5 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(NS(C)(=O)=O)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL198114 | 71878 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 611 | 12 | 1 | 6 | 4.5 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(NS(C)(=O)=O)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 3008930 | 197003 | 1 | None | 1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL58004 | 197003 | 1 | None | 1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 145983159 | 165376 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 497 | 8 | 1 | 7 | 4.8 | Cc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2=CCOCC2)s1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4250560 | 165376 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 497 | 8 | 1 | 7 | 4.8 | Cc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2=CCOCC2)s1 | 10.1021/acs.jmedchem.8b01077 | ||
| 3008932 | 200959 | 1 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 560 | 6 | 0 | 6 | 6.5 | Cc1nc(-c2ccncc2)nc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL61373 | 200959 | 1 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 560 | 6 | 0 | 6 | 6.5 | Cc1nc(-c2ccncc2)nc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 72711506 | 92261 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 511 | 8 | 1 | 4 | 4.8 | CCN1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O | 10.1021/jm401101p | ||
| CHEMBL2435902 | 92261 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 511 | 8 | 1 | 4 | 4.8 | CCN1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O | 10.1021/jm401101p | ||
| 162674876 | 182753 | 0 | None | -109 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 1169 | 26 | 7 | 15 | 5.8 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 | 10.1016/j.bmc.2016.09.059 | ||
| CHEMBL4797451 | 182753 | 0 | None | -109 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 1169 | 26 | 7 | 15 | 5.8 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 | 10.1016/j.bmc.2016.09.059 | ||
| 46225428 | 198259 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 503 | 5 | 0 | 5 | 3.7 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CCN(C(=O)C(C)(C)C)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL594914 | 198259 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 503 | 5 | 0 | 5 | 3.7 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CCN(C(=O)C(C)(C)C)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 52948295 | 18872 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 780 | 11 | 2 | 6 | 7.3 | C=CCN(C(=O)Nc1ccc(C#N)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288911 | 18872 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 780 | 11 | 2 | 6 | 7.3 | C=CCN(C(=O)Nc1ccc(C#N)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 118727173 | 116874 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 538 | 8 | 0 | 4 | 5.1 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccc(C)cc3)CC2C)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL3397984 | 116874 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 538 | 8 | 0 | 4 | 5.1 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccc(C)cc3)CC2C)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| 118727178 | 116879 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 528 | 8 | 0 | 4 | 4.7 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccc(F)cc3)CC2C)c2cccc(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL3397989 | 116879 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 528 | 8 | 0 | 4 | 4.7 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccc(F)cc3)CC2C)c2cccc(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| 3002977 | 2426 | 70 | None | 2 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.ejmech.2013.11.013 | ||
| 803 | 2426 | 70 | None | 2 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.ejmech.2013.11.013 | ||
| 806 | 2426 | 70 | None | 2 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.ejmech.2013.11.013 | ||
| CHEMBL1201187 | 2426 | 70 | None | 2 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.ejmech.2013.11.013 | ||
| CHEMBL256907 | 2426 | 70 | None | 2 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.ejmech.2013.11.013 | ||
| CHEMBL584744 | 2426 | 70 | None | 2 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.ejmech.2013.11.013 | ||
| DB04835 | 2426 | 70 | None | 2 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.ejmech.2013.11.013 | ||
| 57331278 | 104106 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 572 | 9 | 1 | 4 | 5.0 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| CHEMBL3104684 | 104106 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 572 | 9 | 1 | 4 | 5.0 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| 3008908 | 200981 | 1 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 439 | 4 | 1 | 3 | 5.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(Cl)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL61466 | 200981 | 1 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 439 | 4 | 1 | 3 | 5.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(Cl)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| 57331274 | 104104 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 538 | 9 | 1 | 4 | 4.4 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(C(=O)NCc3ccccc3)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| CHEMBL3104682 | 104104 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 538 | 9 | 1 | 4 | 4.4 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(C(=O)NCc3ccccc3)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| 56661524 | 66098 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 549 | 10 | 3 | 6 | 3.8 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813438 | 66098 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 549 | 10 | 3 | 6 | 3.8 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851951 | 66098 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 549 | 10 | 3 | 6 | 3.8 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 16124598 | 10629 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 472 | 6 | 2 | 5 | 5.3 | O=C(O)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171008 | 10629 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 472 | 6 | 2 | 5 | 5.3 | O=C(O)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| 145986205 | 165109 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 532 | 8 | 1 | 6 | 5.5 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(F)nc1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4244470 | 165109 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 532 | 8 | 1 | 6 | 5.5 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(F)nc1 | 10.1021/acs.jmedchem.8b01077 | ||
| 76313867 | 104114 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 566 | 10 | 0 | 4 | 4.9 | CCN(C(=O)Cc1ccccc1)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| CHEMBL3104694 | 104114 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 566 | 10 | 0 | 4 | 4.9 | CCN(C(=O)Cc1ccccc1)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| 46837553 | 102932 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 569 | 10 | 1 | 6 | 6.2 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)COc1ccccc1)c1ccc(C(F)(F)F)cc1 | 10.1016/j.ejmech.2010.03.003 | ||
| CHEMBL3084747 | 102932 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 569 | 10 | 1 | 6 | 6.2 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)COc1ccccc1)c1ccc(C(F)(F)F)cc1 | 10.1016/j.ejmech.2010.03.003 | ||
| 90656342 | 110642 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 488 | 8 | 2 | 7 | 3.8 | CC(=O)Nc1ccc(CN2CCN(c3ccc(OC(C)C)c(NC(=O)c4cnccn4)c3)CC2)cc1 | 10.1016/j.bmcl.2014.03.073 | ||
| CHEMBL3263321 | 110642 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 488 | 8 | 2 | 7 | 3.8 | CC(=O)Nc1ccc(CN2CCN(c3ccc(OC(C)C)c(NC(=O)c4cnccn4)c3)CC2)cc1 | 10.1016/j.bmcl.2014.03.073 | ||
| 118727183 | 116884 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 542 | 8 | 0 | 4 | 5.0 | CC(=O)N1CCCC(C(=O)N(CCCN2CCN(Cc3ccc(F)cc3)CC2C)c2ccc(C)c(Cl)c2)C1 | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL3397994 | 116884 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 542 | 8 | 0 | 4 | 5.0 | CC(=O)N1CCCC(C(=O)N(CCCN2CCN(Cc3ccc(F)cc3)CC2C)c2ccc(C)c(Cl)c2)C1 | 10.1016/j.bmc.2014.12.052 | ||
| 11433338 | 68858 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 594 | 10 | 1 | 5 | 7.0 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(OC(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926874 | 68858 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 594 | 10 | 1 | 5 | 7.0 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(OC(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| 52944616 | 18875 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 827 | 13 | 2 | 7 | 6.9 | C=CCN(C(=O)NCc1ccc(C(=O)OC)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288914 | 18875 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 827 | 13 | 2 | 7 | 6.9 | C=CCN(C(=O)NCc1ccc(C(=O)OC)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 3008934 | 197016 | 1 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 467 | 5 | 0 | 3 | 6.2 | Cc1cccc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL58101 | 197016 | 1 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 467 | 5 | 0 | 3 | 6.2 | Cc1cccc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 11693007 | 75908 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 548 | 8 | 1 | 4 | 5.7 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(Nc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL205851 | 75908 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 548 | 8 | 1 | 4 | 5.7 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(Nc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 57331307 | 104111 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 580 | 11 | 0 | 4 | 5.1 | CCN(CCc1ccccc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| CHEMBL3104691 | 104111 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 580 | 11 | 0 | 4 | 5.1 | CCN(CCc1ccccc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| 23577386 | 66040 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 626 | 11 | 3 | 7 | 4.3 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813435 | 66040 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 626 | 11 | 3 | 7 | 4.3 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851672 | 66040 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 626 | 11 | 3 | 7 | 4.3 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 122185617 | 122397 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 498 | 8 | 2 | 2 | 5.6 | Cc1c(CNC(=O)c2ccc(C(C)C)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(C(C)C)cc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3604300 | 122397 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 498 | 8 | 2 | 2 | 5.6 | Cc1c(CNC(=O)c2ccc(C(C)C)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(C(C)C)cc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3606050 | 122397 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 498 | 8 | 2 | 2 | 5.6 | Cc1c(CNC(=O)c2ccc(C(C)C)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(C(C)C)cc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| 52949523 | 18867 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 854 | 13 | 1 | 7 | 8.4 | C=CCN(C(=O)OCc1ccc(OC(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288878 | 18867 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 854 | 13 | 1 | 7 | 8.4 | C=CCN(C(=O)OCc1ccc(OC(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 46225514 | 198143 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 537 | 7 | 0 | 6 | 3.0 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(S(=O)(=O)C4CCCC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL594208 | 198143 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 537 | 7 | 0 | 6 | 3.0 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(S(=O)(=O)C4CCCC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 46225512 | 199915 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 489 | 5 | 0 | 5 | 3.3 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C(C)(C)C)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL605727 | 199915 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 489 | 5 | 0 | 5 | 3.3 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C(C)(C)C)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 126567281 | 164958 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 520 | 8 | 1 | 7 | 5.4 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cscn1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4240742 | 164958 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 520 | 8 | 1 | 7 | 5.4 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cscn1 | 10.1021/acs.jmedchem.8b01077 | ||
| 49864977 | 15615 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 681 | 11 | 3 | 6 | 4.0 | C=CCN(C(=O)NCc1ccc(S(=O)(=O)NC)cc1)[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H]1CN(C(=O)C2CCCC2)C[C@]1(O)c1cccc(F)c1 | 10.1016/j.bmcl.2010.05.046 | ||
| CHEMBL1222777 | 15615 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 681 | 11 | 3 | 6 | 4.0 | C=CCN(C(=O)NCc1ccc(S(=O)(=O)NC)cc1)[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H]1CN(C(=O)C2CCCC2)C[C@]1(O)c1cccc(F)c1 | 10.1016/j.bmcl.2010.05.046 | ||
| 3008909 | 197421 | 1 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 473 | 4 | 1 | 3 | 5.9 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(C(F)(F)F)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL58897 | 197421 | 1 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 473 | 4 | 1 | 3 | 5.9 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(C(F)(F)F)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| 491773 | 12719 | 1 | None | 67 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 455 | 12 | 1 | 3 | 4.8 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL1188399 | 12719 | 1 | None | 67 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 455 | 12 | 1 | 3 | 4.8 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL536288 | 12719 | 1 | None | 67 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 455 | 12 | 1 | 3 | 4.8 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| 11634966 | 12769 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 481 | 11 | 1 | 3 | 5.3 | CCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL1188808 | 12769 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 481 | 11 | 1 | 3 | 5.3 | CCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL537425 | 12769 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 481 | 11 | 1 | 3 | 5.3 | CCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| 491773 | 12719 | 1 | None | 67 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 455 | 12 | 1 | 3 | 4.8 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1188399 | 12719 | 1 | None | 67 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 455 | 12 | 1 | 3 | 4.8 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL536288 | 12719 | 1 | None | 67 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 455 | 12 | 1 | 3 | 4.8 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 90656339 | 110639 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 446 | 7 | 2 | 7 | 3.4 | CC(C)Oc1ccc(N2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.bmcl.2014.03.073 | ||
| CHEMBL3263318 | 110639 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 446 | 7 | 2 | 7 | 3.4 | CC(C)Oc1ccc(N2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.bmcl.2014.03.073 | ||
| 46225515 | 197974 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 551 | 6 | 0 | 5 | 4.1 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL592940 | 197974 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 551 | 6 | 0 | 5 | 4.1 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 46225350 | 199473 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 515 | 7 | 0 | 5 | 3.8 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)CC4CCCC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL603325 | 199473 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 515 | 7 | 0 | 5 | 3.8 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)CC4CCCC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 10280945 | 12731 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 517 | 9 | 1 | 4 | 5.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL1188557 | 12731 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 517 | 9 | 1 | 4 | 5.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL536743 | 12731 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 517 | 9 | 1 | 4 | 5.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| 10280945 | 12731 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 517 | 9 | 1 | 4 | 5.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1188557 | 12731 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 517 | 9 | 1 | 4 | 5.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL536743 | 12731 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 517 | 9 | 1 | 4 | 5.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| 10280945 | 12731 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 517 | 9 | 1 | 4 | 5.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1188557 | 12731 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 517 | 9 | 1 | 4 | 5.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL536743 | 12731 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 517 | 9 | 1 | 4 | 5.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 21064281 | 14216 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 596 | 10 | 2 | 6 | 4.6 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(S(N)(=O)=O)cc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1170877 | 14216 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 596 | 10 | 2 | 6 | 4.6 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(S(N)(=O)=O)cc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200018 | 14216 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 596 | 10 | 2 | 6 | 4.6 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(S(N)(=O)=O)cc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 10280945 | 12731 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 517 | 9 | 1 | 4 | 5.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL1188557 | 12731 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 517 | 9 | 1 | 4 | 5.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL536743 | 12731 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 517 | 9 | 1 | 4 | 5.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| 457871 | 100256 | 1 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 483 | 4 | 1 | 3 | 5.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(Br)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL292625 | 100256 | 1 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 483 | 4 | 1 | 3 | 5.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(Br)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| 3008918 | 197703 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 467 | 5 | 0 | 3 | 6.3 | Cc1ccccc1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL59101 | 197703 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 467 | 5 | 0 | 3 | 6.3 | Cc1ccccc1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 23577370 | 66032 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 549 | 9 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813270 | 66032 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 549 | 9 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851623 | 66032 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 549 | 9 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 73351059 | 92363 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 459 | 8 | 1 | 5 | 5.6 | CCOc1ccc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1ccccc1 | 10.1016/j.ejmech.2013.09.004 | ||
| CHEMBL2436819 | 92363 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 459 | 8 | 1 | 5 | 5.6 | CCOc1ccc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1ccccc1 | 10.1016/j.ejmech.2013.09.004 | ||
| 56678576 | 66295 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 576 | 9 | 3 | 6 | 3.9 | CCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813449 | 66295 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 576 | 9 | 3 | 6 | 3.9 | CCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1852754 | 66295 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 576 | 9 | 3 | 6 | 3.9 | CCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 90656343 | 110643 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 474 | 8 | 1 | 7 | 3.9 | CC(C)Oc1ccc(N2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.bmcl.2014.03.073 | ||
| CHEMBL3263322 | 110643 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 474 | 8 | 1 | 7 | 3.9 | CC(C)Oc1ccc(N2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.bmcl.2014.03.073 | ||
| 3008926 | 200161 | 1 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 492 | 5 | 1 | 3 | 6.5 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2c[nH]c3ccccc23)CC1 | 10.1021/jm031046g | ||
| CHEMBL60711 | 200161 | 1 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 492 | 5 | 1 | 3 | 6.5 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2c[nH]c3ccccc23)CC1 | 10.1021/jm031046g | ||
| 73355550 | 92343 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 445 | 7 | 1 | 5 | 5.2 | COc1ccc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1ccccc1 | 10.1016/j.ejmech.2013.09.004 | ||
| CHEMBL2436720 | 92343 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 445 | 7 | 1 | 5 | 5.2 | COc1ccc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1ccccc1 | 10.1016/j.ejmech.2013.09.004 | ||
| 50993435 | 56903 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 511 | 8 | 1 | 5 | 5.2 | CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CN(Cc1ccccc1)CC3)C2)c1ccccc1 | 10.1021/jm100978n | ||
| CHEMBL1649914 | 56903 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 511 | 8 | 1 | 5 | 5.2 | CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CN(Cc1ccccc1)CC3)C2)c1ccccc1 | 10.1021/jm100978n | ||
| 10272003 | 58571 | 1 | None | -4 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 395 | 2 | 2 | 5 | 3.4 | Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12 | 10.1021/jm1012903 | ||
| CHEMBL1688888 | 58571 | 1 | None | -4 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 395 | 2 | 2 | 5 | 3.4 | Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12 | 10.1021/jm1012903 | ||
| 145983098 | 165184 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 513 | 7 | 1 | 7 | 4.3 | Cc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)NC(=O)N2CCN(C)CC2)s1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4246290 | 165184 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 513 | 7 | 1 | 7 | 4.3 | Cc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)NC(=O)N2CCN(C)CC2)s1 | 10.1021/acs.jmedchem.8b01077 | ||
| 118727189 | 116890 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 542 | 8 | 0 | 4 | 5.0 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccc(F)cc3)C[C@@H]2C)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL3398000 | 116890 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 542 | 8 | 0 | 4 | 5.0 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccc(F)cc3)C[C@@H]2C)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| 57402799 | 68866 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 603 | 9 | 1 | 5 | 7.0 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2cccc(C#N)c2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926884 | 68866 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 603 | 9 | 1 | 5 | 7.0 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2cccc(C#N)c2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| 57397597 | 68868 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 619 | 10 | 1 | 6 | 6.8 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2cccc(C#N)c2)c2ccc(OC(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926886 | 68868 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 619 | 10 | 1 | 6 | 6.8 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2cccc(C#N)c2)c2ccc(OC(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| 10106 | 860 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 519 | 8 | 1 | 6 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccsc1)CCN1[C@@H]2CC[C@H]1C[C@@H](C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.8b01077 | ||
| 91820689 | 860 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 519 | 8 | 1 | 6 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccsc1)CCN1[C@@H]2CC[C@H]1C[C@@H](C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4249798 | 860 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 519 | 8 | 1 | 6 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccsc1)CCN1[C@@H]2CC[C@H]1C[C@@H](C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.8b01077 | ||
| 145985672 | 164840 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 501 | 8 | 1 | 6 | 5.7 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)CC1)c1cccs1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4237964 | 164840 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 501 | 8 | 1 | 6 | 5.7 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)CC1)c1cccs1 | 10.1021/acs.jmedchem.8b01077 | ||
| 49871007 | 58505 | 9 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 559 | 5 | 0 | 6 | 4.8 | CCO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/ml1001536 | ||
| CHEMBL1688243 | 58505 | 9 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 559 | 5 | 0 | 6 | 4.8 | CCO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/ml1001536 | ||
| 49871007 | 58505 | 9 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 559 | 5 | 0 | 6 | 4.8 | CCO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/ml1001536 | ||
| CHEMBL1688243 | 58505 | 9 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 559 | 5 | 0 | 6 | 4.8 | CCO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/ml1001536 | ||
| 50992575 | 56906 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 463 | 7 | 1 | 5 | 4.4 | CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CN(C(C)C)CC3)C2)c1ccccc1 | 10.1021/jm100978n | ||
| CHEMBL1649917 | 56906 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 463 | 7 | 1 | 5 | 4.4 | CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CN(C(C)C)CC3)C2)c1ccccc1 | 10.1021/jm100978n | ||
| 46225533 | 197995 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 590 | 6 | 0 | 4 | 4.9 | Cc1cc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL593080 | 197995 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 590 | 6 | 0 | 4 | 4.9 | Cc1cc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 3008935 | 201041 | 1 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 468 | 5 | 0 | 4 | 5.6 | Cc1ccnc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL61828 | 201041 | 1 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 468 | 5 | 0 | 4 | 5.6 | Cc1ccnc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 3008913 | 101506 | 1 | None | -1 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 495 | 6 | 0 | 3 | 6.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL301454 | 101506 | 1 | None | -1 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 495 | 6 | 0 | 3 | 6.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 3013684 | 76685 | 1 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 547 | 8 | 0 | 3 | 6.1 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL207182 | 76685 | 1 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 547 | 8 | 0 | 3 | 6.1 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 122668190 | 164846 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 469 | 8 | 1 | 6 | 5.4 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCCC1)c1cccs1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4238063 | 164846 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 469 | 8 | 1 | 6 | 5.4 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCCC1)c1cccs1 | 10.1021/acs.jmedchem.8b01077 | ||
| 49798087 | 10723 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 589 | 10 | 2 | 6 | 4.3 | C=CCN(C(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172047 | 10723 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 589 | 10 | 2 | 6 | 4.3 | C=CCN(C(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 52941648 | 18878 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 822 | 12 | 1 | 5 | 8.0 | C=CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288917 | 18878 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 822 | 12 | 1 | 5 | 8.0 | C=CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 3008929 | 193964 | 1 | None | -1 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 498 | 5 | 0 | 4 | 5.2 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL556314 | 193964 | 1 | None | -1 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 498 | 5 | 0 | 4 | 5.2 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 44194587 | 10787 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 636 | 11 | 1 | 6 | 3.5 | C=CCN(C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172626 | 10787 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 636 | 11 | 1 | 6 | 3.5 | C=CCN(C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 73347894 | 92222 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 574 | 9 | 1 | 5 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3cccnc3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435863 | 92222 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 574 | 9 | 1 | 5 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3cccnc3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 3008929 | 193964 | 1 | None | -1 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 498 | 5 | 0 | 4 | 5.2 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL556314 | 193964 | 1 | None | -1 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 498 | 5 | 0 | 4 | 5.2 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 49798129 | 10737 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 529 | 9 | 1 | 4 | 4.2 | C=CCN(C(=O)Cc1ccccc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172157 | 10737 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 529 | 9 | 1 | 4 | 4.2 | C=CCN(C(=O)Cc1ccccc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 16663418 | 10712 | 15 | None | -1 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 590 | 10 | 1 | 7 | 4.7 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172035 | 10712 | 15 | None | -1 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 590 | 10 | 1 | 7 | 4.7 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 53319838 | 58504 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 545 | 4 | 0 | 6 | 4.4 | CO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/ml1001536 | ||
| CHEMBL1688242 | 58504 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 545 | 4 | 0 | 6 | 4.4 | CO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/ml1001536 | ||
| 3008923 | 197221 | 1 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 521 | 5 | 0 | 3 | 7.3 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2c(Cl)cccc2Cl)CC1 | 10.1021/jm031046g | ||
| CHEMBL58441 | 197221 | 1 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 521 | 5 | 0 | 3 | 7.3 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2c(Cl)cccc2Cl)CC1 | 10.1021/jm031046g | ||
| 59458245 | 92225 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 617 | 10 | 2 | 5 | 5.7 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccc(C(=O)O)cc3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435866 | 92225 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 617 | 10 | 2 | 5 | 5.7 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccc(C(=O)O)cc3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 72711508 | 92264 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 539 | 7 | 1 | 4 | 5.6 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)(C)C)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435905 | 92264 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 539 | 7 | 1 | 4 | 5.6 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)(C)C)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 49798133 | 10632 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 563 | 9 | 1 | 4 | 4.9 | C=CCN(C(=O)Cc1ccc(Cl)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1171030 | 10632 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 563 | 9 | 1 | 4 | 4.9 | C=CCN(C(=O)Cc1ccc(Cl)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 52947091 | 18873 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 794 | 12 | 2 | 6 | 7.0 | C=CCN(C(=O)NCc1ccc(C#N)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288912 | 18873 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 794 | 12 | 2 | 6 | 7.0 | C=CCN(C(=O)NCc1ccc(C#N)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 3008924 | 198021 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 503 | 5 | 0 | 3 | 7.1 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2cccc3ccccc23)CC1 | 10.1021/jm031046g | ||
| CHEMBL59328 | 198021 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 503 | 5 | 0 | 3 | 7.1 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2cccc3ccccc23)CC1 | 10.1021/jm031046g | ||
| 3008905 | 197041 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 537 | 6 | 0 | 5 | 5.0 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccc(C#N)cc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL58248 | 197041 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 537 | 6 | 0 | 5 | 5.0 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccc(C#N)cc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 52947091 | 18873 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 794 | 12 | 2 | 6 | 7.0 | C=CCN(C(=O)NCc1ccc(C#N)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288912 | 18873 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 794 | 12 | 2 | 6 | 7.0 | C=CCN(C(=O)NCc1ccc(C#N)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 11585418 | 75658 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 597 | 8 | 0 | 5 | 5.1 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL205539 | 75658 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 597 | 8 | 0 | 5 | 5.1 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 49864977 | 15613 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 681 | 11 | 3 | 6 | 4.0 | C=CCN(C(=O)NCc1ccc(S(=O)(=O)NC)cc1)[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H]1CN(C(=O)C2CCCC2)C[C@]1(O)c1cccc(F)c1 | 10.1016/j.bmcl.2010.05.046 | ||
| CHEMBL1222775 | 15613 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 681 | 11 | 3 | 6 | 4.0 | C=CCN(C(=O)NCc1ccc(S(=O)(=O)NC)cc1)[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H]1CN(C(=O)C2CCCC2)C[C@]1(O)c1cccc(F)c1 | 10.1016/j.bmcl.2010.05.046 | ||
| 118727179 | 116880 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 556 | 7 | 0 | 4 | 4.6 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(C(=O)c3ccc(F)cc3)CC2C)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL3397990 | 116880 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 556 | 7 | 0 | 4 | 4.6 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(C(=O)c3ccc(F)cc3)CC2C)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| 11399408 | 68863 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 622 | 9 | 1 | 4 | 7.5 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2cccc(Cl)c2)c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926880 | 68863 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 622 | 9 | 1 | 4 | 7.5 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2cccc(Cl)c2)c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| 46225528 | 197985 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 619 | 6 | 0 | 5 | 5.1 | Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL592993 | 197985 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 619 | 6 | 0 | 5 | 5.1 | Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 46225526 | 198051 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 523 | 6 | 0 | 5 | 3.3 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL593520 | 198051 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 523 | 6 | 0 | 5 | 3.3 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 49864968 | 15604 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 608 | 10 | 1 | 7 | 4.9 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2010.05.046 | ||
| CHEMBL1222766 | 15604 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 608 | 10 | 1 | 7 | 4.9 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2010.05.046 | ||
| 49864976 | 15612 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 606 | 9 | 2 | 4 | 5.2 | C=CCN(C(=O)NCc1ccc(F)cc1)[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H]1CN(C(=O)C2CCCC2)C[C@]1(O)c1cccc(F)c1 | 10.1016/j.bmcl.2010.05.046 | ||
| CHEMBL1222774 | 15612 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 606 | 9 | 2 | 4 | 5.2 | C=CCN(C(=O)NCc1ccc(F)cc1)[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H]1CN(C(=O)C2CCCC2)C[C@]1(O)c1cccc(F)c1 | 10.1016/j.bmcl.2010.05.046 | ||
| 3008932 | 200959 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 560 | 6 | 0 | 6 | 6.5 | Cc1nc(-c2ccncc2)nc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL61373 | 200959 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 560 | 6 | 0 | 6 | 6.5 | Cc1nc(-c2ccncc2)nc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 118727175 | 116876 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 542 | 8 | 0 | 4 | 5.0 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccccc3F)CC2C)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL3397986 | 116876 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 542 | 8 | 0 | 4 | 5.0 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccccc3F)CC2C)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| 11598797 | 12817 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 481 | 11 | 1 | 3 | 5.3 | CCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL1189134 | 12817 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 481 | 11 | 1 | 3 | 5.3 | CCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL538084 | 12817 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 481 | 11 | 1 | 3 | 5.3 | CCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| 10143882 | 14230 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 511 | 8 | 1 | 4 | 5.4 | CC(C)CC1NC(=O)C2(CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)N(Cc2ccccc2)C1=O | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1171289 | 14230 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 511 | 8 | 1 | 4 | 5.4 | CC(C)CC1NC(=O)C2(CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)N(Cc2ccccc2)C1=O | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200078 | 14230 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 511 | 8 | 1 | 4 | 5.4 | CC(C)CC1NC(=O)C2(CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)N(Cc2ccccc2)C1=O | 10.1016/j.bmc.2010.05.057 | ||
| 505866 | 28212 | 1 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 475 | 7 | 0 | 4 | 4.7 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)N3CCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL137524 | 28212 | 1 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 475 | 7 | 0 | 4 | 4.7 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)N3CCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 505865 | 29066 | 1 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 516 | 8 | 0 | 4 | 6.0 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL138282 | 29066 | 1 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 516 | 8 | 0 | 4 | 6.0 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 505867 | 29489 | 1 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 460 | 8 | 0 | 4 | 4.8 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)C3CCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL138645 | 29489 | 1 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 460 | 8 | 0 | 4 | 4.8 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)C3CCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 72711280 | 92259 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 533 | 8 | 1 | 6 | 4.3 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccccn2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435900 | 92259 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 533 | 8 | 1 | 6 | 4.3 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccccn2)CC1 | 10.1021/jm401101p | ||
| 10205915 | 12696 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 441 | 11 | 1 | 3 | 4.4 | CCCN1C(=O)[C@@H](CC(C)C)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL1188208 | 12696 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 441 | 11 | 1 | 3 | 4.4 | CCCN1C(=O)[C@@H](CC(C)C)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL535616 | 12696 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 441 | 11 | 1 | 3 | 4.4 | CCCN1C(=O)[C@@H](CC(C)C)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| 10116073 | 14289 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 469 | 7 | 1 | 4 | 4.3 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(C(=O)OCc1ccccc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1173708 | 14289 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 469 | 7 | 1 | 4 | 4.3 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(C(=O)OCc1ccccc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200300 | 14289 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 469 | 7 | 1 | 4 | 4.3 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(C(=O)OCc1ccccc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 23577448 | 66294 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 563 | 9 | 3 | 6 | 4.2 | CCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813448 | 66294 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 563 | 9 | 3 | 6 | 4.2 | CCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1852753 | 66294 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 563 | 9 | 3 | 6 | 4.2 | CCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 3001322 | 439 | 19 | None | -75857 | 5 | Rabbit | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| 805 | 439 | 19 | None | -75857 | 5 | Rabbit | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1255794 | 439 | 19 | None | -75857 | 5 | Rabbit | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| DB06497 | 439 | 19 | None | -75857 | 5 | Rabbit | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| 3001322 | 439 | 19 | None | -75857 | 5 | Rat | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| 805 | 439 | 19 | None | -75857 | 5 | Rat | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1255794 | 439 | 19 | None | -75857 | 5 | Rat | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| DB06497 | 439 | 19 | None | -75857 | 5 | Rat | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| 122185615 | 122396 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 526 | 6 | 2 | 2 | 6.0 | Cc1c(CNC(=O)c2ccc(C(C)(C)C)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(C(C)(C)C)cc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3604299 | 122396 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 526 | 6 | 2 | 2 | 6.0 | Cc1c(CNC(=O)c2ccc(C(C)(C)C)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(C(C)(C)C)cc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3606049 | 122396 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 526 | 6 | 2 | 2 | 6.0 | Cc1c(CNC(=O)c2ccc(C(C)(C)C)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(C(C)(C)C)cc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| 3008925 | 100447 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 492 | 5 | 1 | 3 | 6.5 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2cccc3[nH]ccc23)CC1 | 10.1021/jm031046g | ||
| CHEMBL293900 | 100447 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 492 | 5 | 1 | 3 | 6.5 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2cccc3[nH]ccc23)CC1 | 10.1021/jm031046g | ||
| 3008931 | 200960 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 559 | 6 | 0 | 5 | 7.1 | Cc1nc(-c2ccccc2)nc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL61374 | 200960 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 559 | 6 | 0 | 5 | 7.1 | Cc1nc(-c2ccccc2)nc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 71451541 | 81368 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 569 | 10 | 1 | 6 | 4.9 | Cc1ccncc1CN(C(=O)CC1CCOCC1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 | 10.1021/ml2002604 | ||
| CHEMBL2164214 | 81368 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 569 | 10 | 1 | 6 | 4.9 | Cc1ccncc1CN(C(=O)CC1CCOCC1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1 | 10.1021/ml2002604 | ||
| 168286382 | 191137 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 570 | 10 | 2 | 8 | 4.4 | CNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCN2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)c2cccs2)c1 | 10.1021/acs.jmedchem.2c01383 | ||
| CHEMBL5197247 | 191137 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 570 | 10 | 2 | 8 | 4.4 | CNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCN2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)c2cccs2)c1 | 10.1021/acs.jmedchem.2c01383 | ||
| 46225513 | 199724 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 505 | 7 | 1 | 6 | 2.3 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C(C)(C)CO)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL604680 | 199724 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 505 | 7 | 1 | 6 | 2.3 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C(C)(C)CO)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 52943425 | 18876 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 812 | 13 | 3 | 6 | 6.2 | C=CCN(C(=O)NCc1ccc(C(N)=O)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288915 | 18876 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 812 | 13 | 3 | 6 | 6.2 | C=CCN(C(=O)NCc1ccc(C(N)=O)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 49864967 | 15603 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 620 | 11 | 1 | 8 | 4.7 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2cccc(OC)c2)CC1 | 10.1016/j.bmcl.2010.05.046 | ||
| CHEMBL1222765 | 15603 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 620 | 11 | 1 | 8 | 4.7 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2cccc(OC)c2)CC1 | 10.1016/j.bmcl.2010.05.046 | ||
| 118727177 | 116878 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 494 | 8 | 0 | 4 | 4.0 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccc(F)cc3)CC2C)c2ccccc2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL3397988 | 116878 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 494 | 8 | 0 | 4 | 4.0 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccc(F)cc3)CC2C)c2ccccc2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| 72711049 | 92253 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 557 | 8 | 1 | 6 | 4.8 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(C#N)c2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435894 | 92253 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 557 | 8 | 1 | 6 | 4.8 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(C#N)c2)CC1 | 10.1021/jm401101p | ||
| 49798920 | 14227 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 423 | 6 | 1 | 5 | 2.4 | COCC1NC(=O)C2(CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)N(C)C1=O | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1171103 | 14227 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 423 | 6 | 1 | 5 | 2.4 | COCC1NC(=O)C2(CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)N(C)C1=O | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200062 | 14227 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 423 | 6 | 1 | 5 | 2.4 | COCC1NC(=O)C2(CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)N(C)C1=O | 10.1016/j.bmc.2010.05.057 | ||
| 57331277 | 104100 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 584 | 10 | 0 | 4 | 5.2 | CCN(Cc1ccc(F)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| CHEMBL3104678 | 104100 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 584 | 10 | 0 | 4 | 5.2 | CCN(Cc1ccc(F)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| 10204589 | 12933 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 419 | 6 | 1 | 3 | 3.6 | CC(C)C[C@@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O | 10.1021/jm060051s | ||
| CHEMBL1189988 | 12933 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 419 | 6 | 1 | 3 | 3.6 | CC(C)C[C@@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O | 10.1021/jm060051s | ||
| CHEMBL539854 | 12933 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 419 | 6 | 1 | 3 | 3.6 | CC(C)C[C@@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O | 10.1021/jm060051s | ||
| 56681915 | 66084 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 591 | 10 | 3 | 6 | 5.0 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813440 | 66084 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 591 | 10 | 3 | 6 | 5.0 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851889 | 66084 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 591 | 10 | 3 | 6 | 5.0 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 72714317 | 92246 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 546 | 8 | 1 | 5 | 5.2 | Cc1ccccc1C1CN(C2CCCCC2)C(=O)N1C1CCN(C(C)CCNC(=O)c2c(C)ncnc2C)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435887 | 92246 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 546 | 8 | 1 | 5 | 5.2 | Cc1ccccc1C1CN(C2CCCCC2)C(=O)N1C1CCN(C(C)CCNC(=O)c2c(C)ncnc2C)CC1 | 10.1021/jm401101p | ||
| 122668167 | 165321 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 523 | 9 | 1 | 6 | 5.9 | Cc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)NC(=O)Cc2ccc(F)cc2)s1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4249259 | 165321 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 523 | 9 | 1 | 6 | 5.9 | Cc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)NC(=O)Cc2ccc(F)cc2)s1 | 10.1021/acs.jmedchem.8b01077 | ||
| 16659334 | 13891 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@@H]([C@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL1197042 | 13891 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@@H]([C@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL559168 | 13891 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@@H]([C@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| 21064295 | 14214 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 574 | 10 | 2 | 5 | 5.3 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1170875 | 14214 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 574 | 10 | 2 | 5 | 5.3 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200016 | 14214 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 574 | 10 | 2 | 5 | 5.3 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 505870 | 27420 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 500 | 8 | 0 | 4 | 5.6 | O=C(C1CCCCC1)N1C[C@H](CN2CCC(N(CC3CC3)c3ccccn3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL136977 | 27420 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 500 | 8 | 0 | 4 | 5.6 | O=C(C1CCCCC1)N1C[C@H](CN2CCC(N(CC3CC3)c3ccccn3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00988-5 | ||
| 505880 | 27514 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 519 | 10 | 1 | 6 | 4.9 | CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL137038 | 27514 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 519 | 10 | 1 | 6 | 4.9 | CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 505879 | 28435 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 518 | 10 | 1 | 5 | 5.5 | CCCN(c1cccnc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL137728 | 28435 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 518 | 10 | 1 | 5 | 5.5 | CCCN(c1cccnc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 505881 | 29238 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 537 | 10 | 1 | 6 | 5.0 | CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL138437 | 29238 | 1 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 537 | 10 | 1 | 6 | 5.0 | CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 44357063 | 118639 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 523 | 11 | 1 | 6 | 4.7 | CCCN(c1ccncn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL342842 | 118639 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 523 | 11 | 1 | 6 | 4.7 | CCCN(c1ccncn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 44357079 | 118836 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 541 | 11 | 1 | 6 | 4.8 | CCCN(c1ncc(F)cn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL344261 | 118836 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 541 | 11 | 1 | 6 | 4.8 | CCCN(c1ncc(F)cn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 118727185 | 116886 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 604 | 9 | 0 | 4 | 6.3 | Cc1ccc(N(CCCN2CCN(Cc3ccc(F)cc3)CC2C)C(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1Cl | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL3397996 | 116886 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 604 | 9 | 0 | 4 | 6.3 | Cc1ccc(N(CCCN2CCN(Cc3ccc(F)cc3)CC2C)C(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1Cl | 10.1016/j.bmc.2014.12.052 | ||
| 10118535 | 14206 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 477 | 8 | 1 | 4 | 4.8 | CC(C)CC1NC(=O)C2(CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)N(CC(C)C)C1=O | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1170471 | 14206 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 477 | 8 | 1 | 4 | 4.8 | CC(C)CC1NC(=O)C2(CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)N(CC(C)C)C1=O | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1199972 | 14206 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 477 | 8 | 1 | 4 | 4.8 | CC(C)CC1NC(=O)C2(CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)N(CC(C)C)C1=O | 10.1016/j.bmc.2010.05.057 | ||
| 23577409 | 66085 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 563 | 10 | 3 | 6 | 4.2 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813439 | 66085 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 563 | 10 | 3 | 6 | 4.2 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851891 | 66085 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 563 | 10 | 3 | 6 | 4.2 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 23577328 | 66101 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 592 | 10 | 3 | 7 | 3.1 | CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)C(=O)N[C@H]([C@H](O)C3CCCCC3)C(=O)N4CCOC)cc2)cc1 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813454 | 66101 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 592 | 10 | 3 | 7 | 3.1 | CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)C(=O)N[C@H]([C@H](O)C3CCCCC3)C(=O)N4CCOC)cc2)cc1 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851967 | 66101 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 592 | 10 | 3 | 7 | 3.1 | CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)C(=O)N[C@H]([C@H](O)C3CCCCC3)C(=O)N4CCOC)cc2)cc1 | 10.1016/j.bmc.2011.05.022 | ||
| 46225345 | 198356 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 549 | 6 | 0 | 5 | 4.6 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)CC(C)(C)C)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL595559 | 198356 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 549 | 6 | 0 | 5 | 4.6 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)CC(C)(C)C)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 11192476 | 68856 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 578 | 9 | 1 | 4 | 7.1 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926872 | 68856 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 578 | 9 | 1 | 4 | 7.1 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| 52947090 | 18870 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 773 | 11 | 2 | 5 | 7.6 | C=CCN(C(=O)Nc1ccc(F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288909 | 18870 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 773 | 11 | 2 | 5 | 7.6 | C=CCN(C(=O)Nc1ccc(F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 3001322 | 439 | 19 | None | -363 | 5 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmcl.2010.12.109 | ||
| 805 | 439 | 19 | None | -363 | 5 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1255794 | 439 | 19 | None | -363 | 5 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmcl.2010.12.109 | ||
| DB06497 | 439 | 19 | None | -363 | 5 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmcl.2010.12.109 | ||
| 11597 | 667 | 3 | None | -11 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00373 | ||
| 23725180 | 667 | 3 | None | -11 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00373 | ||
| CHEMBL4781426 | 667 | 3 | None | -11 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00373 | ||
| 3001322 | 439 | 19 | None | -363 | 5 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| 805 | 439 | 19 | None | -363 | 5 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1255794 | 439 | 19 | None | -363 | 5 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| DB06497 | 439 | 19 | None | -363 | 5 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| 23577388 | 66046 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 611 | 10 | 2 | 7 | 4.3 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(S(C)(=O)=O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813434 | 66046 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 611 | 10 | 2 | 7 | 4.3 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(S(C)(=O)=O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851692 | 66046 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 611 | 10 | 2 | 7 | 4.3 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(S(C)(=O)=O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 52943424 | 18874 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 833 | 12 | 2 | 7 | 6.8 | C=CCN(C(=O)Nc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288913 | 18874 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 833 | 12 | 2 | 7 | 6.8 | C=CCN(C(=O)Nc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 21926130 | 14269 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 519 | 8 | 1 | 5 | 4.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1c(C)nn(-c3ccccc3)c1C)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200253 | 14269 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 519 | 8 | 1 | 5 | 4.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1c(C)nn(-c3ccccc3)c1C)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL3216711 | 14269 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 519 | 8 | 1 | 5 | 4.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1c(C)nn(-c3ccccc3)c1C)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 57331276 | 104105 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 556 | 9 | 1 | 4 | 4.5 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(C(=O)NCc3ccc(F)cc3)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| CHEMBL3104683 | 104105 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 556 | 9 | 1 | 4 | 4.5 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(C(=O)NCc3ccc(F)cc3)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| 3008905 | 197041 | 1 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 537 | 6 | 0 | 5 | 5.0 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccc(C#N)cc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL58248 | 197041 | 1 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 537 | 6 | 0 | 5 | 5.0 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccc(C#N)cc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 23577362 | 66044 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 612 | 10 | 3 | 7 | 3.5 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(S(N)(=O)=O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813433 | 66044 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 612 | 10 | 3 | 7 | 3.5 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(S(N)(=O)=O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851690 | 66044 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 612 | 10 | 3 | 7 | 3.5 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(S(N)(=O)=O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 56678578 | 66070 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 618 | 12 | 3 | 6 | 5.0 | CCCCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813451 | 66070 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 618 | 12 | 3 | 6 | 5.0 | CCCCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851823 | 66070 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 618 | 12 | 3 | 6 | 5.0 | CCCCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 46225429 | 198402 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 527 | 5 | 0 | 5 | 4.2 | Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CCN(C(=O)C(C)(C)C)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL595902 | 198402 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 527 | 5 | 0 | 5 | 4.2 | Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CCN(C(=O)C(C)(C)C)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 46225348 | 198488 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 515 | 6 | 0 | 5 | 3.8 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CCN(C(=O)C4CCCC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL596519 | 198488 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 515 | 6 | 0 | 5 | 3.8 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CCN(C(=O)C4CCCC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 46225347 | 198361 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 559 | 5 | 0 | 5 | 4.7 | Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)C)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL595584 | 198361 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 559 | 5 | 0 | 5 | 4.7 | Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)C)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 44356876 | 27833 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 554 | 8 | 0 | 4 | 6.4 | C=CCN(c1ccc(C(F)(F)F)cn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL137272 | 27833 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 554 | 8 | 0 | 4 | 6.4 | C=CCN(c1ccc(C(F)(F)F)cn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 44129650 | 10716 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 623 | 10 | 1 | 7 | 4.2 | C=CCN(C(=O)OCc1ccc(S(C)(=O)=O)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172040 | 10716 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 623 | 10 | 1 | 7 | 4.2 | C=CCN(C(=O)OCc1ccc(S(C)(=O)=O)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 49798084 | 10707 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 544 | 9 | 2 | 4 | 4.4 | C=CCN(C(=O)NCc1ccccc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1171966 | 10707 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 544 | 9 | 2 | 4 | 4.4 | C=CCN(C(=O)NCc1ccccc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 56676455 | 66118 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 456 | 18 | 0 | 0 | 9.7 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL1817916 | 66118 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 456 | 18 | 0 | 0 | 9.7 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL1852060 | 66118 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 456 | 18 | 0 | 0 | 9.7 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL2057819 | 66118 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 456 | 18 | 0 | 0 | 9.7 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| 56676455 | 66118 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 456 | 18 | 0 | 0 | 9.7 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL1817916 | 66118 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 456 | 18 | 0 | 0 | 9.7 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL1852060 | 66118 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 456 | 18 | 0 | 0 | 9.7 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL2057819 | 66118 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 456 | 18 | 0 | 0 | 9.7 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| 46225530 | 197986 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 550 | 6 | 0 | 4 | 4.7 | Cc1ccnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL592997 | 197986 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 550 | 6 | 0 | 4 | 4.7 | Cc1ccnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 46225527 | 198012 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 571 | 6 | 0 | 6 | 3.3 | Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCOC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL593184 | 198012 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 571 | 6 | 0 | 6 | 3.3 | Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCOC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 49864970 | 15606 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 630 | 9 | 2 | 4 | 5.5 | C=CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2010.05.046 | ||
| CHEMBL1222768 | 15606 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 630 | 9 | 2 | 4 | 5.5 | C=CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2010.05.046 | ||
| 11947758 | 59804 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1668021 | 59804 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1739499 | 59804 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| 23577382 | 66105 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 590 | 10 | 3 | 6 | 4.2 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813432 | 66105 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 590 | 10 | 3 | 6 | 4.2 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851977 | 66105 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 590 | 10 | 3 | 6 | 4.2 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 122185619 | 122398 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 570 | 6 | 2 | 2 | 4.9 | Cc1c(CNC(=O)c2ccc(Br)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(Br)cc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3604301 | 122398 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 570 | 6 | 2 | 2 | 4.9 | Cc1c(CNC(=O)c2ccc(Br)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(Br)cc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3606051 | 122398 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 570 | 6 | 2 | 2 | 4.9 | Cc1c(CNC(=O)c2ccc(Br)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(Br)cc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| 57392302 | 68864 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 618 | 10 | 1 | 5 | 6.8 | COc1cccc(CN(c2ccc(Br)cc2)C2CCN(C(C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)c1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926882 | 68864 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 618 | 10 | 1 | 5 | 6.8 | COc1cccc(CN(c2ccc(Br)cc2)C2CCN(C(C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)c1 | 10.1016/j.bmcl.2011.09.133 | ||
| 73355553 | 92360 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 417 | 6 | 2 | 6 | 3.7 | COc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.ejmech.2013.09.004 | ||
| CHEMBL2436816 | 92360 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 417 | 6 | 2 | 6 | 3.7 | COc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.ejmech.2013.09.004 | ||
| 56681917 | 66103 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 604 | 11 | 3 | 6 | 4.6 | CCCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813450 | 66103 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 604 | 11 | 3 | 6 | 4.6 | CCCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851972 | 66103 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 604 | 11 | 3 | 6 | 4.6 | CCCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 23577360 | 66041 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 576 | 10 | 3 | 6 | 4.0 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(N)=O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813271 | 66041 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 576 | 10 | 3 | 6 | 4.0 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(N)=O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851675 | 66041 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 576 | 10 | 3 | 6 | 4.0 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(N)=O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 162659856 | 180656 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 914 | 27 | 5 | 11 | 5.6 | CNC(=O)COCC(=O)NCCCCCCCCCNC(=O)COCC(=O)Nc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)cc1 | 10.1016/j.bmc.2016.09.059 | ||
| CHEMBL4761614 | 180656 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 914 | 27 | 5 | 11 | 5.6 | CNC(=O)COCC(=O)NCCCCCCCCCNC(=O)COCC(=O)Nc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)cc1 | 10.1016/j.bmc.2016.09.059 | ||
| 162658125 | 180514 | 0 | None | -100 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4760108 | 180514 | 0 | None | -100 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 162666730 | 181692 | 0 | None | -562 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4783861 | 181692 | 0 | None | -562 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 145984591 | 165368 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 587 | 8 | 1 | 6 | 7.0 | Cc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C(C)C)nnc2C(F)(F)F)C3)NC(=O)C2CCC(F)(F)CC2)s1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4250366 | 165368 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 587 | 8 | 1 | 6 | 7.0 | Cc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C(C)C)nnc2C(F)(F)F)C3)NC(=O)C2CCC(F)(F)CC2)s1 | 10.1021/acs.jmedchem.8b01077 | ||
| 49798158 | 10784 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 607 | 10 | 1 | 6 | 3.6 | C=CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172623 | 10784 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 607 | 10 | 1 | 6 | 3.6 | C=CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 11585625 | 76731 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 648 | 10 | 1 | 6 | 4.0 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL207447 | 76731 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 648 | 10 | 1 | 6 | 4.0 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 72712598 | 92207 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 591 | 5 | 0 | 4 | 6.6 | Cc1cc(Cl)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435848 | 92207 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 591 | 5 | 0 | 4 | 6.6 | Cc1cc(Cl)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1021/jm401101p | ||
| 50992246 | 58163 | 2 | None | -1 | 5 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683074 | 58163 | 2 | None | -1 | 5 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 168276745 | 190004 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 503 | 8 | 1 | 6 | 6.0 | Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCCC1)c1ccsc1Cl | 10.1021/acs.jmedchem.2c01383 | ||
| CHEMBL5180628 | 190004 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 503 | 8 | 1 | 6 | 6.0 | Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCCC1)c1ccsc1Cl | 10.1021/acs.jmedchem.2c01383 | ||
| 72714076 | 92242 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 532 | 8 | 1 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435883 | 92242 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 532 | 8 | 1 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 52943390 | 18866 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 795 | 12 | 1 | 7 | 7.4 | C=CCN(C(=O)OCc1ccc(C#N)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288877 | 18866 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 795 | 12 | 1 | 7 | 7.4 | C=CCN(C(=O)OCc1ccc(C#N)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 52943389 | 18865 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 848 | 13 | 1 | 8 | 7.0 | C=CCN(C(=O)OCc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288876 | 18865 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 848 | 13 | 1 | 8 | 7.0 | C=CCN(C(=O)OCc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 145986145 | 164937 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 573 | 8 | 1 | 6 | 6.7 | CC(C)c1nnc(C(F)(F)F)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccs1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4240242 | 164937 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 573 | 8 | 1 | 6 | 6.7 | CC(C)c1nnc(C(F)(F)F)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccs1 | 10.1021/acs.jmedchem.8b01077 | ||
| 72711277 | 92256 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 560 | 8 | 1 | 5 | 5.5 | Cc1cc(C)cc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 | 10.1021/jm401101p | ||
| CHEMBL2435897 | 92256 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 560 | 8 | 1 | 5 | 5.5 | Cc1cc(C)cc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 | 10.1021/jm401101p | ||
| 44511861 | 68877 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 549 | 10 | 1 | 6 | 5.7 | COc1ccc(N(Cc2cnccc2C)C2CCN([C@@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926895 | 68877 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 549 | 10 | 1 | 6 | 5.7 | COc1ccc(N(Cc2cnccc2C)C2CCN([C@@H](C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| 52944586 | 18862 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 838 | 12 | 1 | 6 | 8.6 | C=CCN(C(=O)OCc1ccc(C(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288873 | 18862 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 838 | 12 | 1 | 6 | 8.6 | C=CCN(C(=O)OCc1ccc(C(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 21064299 | 14215 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 610 | 11 | 2 | 6 | 5.3 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1170876 | 14215 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 610 | 11 | 2 | 6 | 5.3 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200017 | 14215 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 610 | 11 | 2 | 6 | 5.3 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 168275071 | 189856 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 534 | 9 | 2 | 7 | 5.5 | CC(=O)Nc1cccc(C(=O)N[C@@H](CCN2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)c2cccs2)c1 | 10.1021/acs.jmedchem.2c01383 | ||
| CHEMBL5178495 | 189856 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 534 | 9 | 2 | 7 | 5.5 | CC(=O)Nc1cccc(C(=O)N[C@@H](CCN2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)c2cccs2)c1 | 10.1021/acs.jmedchem.2c01383 | ||
| 70685193 | 72777 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 410 | 6 | 0 | 4 | 5.6 | Cc1nc2cnccc2n1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00180 | ||
| CHEMBL2011438 | 72777 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 410 | 6 | 0 | 4 | 5.6 | Cc1nc2cnccc2n1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00180 | ||
| 9956238 | 59882 | 1 | None | -3 | 4 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
| CHEMBL1688889 | 59882 | 1 | None | -3 | 4 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
| CHEMBL1739922 | 59882 | 1 | None | -3 | 4 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
| 10208679 | 12733 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@H]([C@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL1188565 | 12733 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@H]([C@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL536751 | 12733 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@H]([C@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| 3008921 | 167669 | 1 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 459 | 5 | 0 | 3 | 6.3 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)C2CCCCC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL433635 | 167669 | 1 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 459 | 5 | 0 | 3 | 6.3 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)C2CCCCC2)CC1 | 10.1021/jm031046g | ||
| 52940989 | 18864 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 828 | 13 | 1 | 8 | 7.3 | C=CCN(C(=O)OCc1ccc(C(=O)OC)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288875 | 18864 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 828 | 13 | 1 | 8 | 7.3 | C=CCN(C(=O)OCc1ccc(C(=O)OC)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 3008933 | 199946 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 531 | 6 | 0 | 4 | 6.5 | Cc1cc(C)c(S(=O)(=O)N2CCC(C)(N3CCC(N(c4ccccc4)c4ccccc4)CC3)CC2)c(C)c1 | 10.1021/jm031046g | ||
| CHEMBL60589 | 199946 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 531 | 6 | 0 | 4 | 6.5 | Cc1cc(C)c(S(=O)(=O)N2CCC(C)(N3CCC(N(c4ccccc4)c4ccccc4)CC3)CC2)c(C)c1 | 10.1021/jm031046g | ||
| 90656335 | 110583 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 475 | 8 | 2 | 7 | 3.5 | CC(C)Oc1ccc(N2CCN(Cc3ccc(C(=O)O)cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.bmcl.2014.03.073 | ||
| CHEMBL3263031 | 110583 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 475 | 8 | 2 | 7 | 3.5 | CC(C)Oc1ccc(N2CCN(Cc3ccc(C(=O)O)cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.bmcl.2014.03.073 | ||
| 52944587 | 18869 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 837 | 12 | 2 | 5 | 8.1 | C=CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288880 | 18869 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 837 | 12 | 2 | 5 | 8.1 | C=CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 49799711 | 14292 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 533 | 9 | 2 | 5 | 5.6 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(O)cc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1173712 | 14292 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 533 | 9 | 2 | 5 | 5.6 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(O)cc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200303 | 14292 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 533 | 9 | 2 | 5 | 5.6 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(O)cc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 46226128 | 13999 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 547 | 10 | 2 | 5 | 5.7 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(O)cc3)c1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL1198003 | 13999 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 547 | 10 | 2 | 5 | 5.7 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(O)cc3)c1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL592944 | 13999 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 547 | 10 | 2 | 5 | 5.7 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(O)cc3)c1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| 3008922 | 197031 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 513 | 7 | 0 | 5 | 6.0 | COc1cccc(OC)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL58176 | 197031 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 513 | 7 | 0 | 5 | 6.0 | COc1cccc(OC)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 52942223 | 18883 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 810 | 14 | 1 | 6 | 7.1 | C=CCN(C(=O)CCc1ccc(OC(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288922 | 18883 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 810 | 14 | 1 | 6 | 7.1 | C=CCN(C(=O)CCc1ccc(OC(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 3008912 | 199387 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 458 | 4 | 1 | 4 | 5.4 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc4ccn(C)c4c3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL60279 | 199387 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 458 | 4 | 1 | 4 | 5.4 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc4ccn(C)c4c3)CC2)CC1 | 10.1021/jm031046g | ||
| 72712371 | 92230 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 494 | 6 | 0 | 3 | 6.5 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3ccncc3)cc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435871 | 92230 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 494 | 6 | 0 | 3 | 6.5 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3ccncc3)cc2)CC1 | 10.1021/jm401101p | ||
| 10278617 | 94739 | 2 | None | 1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL255858 | 94739 | 2 | None | 1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 72712372 | 92231 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 499 | 6 | 0 | 6 | 4.7 | Cn1nnc(-c2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)n1 | 10.1021/jm401101p | ||
| CHEMBL2435872 | 92231 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 499 | 6 | 0 | 6 | 4.7 | Cn1nnc(-c2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)n1 | 10.1021/jm401101p | ||
| 73355554 | 92367 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 431 | 7 | 2 | 6 | 4.1 | CCOc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.ejmech.2013.09.004 | ||
| CHEMBL2436824 | 92367 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 431 | 7 | 2 | 6 | 4.1 | CCOc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.ejmech.2013.09.004 | ||
| 53324598 | 59796 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@@H]([C@@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1668020 | 59796 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@@H]([C@@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1739382 | 59796 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@@H]([C@@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| 5275761 | 76765 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 609 | 10 | 1 | 5 | 5.0 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C(=O)O)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL207633 | 76765 | 1 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 609 | 10 | 1 | 5 | 5.0 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C(=O)O)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 53324598 | 59796 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@@H]([C@@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1668020 | 59796 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@@H]([C@@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1739382 | 59796 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@@H]([C@@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 6320546 | 59807 | 1 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H]([C@@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1668022 | 59807 | 1 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H]([C@@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1739500 | 59807 | 1 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H]([C@@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| 168295761 | 191863 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 497 | 9 | 1 | 10 | 3.2 | Cc1ccc([C@H](CCN2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)NC(=O)Cn2cnnn2)s1 | 10.1021/acs.jmedchem.2c01383 | ||
| CHEMBL5208613 | 191863 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 497 | 9 | 1 | 10 | 3.2 | Cc1ccc([C@H](CCN2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)NC(=O)Cn2cnnn2)s1 | 10.1021/acs.jmedchem.2c01383 | ||
| 21064338 | 14285 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 506 | 8 | 1 | 5 | 5.1 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1nc(-c3ccccc3)oc1C)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1173645 | 14285 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 506 | 8 | 1 | 5 | 5.1 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1nc(-c3ccccc3)oc1C)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200293 | 14285 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 506 | 8 | 1 | 5 | 5.1 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1nc(-c3ccccc3)oc1C)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 44356952 | 118771 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 591 | 11 | 1 | 6 | 5.7 | CCCN(c1nccc(C(F)(F)F)n1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL343745 | 118771 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 591 | 11 | 1 | 6 | 5.7 | CCCN(c1nccc(C(F)(F)F)n1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 73349498 | 92335 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 473 | 8 | 1 | 5 | 6.0 | CC(C)Oc1ccc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1ccccc1 | 10.1016/j.ejmech.2013.09.004 | ||
| CHEMBL2436712 | 92335 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 473 | 8 | 1 | 5 | 6.0 | CC(C)Oc1ccc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1ccccc1 | 10.1016/j.ejmech.2013.09.004 | ||
| 3008919 | 100298 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 453 | 5 | 0 | 3 | 6.0 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm031046g | ||
| CHEMBL292894 | 100298 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 453 | 5 | 0 | 3 | 6.0 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm031046g | ||
| 46225514 | 198143 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 537 | 7 | 0 | 6 | 3.0 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(S(=O)(=O)C4CCCC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL594208 | 198143 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 537 | 7 | 0 | 6 | 3.0 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(S(=O)(=O)C4CCCC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 90656337 | 110584 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 509 | 8 | 1 | 8 | 3.2 | CC(C)Oc1ccc(N2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.bmcl.2014.03.073 | ||
| CHEMBL3263033 | 110584 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 509 | 8 | 1 | 8 | 3.2 | CC(C)Oc1ccc(N2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.bmcl.2014.03.073 | ||
| 90656338 | 110585 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 445 | 7 | 1 | 6 | 4.1 | Cc1ccc(CN2CCN(c3ccc(OC(C)C)c(NC(=O)c4cnccn4)c3)CC2)cc1 | 10.1016/j.bmcl.2014.03.073 | ||
| CHEMBL3263034 | 110585 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 445 | 7 | 1 | 6 | 4.1 | Cc1ccc(CN2CCN(c3ccc(OC(C)C)c(NC(=O)c4cnccn4)c3)CC2)cc1 | 10.1016/j.bmcl.2014.03.073 | ||
| 52944086 | 18871 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 787 | 12 | 2 | 5 | 7.3 | C=CCN(C(=O)NCc1ccc(F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288910 | 18871 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 787 | 12 | 2 | 5 | 7.3 | C=CCN(C(=O)NCc1ccc(F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 46225349 | 198367 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 539 | 6 | 0 | 5 | 4.3 | Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CCN(C(=O)C4CCCC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL595610 | 198367 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 539 | 6 | 0 | 5 | 4.3 | Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CCN(C(=O)C4CCCC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 3001322 | 439 | 19 | None | -363 | 5 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| 805 | 439 | 19 | None | -363 | 5 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1255794 | 439 | 19 | None | -363 | 5 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| DB06497 | 439 | 19 | None | -363 | 5 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| 3008910 | 197951 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 481 | 5 | 1 | 3 | 6.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(-c4ccccc4)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL59285 | 197951 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 481 | 5 | 1 | 3 | 6.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(-c4ccccc4)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| 53389083 | 66113 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 438 | 16 | 0 | 0 | 9.5 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL1817912 | 66113 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 438 | 16 | 0 | 0 | 9.5 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL1852020 | 66113 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 438 | 16 | 0 | 0 | 9.5 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL2057816 | 66113 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 438 | 16 | 0 | 0 | 9.5 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| 53389083 | 66113 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 438 | 16 | 0 | 0 | 9.5 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL1817912 | 66113 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 438 | 16 | 0 | 0 | 9.5 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL1852020 | 66113 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 438 | 16 | 0 | 0 | 9.5 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL2057816 | 66113 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 438 | 16 | 0 | 0 | 9.5 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| 56661530 | 66104 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 616 | 8 | 3 | 6 | 4.0 | CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)C(=O)N[C@H]([C@H](O)C3CCCCC3)C(=O)N4CC(F)(F)F)cc2)cc1 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813457 | 66104 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 616 | 8 | 3 | 6 | 4.0 | CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)C(=O)N[C@H]([C@H](O)C3CCCCC3)C(=O)N4CC(F)(F)F)cc2)cc1 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851975 | 66104 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 616 | 8 | 3 | 6 | 4.0 | CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)C(=O)N[C@H]([C@H](O)C3CCCCC3)C(=O)N4CC(F)(F)F)cc2)cc1 | 10.1016/j.bmc.2011.05.022 | ||
| 122185621 | 122399 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 482 | 6 | 2 | 2 | 4.7 | Cc1c(CNC(=O)c2ccc(Cl)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(Cl)cc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3604302 | 122399 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 482 | 6 | 2 | 2 | 4.7 | Cc1c(CNC(=O)c2ccc(Cl)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(Cl)cc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3606052 | 122399 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 482 | 6 | 2 | 2 | 4.7 | Cc1c(CNC(=O)c2ccc(Cl)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(Cl)cc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| 11947758 | 59804 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1668021 | 59804 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1739499 | 59804 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| 73346462 | 92368 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 473 | 8 | 2 | 6 | 4.5 | CCOc1ccc(C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.ejmech.2013.09.004 | ||
| CHEMBL2436825 | 92368 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 473 | 8 | 2 | 6 | 4.5 | CCOc1ccc(C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.ejmech.2013.09.004 | ||
| 57331308 | 104102 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 591 | 10 | 0 | 5 | 5.0 | CCN(Cc1ccc(C#N)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| CHEMBL3104680 | 104102 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 591 | 10 | 0 | 5 | 5.0 | CCN(Cc1ccc(C#N)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| 3008926 | 200161 | 1 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 492 | 5 | 1 | 3 | 6.5 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2c[nH]c3ccccc23)CC1 | 10.1021/jm031046g | ||
| CHEMBL60711 | 200161 | 1 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 492 | 5 | 1 | 3 | 6.5 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2c[nH]c3ccccc23)CC1 | 10.1021/jm031046g | ||
| 3008937 | 198416 | 1 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 469 | 5 | 0 | 5 | 5.0 | Cc1ncnc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL59602 | 198416 | 1 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 469 | 5 | 0 | 5 | 5.0 | Cc1ncnc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 15942352 | 81358 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 505 | 8 | 1 | 5 | 4.6 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)N(C)C)CC1 | 10.1021/ml2002604 | ||
| CHEMBL2164204 | 81358 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 505 | 8 | 1 | 5 | 4.6 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)N(C)C)CC1 | 10.1021/ml2002604 | ||
| 86294766 | 110192 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 502 | 10 | 1 | 7 | 4.7 | CCN(CC)c1ccc(CN2CCN(c3ccc(OC(C)C)c(NC(=O)c4cnccn4)c3)CC2)cc1 | 10.1016/j.bmcl.2014.03.073 | ||
| CHEMBL3259855 | 110192 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 502 | 10 | 1 | 7 | 4.7 | CCN(CC)c1ccc(CN2CCN(c3ccc(OC(C)C)c(NC(=O)c4cnccn4)c3)CC2)cc1 | 10.1016/j.bmcl.2014.03.073 | ||
| 23577362 | 66044 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 612 | 10 | 3 | 7 | 3.5 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(S(N)(=O)=O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813433 | 66044 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 612 | 10 | 3 | 7 | 3.5 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(S(N)(=O)=O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851690 | 66044 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 612 | 10 | 3 | 7 | 3.5 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(S(N)(=O)=O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 10230510 | 66083 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 537 | 10 | 3 | 6 | 3.7 | CCCCN1C(=O)[C@@H]([C@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813436 | 66083 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 537 | 10 | 3 | 6 | 3.7 | CCCCN1C(=O)[C@@H]([C@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851888 | 66083 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 537 | 10 | 3 | 6 | 3.7 | CCCCN1C(=O)[C@@H]([C@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 56659272 | 66138 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 452 | 16 | 0 | 0 | 9.8 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL1817915 | 66138 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 452 | 16 | 0 | 0 | 9.8 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL1852160 | 66138 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 452 | 16 | 0 | 0 | 9.8 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL2057817 | 66138 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 452 | 16 | 0 | 0 | 9.8 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| 56659272 | 66138 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 452 | 16 | 0 | 0 | 9.8 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL1817915 | 66138 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 452 | 16 | 0 | 0 | 9.8 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL1852160 | 66138 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 452 | 16 | 0 | 0 | 9.8 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL2057817 | 66138 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 452 | 16 | 0 | 0 | 9.8 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| 54581479 | 60561 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 588 | 9 | 1 | 4 | 6.8 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1762313 | 60561 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 588 | 9 | 1 | 4 | 6.8 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| 118727188 | 116889 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 542 | 8 | 0 | 4 | 5.0 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccc(F)cc3)C[C@H]2C)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL3397999 | 116889 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 542 | 8 | 0 | 4 | 5.0 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccc(F)cc3)C[C@H]2C)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| 44194675 | 10729 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 651 | 11 | 2 | 6 | 3.6 | C=CCN(C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172053 | 10729 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 651 | 11 | 2 | 6 | 3.6 | C=CCN(C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 50992574 | 56905 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 435 | 6 | 1 | 5 | 3.6 | CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CN(C)CC3)C2)c1ccccc1 | 10.1021/jm100978n | ||
| CHEMBL1649916 | 56905 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 435 | 6 | 1 | 5 | 3.6 | CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CN(C)CC3)C2)c1ccccc1 | 10.1021/jm100978n | ||
| 46225528 | 197985 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 619 | 6 | 0 | 5 | 5.1 | Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL592993 | 197985 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 619 | 6 | 0 | 5 | 5.1 | Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 72714321 | 92250 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 610 | 8 | 1 | 5 | 5.6 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(Br)c2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435891 | 92250 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 610 | 8 | 1 | 5 | 5.6 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(Br)c2)CC1 | 10.1021/jm401101p | ||
| 3008902 | 200993 | 1 | None | -1 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 512 | 6 | 0 | 4 | 5.1 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL61536 | 200993 | 1 | None | -1 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 512 | 6 | 0 | 4 | 5.1 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 145985889 | 164841 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 498 | 8 | 1 | 7 | 3.7 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CC(=O)N(C)C1)c1cccs1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4238007 | 164841 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 498 | 8 | 1 | 7 | 3.7 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CC(=O)N(C)C1)c1cccs1 | 10.1021/acs.jmedchem.8b01077 | ||
| 59458213 | 92263 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 525 | 8 | 1 | 4 | 5.2 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)C)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435904 | 92263 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 525 | 8 | 1 | 4 | 5.2 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)C)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 49798131 | 10768 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 574 | 10 | 1 | 6 | 4.2 | C=CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172439 | 10768 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 574 | 10 | 1 | 6 | 4.2 | C=CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 3013575 | 75418 | 1 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 682 | 17 | 1 | 7 | 8.4 | CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc([S+]([O-])Cc4cncn4CCC)cc2)CCN3CC(C)C)cc1 | 10.1021/jm0509703 | ||
| CHEMBL204821 | 75418 | 1 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 682 | 17 | 1 | 7 | 8.4 | CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc([S+]([O-])Cc4cncn4CCC)cc2)CCN3CC(C)C)cc1 | 10.1021/jm0509703 | ||
| 168273684 | 189796 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 553 | 8 | 1 | 6 | 6.7 | Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1Cl | 10.1021/acs.jmedchem.2c01383 | ||
| CHEMBL5177519 | 189796 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 553 | 8 | 1 | 6 | 6.7 | Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1Cl | 10.1021/acs.jmedchem.2c01383 | ||
| 145984717 | 164982 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 511 | 8 | 1 | 6 | 5.8 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C(C)(C)C(F)(F)F)c1cccs1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4241284 | 164982 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 511 | 8 | 1 | 6 | 5.8 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C(C)(C)C(F)(F)F)c1cccs1 | 10.1021/acs.jmedchem.8b01077 | ||
| 3001322 | 439 | 19 | None | -363 | 5 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmcl.2010.12.109 | ||
| 805 | 439 | 19 | None | -363 | 5 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1255794 | 439 | 19 | None | -363 | 5 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmcl.2010.12.109 | ||
| DB06497 | 439 | 19 | None | -363 | 5 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmcl.2010.12.109 | ||
| 51039119 | 175643 | 29 | None | 1 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
| CHEMBL4594419 | 175643 | 29 | None | 1 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
| 25024699 | 92206 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 558 | 5 | 0 | 5 | 5.4 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435847 | 92206 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 558 | 5 | 0 | 5 | 5.4 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1021/jm401101p | ||
| 72711047 | 92251 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 566 | 8 | 1 | 5 | 5.5 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(Cl)c2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435892 | 92251 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 566 | 8 | 1 | 5 | 5.5 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(Cl)c2)CC1 | 10.1021/jm401101p | ||
| 3001322 | 439 | 19 | None | -363 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| 805 | 439 | 19 | None | -363 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1255794 | 439 | 19 | None | -363 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| DB06497 | 439 | 19 | None | -363 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| 5275762 | 76740 | 1 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 608 | 10 | 1 | 5 | 4.4 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C(N)=O)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL207485 | 76740 | 1 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 608 | 10 | 1 | 5 | 4.4 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C(N)=O)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 57402798 | 68857 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 540 | 10 | 1 | 5 | 6.1 | COc1ccc(N(Cc2ccccc2)C2CCN(C(C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926873 | 68857 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 540 | 10 | 1 | 5 | 6.1 | COc1ccc(N(Cc2ccccc2)C2CCN(C(C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| 10208080 | 12952 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 481 | 10 | 1 | 4 | 4.7 | C=CCOc1ccc(CN2CCC3(CC2)C(=O)NC(CC2CCCCC2)C(=O)N3CCCC)cc1 | 10.1021/jm060051s | ||
| CHEMBL1190106 | 12952 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 481 | 10 | 1 | 4 | 4.7 | C=CCOc1ccc(CN2CCC3(CC2)C(=O)NC(CC2CCCCC2)C(=O)N3CCCC)cc1 | 10.1021/jm060051s | ||
| CHEMBL540108 | 12952 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 481 | 10 | 1 | 4 | 4.7 | C=CCOc1ccc(CN2CCC3(CC2)C(=O)NC(CC2CCCCC2)C(=O)N3CCCC)cc1 | 10.1021/jm060051s | ||
| 10228759 | 14232 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 463 | 9 | 1 | 4 | 4.7 | CCCCN1C(=O)C(CCC)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1171291 | 14232 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 463 | 9 | 1 | 4 | 4.7 | CCCCN1C(=O)C(CCC)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200080 | 14232 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 463 | 9 | 1 | 4 | 4.7 | CCCCN1C(=O)C(CCC)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 3500 | 1498 | 9 | None | 245 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 483 | 7 | 1 | 5 | 3.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C21CCN(CC2)Cc1ccc2c(c1)OCCO2 | 10.1016/j.bmcl.2009.11.018 | ||
| 491774 | 1498 | 9 | None | 245 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 483 | 7 | 1 | 5 | 3.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C21CCN(CC2)Cc1ccc2c(c1)OCCO2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL1196395 | 1498 | 9 | None | 245 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 483 | 7 | 1 | 5 | 3.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C21CCN(CC2)Cc1ccc2c(c1)OCCO2 | 10.1016/j.bmcl.2009.11.018 | ||
| 10228761 | 13816 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 463 | 8 | 1 | 4 | 4.6 | CCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL1196469 | 13816 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 463 | 8 | 1 | 4 | 4.6 | CCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL557150 | 13816 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 463 | 8 | 1 | 4 | 4.6 | CCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1021/jm060051s | ||
| 10228761 | 13816 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 463 | 8 | 1 | 4 | 4.6 | CCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1196469 | 13816 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 463 | 8 | 1 | 4 | 4.6 | CCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL557150 | 13816 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 463 | 8 | 1 | 4 | 4.6 | CCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 56664935 | 66059 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 535 | 7 | 3 | 6 | 3.4 | CN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813444 | 66059 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 535 | 7 | 3 | 6 | 3.4 | CN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851773 | 66059 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 535 | 7 | 3 | 6 | 3.4 | CN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 6320546 | 59807 | 1 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H]([C@@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1668022 | 59807 | 1 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H]([C@@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1739500 | 59807 | 1 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H]([C@@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| 122668161 | 165053 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 491 | 8 | 1 | 6 | 5.8 | Cc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)NC(=O)c2ccccc2)s1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4242946 | 165053 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 491 | 8 | 1 | 6 | 5.8 | Cc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)NC(=O)c2ccccc2)s1 | 10.1021/acs.jmedchem.8b01077 | ||
| 90656341 | 110641 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 477 | 8 | 1 | 7 | 4.6 | CSc1ccc(CN2CCN(c3ccc(OC(C)C)c(NC(=O)c4cnccn4)c3)CC2)cc1 | 10.1016/j.bmcl.2014.03.073 | ||
| CHEMBL3263320 | 110641 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 477 | 8 | 1 | 7 | 4.6 | CSc1ccc(CN2CCN(c3ccc(OC(C)C)c(NC(=O)c4cnccn4)c3)CC2)cc1 | 10.1016/j.bmcl.2014.03.073 | ||
| 6320546 | 59807 | 1 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H]([C@@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1668022 | 59807 | 1 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H]([C@@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1739500 | 59807 | 1 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H]([C@@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 3008919 | 100298 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 453 | 5 | 0 | 3 | 6.0 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm031046g | ||
| CHEMBL292894 | 100298 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 453 | 5 | 0 | 3 | 6.0 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm031046g | ||
| 73351060 | 92365 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 487 | 10 | 1 | 6 | 5.4 | CCOc1ccc(C2CCN(Cc3ccc(N(CC)CC)cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.ejmech.2013.09.004 | ||
| CHEMBL2436822 | 92365 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 487 | 10 | 1 | 6 | 5.4 | CCOc1ccc(C2CCN(Cc3ccc(N(CC)CC)cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.ejmech.2013.09.004 | ||
| 52941008 | 18879 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 772 | 12 | 1 | 5 | 7.1 | C=CCN(C(=O)Cc1ccc(F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288918 | 18879 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 772 | 12 | 1 | 5 | 7.1 | C=CCN(C(=O)Cc1ccc(F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 21926948 | 14208 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 503 | 9 | 1 | 4 | 5.5 | CCCCN1C(=O)C(CC2CCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1170694 | 14208 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 503 | 9 | 1 | 4 | 5.5 | CCCCN1C(=O)C(CC2CCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1199991 | 14208 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 503 | 9 | 1 | 4 | 5.5 | CCCCN1C(=O)C(CC2CCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 56681915 | 66084 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 591 | 10 | 3 | 6 | 5.0 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813440 | 66084 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 591 | 10 | 3 | 6 | 5.0 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851889 | 66084 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 591 | 10 | 3 | 6 | 5.0 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 57331305 | 104115 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 566 | 10 | 0 | 4 | 5.1 | CCN(Cc1ccccc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| CHEMBL3104695 | 104115 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 566 | 10 | 0 | 4 | 5.1 | CCN(Cc1ccccc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| 52941648 | 18878 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 822 | 12 | 1 | 5 | 8.0 | C=CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288917 | 18878 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 822 | 12 | 1 | 5 | 8.0 | C=CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 16728787 | 12734 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 533 | 9 | 2 | 5 | 4.9 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL1188566 | 12734 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 533 | 9 | 2 | 5 | 4.9 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL536754 | 12734 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 533 | 9 | 2 | 5 | 4.9 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| 16728787 | 12734 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 533 | 9 | 2 | 5 | 4.9 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1188566 | 12734 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 533 | 9 | 2 | 5 | 4.9 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL536754 | 12734 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 533 | 9 | 2 | 5 | 4.9 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| 46225531 | 198489 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 522 | 6 | 0 | 4 | 3.9 | Cc1ccnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL596523 | 198489 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 522 | 6 | 0 | 4 | 3.9 | Cc1ccnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 21927225 | 14226 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 473 | 7 | 1 | 4 | 4.2 | CC#CCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1171096 | 14226 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 473 | 7 | 1 | 4 | 4.2 | CC#CCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200061 | 14226 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 473 | 7 | 1 | 4 | 4.2 | CC#CCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 6479877 | 12407 | 2 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL1186558 | 12407 | 2 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL2057533 | 12407 | 2 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL469649 | 12407 | 2 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| 6479877 | 12407 | 2 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL1186558 | 12407 | 2 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL2057533 | 12407 | 2 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL469649 | 12407 | 2 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| 162660784 | 180686 | 0 | None | -25 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 1225 | 30 | 7 | 15 | 7.3 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 | 10.1016/j.bmc.2016.09.059 | ||
| CHEMBL4761986 | 180686 | 0 | None | -25 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 1225 | 30 | 7 | 15 | 7.3 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 | 10.1016/j.bmc.2016.09.059 | ||
| 6479877 | 12407 | 2 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL1186558 | 12407 | 2 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL2057533 | 12407 | 2 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL469649 | 12407 | 2 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| 46225395 | 199608 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 503 | 6 | 0 | 6 | 2.3 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCOC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL604070 | 199608 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 503 | 6 | 0 | 6 | 2.3 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCOC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL5078769 | 212812 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(C(C)=O)CC3)c3ccc(C)c(Cl)c3)CC2)cc1)C(N)=O | 10.1021/acs.jmedchem.1c00781 | ||||
| 9978318 | 121839 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 400 | 8 | 1 | 7 | 2.1 | COc1ccc(/C=C/C(=O)OC(C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 | 10.1016/j.bmcl.2004.08.021 | ||
| CHEMBL359986 | 121839 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 400 | 8 | 1 | 7 | 2.1 | COc1ccc(/C=C/C(=O)OC(C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 | 10.1016/j.bmcl.2004.08.021 | ||
| 46225395 | 199608 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 503 | 6 | 0 | 6 | 2.3 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCOC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL604070 | 199608 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 503 | 6 | 0 | 6 | 2.3 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCOC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 46225513 | 199724 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 505 | 7 | 1 | 6 | 2.3 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C(C)(C)CO)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL604680 | 199724 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 505 | 7 | 1 | 6 | 2.3 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C(C)(C)CO)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 3001322 | 439 | 19 | None | -363 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| 805 | 439 | 19 | None | -363 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1255794 | 439 | 19 | None | -363 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| DB06497 | 439 | 19 | None | -363 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| 73349506 | 92358 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 473 | 9 | 1 | 6 | 5.0 | CCN(CC)c1ccc(CN2CCC(c3ccc(OC)c(NC(=O)c4cnccn4)c3)CC2)cc1 | 10.1016/j.ejmech.2013.09.004 | ||
| CHEMBL2436814 | 92358 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 473 | 9 | 1 | 6 | 5.0 | CCN(CC)c1ccc(CN2CCC(c3ccc(OC)c(NC(=O)c4cnccn4)c3)CC2)cc1 | 10.1016/j.ejmech.2013.09.004 | ||
| 49799707 | 14212 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 544 | 9 | 2 | 4 | 5.4 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(C(=O)Nc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1170873 | 14212 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 544 | 9 | 2 | 4 | 5.4 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(C(=O)Nc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200014 | 14212 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 544 | 9 | 2 | 4 | 5.4 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(C(=O)Nc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL5074744 | 212558 | 0 | None | -1 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | None | None | None | CC(C)c1nnc(CCNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)n1C1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 | 10.1021/acs.jmedchem.1c00408 | ||||
| 21925890 | 14261 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 508 | 8 | 1 | 5 | 5.2 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1csc(-c3ccccc3)n1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1172870 | 14261 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 508 | 8 | 1 | 5 | 5.2 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1csc(-c3ccccc3)n1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200223 | 14261 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 508 | 8 | 1 | 5 | 5.2 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1csc(-c3ccccc3)n1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 3008921 | 167669 | 1 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 459 | 5 | 0 | 3 | 6.3 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)C2CCCCC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL433635 | 167669 | 1 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 459 | 5 | 0 | 3 | 6.3 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)C2CCCCC2)CC1 | 10.1021/jm031046g | ||
| 46225344 | 198386 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 535 | 5 | 0 | 5 | 4.2 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)C)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL595760 | 198386 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 535 | 5 | 0 | 5 | 4.2 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)C)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 21927257 | 14207 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 569 | 11 | 1 | 6 | 5.1 | CCCCN1C(=O)C(CC(=O)OCc2ccccc2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1170660 | 14207 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 569 | 11 | 1 | 6 | 5.1 | CCCCN1C(=O)C(CC(=O)OCc2ccccc2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1199989 | 14207 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 569 | 11 | 1 | 6 | 5.1 | CCCCN1C(=O)C(CC(=O)OCc2ccccc2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 73352534 | 92361 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 459 | 7 | 2 | 6 | 4.1 | COc1ccc(C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.ejmech.2013.09.004 | ||
| CHEMBL2436817 | 92361 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 459 | 7 | 2 | 6 | 4.1 | COc1ccc(C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.ejmech.2013.09.004 | ||
| 56657984 | 66056 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 548 | 7 | 3 | 6 | 3.1 | CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)C(=O)N[C@H]([C@H](O)C3CCCCC3)C(=O)N4C)cc2)cc1 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813445 | 66056 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 548 | 7 | 3 | 6 | 3.1 | CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)C(=O)N[C@H]([C@H](O)C3CCCCC3)C(=O)N4C)cc2)cc1 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851766 | 66056 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 548 | 7 | 3 | 6 | 3.1 | CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)C(=O)N[C@H]([C@H](O)C3CCCCC3)C(=O)N4C)cc2)cc1 | 10.1016/j.bmc.2011.05.022 | ||
| 72714320 | 92249 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 546 | 8 | 1 | 5 | 5.2 | Cc1cccc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 | 10.1021/jm401101p | ||
| CHEMBL2435890 | 92249 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 546 | 8 | 1 | 5 | 5.2 | Cc1cccc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 | 10.1021/jm401101p | ||
| 49798080 | 10715 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 629 | 10 | 1 | 6 | 5.7 | C=CCN(C(=O)OCc1ccc(OC(F)(F)F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172039 | 10715 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 629 | 10 | 1 | 6 | 5.7 | C=CCN(C(=O)OCc1ccc(OC(F)(F)F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 49798088 | 10725 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 628 | 10 | 2 | 5 | 5.3 | C=CCN(C(=O)NCc1ccc(OC(F)(F)F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172049 | 10725 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 628 | 10 | 2 | 5 | 5.3 | C=CCN(C(=O)NCc1ccc(OC(F)(F)F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 3008914 | 199324 | 1 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 573 | 6 | 0 | 3 | 7.2 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL60225 | 199324 | 1 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 573 | 6 | 0 | 3 | 7.2 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm031046g | ||
| 16728325 | 10713 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 575 | 10 | 1 | 6 | 4.8 | C=CCN(C(=O)OCc1ccc(OC)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1172036 | 10713 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 575 | 10 | 1 | 6 | 4.8 | C=CCN(C(=O)OCc1ccc(OC)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 59458159 | 92267 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 567 | 8 | 1 | 5 | 5.0 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435908 | 92267 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 567 | 8 | 1 | 5 | 5.0 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 56647076 | 92240 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 553 | 8 | 1 | 4 | 7.0 | O=C(O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| CHEMBL2435881 | 92240 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 553 | 8 | 1 | 4 | 7.0 | O=C(O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| 11692945 | 76180 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 608 | 10 | 1 | 5 | 4.4 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccccc3C(N)=O)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL206088 | 76180 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 608 | 10 | 1 | 5 | 4.4 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccccc3C(N)=O)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 118727174 | 116875 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 542 | 8 | 0 | 4 | 5.0 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccc(F)cc3)CC2C)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL3397985 | 116875 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 542 | 8 | 0 | 4 | 5.0 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccc(F)cc3)CC2C)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| 49864974 | 15610 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 656 | 9 | 2 | 4 | 6.1 | C=CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H]1CN(C(=O)C2CCCC2)C[C@]1(O)c1cccc(F)c1 | 10.1016/j.bmcl.2010.05.046 | ||
| CHEMBL1222772 | 15610 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 656 | 9 | 2 | 4 | 6.1 | C=CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H]1CN(C(=O)C2CCCC2)C[C@]1(O)c1cccc(F)c1 | 10.1016/j.bmcl.2010.05.046 | ||
| 126567286 | 164825 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 533 | 8 | 1 | 6 | 6.3 | Cc1csc([C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)c1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4237581 | 164825 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 533 | 8 | 1 | 6 | 6.3 | Cc1csc([C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)c1 | 10.1021/acs.jmedchem.8b01077 | ||
| 145986277 | 165346 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 549 | 9 | 1 | 7 | 6.0 | COc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)s1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4249941 | 165346 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 549 | 9 | 1 | 7 | 6.0 | COc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)s1 | 10.1021/acs.jmedchem.8b01077 | ||
| 56647023 | 92239 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 552 | 8 | 1 | 4 | 6.4 | NC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| CHEMBL2435880 | 92239 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 552 | 8 | 1 | 4 | 6.4 | NC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| 52944587 | 18869 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 837 | 12 | 2 | 5 | 8.1 | C=CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288880 | 18869 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 837 | 12 | 2 | 5 | 8.1 | C=CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 52944617 | 18877 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 813 | 12 | 2 | 7 | 7.4 | C=CCN(C(=O)Nc1ccc(OC(C)=O)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288916 | 18877 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 813 | 12 | 2 | 7 | 7.4 | C=CCN(C(=O)Nc1ccc(OC(C)=O)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 46225531 | 198489 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 522 | 6 | 0 | 4 | 3.9 | Cc1ccnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL596523 | 198489 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 522 | 6 | 0 | 4 | 3.9 | Cc1ccnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 44395386 | 127016 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 400 | 8 | 1 | 7 | 2.1 | COc1ccc(/C=C\C(=O)OC(C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 | 10.1016/j.bmcl.2004.08.021 | ||
| CHEMBL366260 | 127016 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 400 | 8 | 1 | 7 | 2.1 | COc1ccc(/C=C\C(=O)OC(C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 | 10.1016/j.bmcl.2004.08.021 | ||
| 3008934 | 197016 | 1 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 467 | 5 | 0 | 3 | 6.2 | Cc1cccc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL58101 | 197016 | 1 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 467 | 5 | 0 | 3 | 6.2 | Cc1cccc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 73352529 | 92338 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 501 | 10 | 1 | 6 | 5.7 | CCN(CC)c1ccc(CN2CCC(c3ccc(OC(C)C)c(NC(=O)c4cnccn4)c3)CC2)cc1 | 10.1016/j.ejmech.2013.09.004 | ||
| CHEMBL2436715 | 92338 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 501 | 10 | 1 | 6 | 5.7 | CCN(CC)c1ccc(CN2CCC(c3ccc(OC(C)C)c(NC(=O)c4cnccn4)c3)CC2)cc1 | 10.1016/j.ejmech.2013.09.004 | ||
| 73346461 | 92366 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 461 | 8 | 1 | 7 | 4.4 | CCOc1ccc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.ejmech.2013.09.004 | ||
| CHEMBL2436823 | 92366 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 461 | 8 | 1 | 7 | 4.4 | CCOc1ccc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.ejmech.2013.09.004 | ||
| 3008937 | 198416 | 1 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 469 | 5 | 0 | 5 | 5.0 | Cc1ncnc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL59602 | 198416 | 1 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 469 | 5 | 0 | 5 | 5.0 | Cc1ncnc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 90666577 | 108910 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 886 | 25 | 5 | 11 | 4.9 | CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)Nc1ccc([C@H](CCN2C3CCC2CC(n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)cc1 | 10.1039/c3md00080j | ||
| CHEMBL3219779 | 108910 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 886 | 25 | 5 | 11 | 4.9 | CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)Nc1ccc([C@H](CCN2C3CCC2CC(n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)cc1 | 10.1039/c3md00080j | ||
| 101577042 | 182560 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 886 | 25 | 5 | 11 | 4.9 | CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)Nc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)cc1 | 10.1016/j.bmc.2016.09.059 | ||
| CHEMBL4795179 | 182560 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 886 | 25 | 5 | 11 | 4.9 | CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)Nc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)cc1 | 10.1016/j.bmc.2016.09.059 | ||
| 112500047 | 123951 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 643 | 13 | 3 | 8 | 4.4 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(N)=O)cc1 | nan | ||
| CHEMBL3639964 | 123951 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 643 | 13 | 3 | 8 | 4.4 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(N)=O)cc1 | nan | ||
| 118727192 | 116893 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 430 | 7 | 1 | 4 | 4.5 | N#Cc1ccc(N2CCN(CCC(NC(=O)C3CCCCC3)c3ccccc3)CC2)cc1 | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL3398003 | 116893 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 430 | 7 | 1 | 4 | 4.5 | N#Cc1ccc(N2CCN(CCC(NC(=O)C3CCCCC3)c3ccccc3)CC2)cc1 | 10.1016/j.bmc.2014.12.052 | ||
| 90656330 | 110580 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 465 | 7 | 1 | 6 | 4.5 | CC(C)Oc1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.bmcl.2014.03.073 | ||
| CHEMBL3263026 | 110580 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 465 | 7 | 1 | 6 | 4.5 | CC(C)Oc1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.bmcl.2014.03.073 | ||
| 49798349 | 10691 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171786 | 10691 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| 73347961 | 92364 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 429 | 7 | 2 | 4 | 5.3 | CCOc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1ccccc1 | 10.1016/j.ejmech.2013.09.004 | ||
| CHEMBL2436820 | 92364 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 429 | 7 | 2 | 4 | 5.3 | CCOc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1ccccc1 | 10.1016/j.ejmech.2013.09.004 | ||
| 73347961 | 92364 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 429 | 7 | 2 | 4 | 5.3 | CCOc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1ccccc1 | 10.1016/j.bmcl.2014.03.073 | ||
| CHEMBL2436820 | 92364 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 429 | 7 | 2 | 4 | 5.3 | CCOc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1ccccc1 | 10.1016/j.bmcl.2014.03.073 | ||
| 10416 | 1849 | 23 | None | -309 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 548 | 9 | 3 | 8 | 4.0 | COc1cccc2c1c(nn2Cc1cccc(c1)CNC(=O)C(O)(C)C)NS(=O)(=O)c1ccc(s1)Cl | 10.1021/jm301572h | ||
| 46861584 | 1849 | 23 | None | -309 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 548 | 9 | 3 | 8 | 4.0 | COc1cccc2c1c(nn2Cc1cccc(c1)CNC(=O)C(O)(C)C)NS(=O)(=O)c1ccc(s1)Cl | 10.1021/jm301572h | ||
| CHEMBL2018969 | 1849 | 23 | None | -309 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 548 | 9 | 3 | 8 | 4.0 | COc1cccc2c1c(nn2Cc1cccc(c1)CNC(=O)C(O)(C)C)NS(=O)(=O)c1ccc(s1)Cl | 10.1021/jm301572h | ||
| 52947064 | 18868 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 823 | 11 | 2 | 5 | 8.5 | C=CCN(C(=O)Nc1ccc(C(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288879 | 18868 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 823 | 11 | 2 | 5 | 8.5 | C=CCN(C(=O)Nc1ccc(C(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 10278617 | 94739 | 2 | None | -1 | 2 | Crab-eating macaque | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL255858 | 94739 | 2 | None | -1 | 2 | Crab-eating macaque | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 57331304 | 104103 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 552 | 9 | 0 | 4 | 4.7 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(C(=O)N(C)Cc3ccccc3)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| CHEMBL3104681 | 104103 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 552 | 9 | 0 | 4 | 4.7 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(C(=O)N(C)Cc3ccccc3)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| 73357100 | 92362 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 485 | 10 | 1 | 4 | 6.6 | CCOc1ccc(C2CCN(Cc3ccc(N(CC)CC)cc3)CC2)cc1NC(=O)c1ccccc1 | 10.1016/j.ejmech.2013.09.004 | ||
| CHEMBL2436818 | 92362 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 485 | 10 | 1 | 4 | 6.6 | CCOc1ccc(C2CCN(Cc3ccc(N(CC)CC)cc3)CC2)cc1NC(=O)c1ccccc1 | 10.1016/j.ejmech.2013.09.004 | ||
| 90656326 | 110577 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 476 | 8 | 1 | 8 | 3.7 | CC(C)Oc1ccc(N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.bmcl.2014.03.073 | ||
| CHEMBL3263022 | 110577 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 476 | 8 | 1 | 8 | 3.7 | CC(C)Oc1ccc(N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.bmcl.2014.03.073 | ||
| 52949553 | 18880 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 832 | 13 | 1 | 7 | 6.4 | C=CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288919 | 18880 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 832 | 13 | 1 | 7 | 6.4 | C=CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 46225394 | 198426 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 501 | 6 | 0 | 5 | 3.5 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCCC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL596081 | 198426 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 501 | 6 | 0 | 5 | 3.5 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCCC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 16658856 | 66144 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL1817909 | 66144 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL1852220 | 66144 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL2057810 | 66144 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| 16658856 | 66144 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL1817909 | 66144 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL1852220 | 66144 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL2057810 | 66144 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| 16658856 | 66144 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL1817909 | 66144 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL1852220 | 66144 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL2057810 | 66144 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C/c1c(C)c(/C=C/CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| 73349499 | 92339 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 475 | 8 | 1 | 7 | 4.8 | CC(C)Oc1ccc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.ejmech.2013.09.004 | ||
| CHEMBL2436716 | 92339 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 475 | 8 | 1 | 7 | 4.8 | CC(C)Oc1ccc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.ejmech.2013.09.004 | ||
| 46225529 | 198013 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 591 | 6 | 0 | 5 | 4.3 | Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL593195 | 198013 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 591 | 6 | 0 | 5 | 4.3 | Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 145961982 | 160985 | 0 | None | -10 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 553 | 8 | 1 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4128498 | 160985 | 0 | None | -10 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 553 | 8 | 1 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| 56661524 | 66098 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 549 | 10 | 3 | 6 | 3.8 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813438 | 66098 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 549 | 10 | 3 | 6 | 3.8 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851951 | 66098 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 549 | 10 | 3 | 6 | 3.8 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 73354018 | 92336 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 443 | 7 | 2 | 4 | 5.7 | CC(C)Oc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1ccccc1 | 10.1016/j.ejmech.2013.09.004 | ||
| CHEMBL2436713 | 92336 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 443 | 7 | 2 | 4 | 5.7 | CC(C)Oc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1ccccc1 | 10.1016/j.ejmech.2013.09.004 | ||
| 46225394 | 198426 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 501 | 6 | 0 | 5 | 3.5 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCCC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL596081 | 198426 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 501 | 6 | 0 | 5 | 3.5 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCCC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 3008918 | 197703 | 1 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 467 | 5 | 0 | 3 | 6.3 | Cc1ccccc1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL59101 | 197703 | 1 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 467 | 5 | 0 | 3 | 6.3 | Cc1ccccc1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 126567281 | 164958 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 520 | 8 | 1 | 7 | 5.4 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cscn1 | 10.1021/acs.jmedchem.2c01383 | ||
| CHEMBL4240742 | 164958 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 520 | 8 | 1 | 7 | 5.4 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cscn1 | 10.1021/acs.jmedchem.2c01383 | ||
| 122185625 | 122392 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 504 | 8 | 2 | 6 | 3.2 | Cc1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)[n+]2c(c1CNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3604304 | 122392 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 504 | 8 | 2 | 6 | 3.2 | Cc1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)[n+]2c(c1CNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3606026 | 122392 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 504 | 8 | 2 | 6 | 3.2 | Cc1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)[n+]2c(c1CNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| 168284187 | 190261 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 519 | 7 | 1 | 6 | 5.9 | Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C(F)(F)F)c1csc2ccccc12 | 10.1021/acs.jmedchem.2c01383 | ||
| CHEMBL5184527 | 190261 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 519 | 7 | 1 | 6 | 5.9 | Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C(F)(F)F)c1csc2ccccc12 | 10.1021/acs.jmedchem.2c01383 | ||
| 23577370 | 66032 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 549 | 9 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813270 | 66032 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 549 | 9 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851623 | 66032 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 549 | 9 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 56681917 | 66103 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 604 | 11 | 3 | 6 | 4.6 | CCCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813450 | 66103 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 604 | 11 | 3 | 6 | 4.6 | CCCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851972 | 66103 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 604 | 11 | 3 | 6 | 4.6 | CCCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 46225429 | 198402 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 527 | 5 | 0 | 5 | 4.2 | Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CCN(C(=O)C(C)(C)C)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL595902 | 198402 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 527 | 5 | 0 | 5 | 4.2 | Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CCN(C(=O)C(C)(C)C)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 21926618 | 14225 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 475 | 8 | 1 | 4 | 4.8 | C/C=C/CN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1171095 | 14225 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 475 | 8 | 1 | 4 | 4.8 | C/C=C/CN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200060 | 14225 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 475 | 8 | 1 | 4 | 4.8 | C/C=C/CN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 122185635 | 122404 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 474 | 8 | 2 | 4 | 3.4 | COc1ccc(C(=O)NCc2c(C)c(CNC(=O)c3ccc(OC)cc3)c3[n+](c2C)CCC3)cc1 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3604309 | 122404 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 474 | 8 | 2 | 4 | 3.4 | COc1ccc(C(=O)NCc2c(C)c(CNC(=O)c3ccc(OC)cc3)c3[n+](c2C)CCC3)cc1 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3606103 | 122404 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 474 | 8 | 2 | 4 | 3.4 | COc1ccc(C(=O)NCc2c(C)c(CNC(=O)c3ccc(OC)cc3)c3[n+](c2C)CCC3)cc1 | 10.1016/j.bmcl.2015.06.029 | ||
| 44511966 | 68871 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 515 | 10 | 1 | 6 | 5.1 | COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cncc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926889 | 68871 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 515 | 10 | 1 | 6 | 5.1 | COc1ccc(N(Cc2cnccc2C)C2CCN([C@H](C)CCNC(=O)c3c(C)cncc3C)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| 57394058 | 68887 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 510 | 9 | 1 | 6 | 5.0 | Cc1ccncc1CN(c1ccccc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C#N)nc2C)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926905 | 68887 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 510 | 9 | 1 | 6 | 5.0 | Cc1ccncc1CN(c1ccccc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C#N)nc2C)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| 21867666 | 161510 | 82 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 112 | 0 | 2 | 2 | -0.6 | C1NCC2CNCC12 | 10.1016/j.ejmech.2018.01.085 | ||
| CHEMBL4160473 | 161510 | 82 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 112 | 0 | 2 | 2 | -0.6 | C1NCC2CNCC12 | 10.1016/j.ejmech.2018.01.085 | ||
| 76313867 | 104114 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 566 | 10 | 0 | 4 | 4.9 | CCN(C(=O)Cc1ccccc1)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| CHEMBL3104694 | 104114 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 566 | 10 | 0 | 4 | 4.9 | CCN(C(=O)Cc1ccccc1)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| 5275760 | 76711 | 1 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 623 | 10 | 0 | 6 | 5.1 | COC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1021/jm051034q | ||
| CHEMBL207301 | 76711 | 1 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 623 | 10 | 0 | 6 | 5.1 | COC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1021/jm051034q | ||
| 72711278 | 92257 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 564 | 8 | 1 | 5 | 5.3 | Cc1cc(F)cc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 | 10.1021/jm401101p | ||
| CHEMBL2435898 | 92257 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 564 | 8 | 1 | 5 | 5.3 | Cc1cc(F)cc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 | 10.1021/jm401101p | ||
| 3008935 | 201041 | 1 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 468 | 5 | 0 | 4 | 5.6 | Cc1ccnc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL61828 | 201041 | 1 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 468 | 5 | 0 | 4 | 5.6 | Cc1ccnc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 73346389 | 92238 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 580 | 8 | 0 | 4 | 7.0 | CN(C)C(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| CHEMBL2435879 | 92238 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 580 | 8 | 0 | 4 | 7.0 | CN(C)C(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| 72711507 | 92262 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 525 | 9 | 1 | 4 | 5.2 | CCCN1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O | 10.1021/jm401101p | ||
| CHEMBL2435903 | 92262 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 525 | 9 | 1 | 4 | 5.2 | CCCN1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O | 10.1021/jm401101p | ||
| 16728787 | 12734 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 533 | 9 | 2 | 5 | 4.9 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1188566 | 12734 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 533 | 9 | 2 | 5 | 4.9 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL536754 | 12734 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 533 | 9 | 2 | 5 | 4.9 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| 3008918 | 197703 | 1 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 467 | 5 | 0 | 3 | 6.3 | Cc1ccccc1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL59101 | 197703 | 1 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 467 | 5 | 0 | 3 | 6.3 | Cc1ccccc1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 183790 | 3685 | 8 | None | -2 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmcl.2011.07.058 | ||
| 783 | 3685 | 8 | None | -2 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL1178786 | 3685 | 8 | None | -2 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmcl.2011.07.058 | ||
| 3008932 | 200959 | 1 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 560 | 6 | 0 | 6 | 6.5 | Cc1nc(-c2ccncc2)nc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL61373 | 200959 | 1 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 560 | 6 | 0 | 6 | 6.5 | Cc1nc(-c2ccncc2)nc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 3008932 | 200959 | 1 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 560 | 6 | 0 | 6 | 6.5 | Cc1nc(-c2ccncc2)nc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL61373 | 200959 | 1 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 560 | 6 | 0 | 6 | 6.5 | Cc1nc(-c2ccncc2)nc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 3008923 | 197221 | 1 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 521 | 5 | 0 | 3 | 7.3 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2c(Cl)cccc2Cl)CC1 | 10.1021/jm031046g | ||
| CHEMBL58441 | 197221 | 1 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 521 | 5 | 0 | 3 | 7.3 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2c(Cl)cccc2Cl)CC1 | 10.1021/jm031046g | ||
| 3008928 | 200970 | 1 | None | -1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 483 | 5 | 0 | 5 | 5.4 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL61424 | 200970 | 1 | None | -1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 483 | 5 | 0 | 5 | 5.4 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 168296928 | 191642 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 576 | 9 | 1 | 8 | 4.2 | Cc1ccc([C@H](CCN2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCN(S(C)(=O)=O)CC2)s1 | 10.1021/acs.jmedchem.2c01383 | ||
| CHEMBL5205216 | 191642 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 576 | 9 | 1 | 8 | 4.2 | Cc1ccc([C@H](CCN2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCN(S(C)(=O)=O)CC2)s1 | 10.1021/acs.jmedchem.2c01383 | ||
| 72711051 | 92255 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 610 | 8 | 1 | 5 | 5.6 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccc(Br)cc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435896 | 92255 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 610 | 8 | 1 | 5 | 5.6 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccc(Br)cc2)CC1 | 10.1021/jm401101p | ||
| 73346454 | 92345 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 457 | 7 | 2 | 4 | 5.3 | COc1ccc(C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)cc1NC(=O)c1ccccc1 | 10.1016/j.ejmech.2013.09.004 | ||
| CHEMBL2436722 | 92345 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 457 | 7 | 2 | 4 | 5.3 | COc1ccc(C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)cc1NC(=O)c1ccccc1 | 10.1016/j.ejmech.2013.09.004 | ||
| 49799680 | 14266 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 502 | 8 | 1 | 4 | 5.2 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(-c3cccnc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200241 | 14266 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 502 | 8 | 1 | 4 | 5.2 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(-c3cccnc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL3217146 | 14266 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 502 | 8 | 1 | 4 | 5.2 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(-c3cccnc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 23577378 | 66099 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 563 | 10 | 2 | 6 | 4.9 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(OC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813269 | 66099 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 563 | 10 | 2 | 6 | 4.9 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(OC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851957 | 66099 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 563 | 10 | 2 | 6 | 4.9 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(OC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 3013673 | 76606 | 1 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 461 | 8 | 0 | 3 | 4.6 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc2)CC1 | 10.1021/jm051034q | ||
| CHEMBL207085 | 76606 | 1 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 461 | 8 | 0 | 3 | 4.6 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc2)CC1 | 10.1021/jm051034q | ||
| 122668217 | 191668 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 454 | 8 | 1 | 7 | 4.4 | Cc1ccc([C@H](CCN2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)NC(=O)CC#N)s1 | 10.1021/acs.jmedchem.2c01383 | ||
| CHEMBL5205626 | 191668 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 454 | 8 | 1 | 7 | 4.4 | Cc1ccc([C@H](CCN2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)NC(=O)CC#N)s1 | 10.1021/acs.jmedchem.2c01383 | ||
| 44395365 | 123954 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 386 | 7 | 2 | 7 | 1.8 | CC(OC(=O)/C=C/c1ccc(O)cc1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1 | 10.1016/j.bmcl.2004.08.021 | ||
| CHEMBL363999 | 123954 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 386 | 7 | 2 | 7 | 1.8 | CC(OC(=O)/C=C/c1ccc(O)cc1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1 | 10.1016/j.bmcl.2004.08.021 | ||
| 73355552 | 92359 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 447 | 7 | 1 | 7 | 4.0 | COc1ccc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.ejmech.2013.09.004 | ||
| CHEMBL2436815 | 92359 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 447 | 7 | 1 | 7 | 4.0 | COc1ccc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.ejmech.2013.09.004 | ||
| 23577382 | 66105 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 590 | 10 | 3 | 6 | 4.2 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813432 | 66105 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 590 | 10 | 3 | 6 | 4.2 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851977 | 66105 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 590 | 10 | 3 | 6 | 4.2 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 3008916 | 161811 | 1 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 509 | 7 | 0 | 3 | 6.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL416512 | 161811 | 1 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 509 | 7 | 0 | 3 | 6.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 57331339 | 104107 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 563 | 9 | 1 | 5 | 4.2 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(C(=O)NCc3ccc(C#N)cc3)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| CHEMBL3104685 | 104107 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 563 | 9 | 1 | 5 | 4.2 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(C(=O)NCc3ccc(C#N)cc3)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| 57331275 | 104108 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 552 | 10 | 1 | 4 | 4.4 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(C(=O)NCCc3ccccc3)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| CHEMBL3104688 | 104108 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 552 | 10 | 1 | 4 | 4.4 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(C(=O)NCCc3ccccc3)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| 10182763 | 13783 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 419 | 6 | 1 | 3 | 3.6 | CC(C)C[C@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O | 10.1021/jm060051s | ||
| CHEMBL1196226 | 13783 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 419 | 6 | 1 | 3 | 3.6 | CC(C)C[C@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O | 10.1021/jm060051s | ||
| CHEMBL556188 | 13783 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 419 | 6 | 1 | 3 | 3.6 | CC(C)C[C@H]1NC(=O)C2(CCN(Cc3ccccc3)CC2)N(Cc2ccccc2)C1=O | 10.1021/jm060051s | ||
| 73347956 | 92344 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 415 | 6 | 2 | 4 | 4.9 | COc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1ccccc1 | 10.1016/j.ejmech.2013.09.004 | ||
| CHEMBL2436721 | 92344 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 415 | 6 | 2 | 4 | 4.9 | COc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1ccccc1 | 10.1016/j.ejmech.2013.09.004 | ||
| 73355549 | 92340 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 445 | 7 | 2 | 6 | 4.5 | CC(C)Oc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.ejmech.2013.09.004 | ||
| CHEMBL2436717 | 92340 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 445 | 7 | 2 | 6 | 4.5 | CC(C)Oc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1cnccn1 | 10.1016/j.ejmech.2013.09.004 | ||
| 16728787 | 12734 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 533 | 9 | 2 | 5 | 4.9 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1188566 | 12734 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 533 | 9 | 2 | 5 | 4.9 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL536754 | 12734 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 533 | 9 | 2 | 5 | 4.9 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 56669616 | 66131 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 428 | 18 | 0 | 0 | 8.9 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL1817910 | 66131 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 428 | 18 | 0 | 0 | 8.9 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL1852129 | 66131 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 428 | 18 | 0 | 0 | 8.9 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL2057811 | 66131 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 428 | 18 | 0 | 0 | 8.9 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| 56669616 | 66131 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 428 | 18 | 0 | 0 | 8.9 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL1817910 | 66131 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 428 | 18 | 0 | 0 | 8.9 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL1852129 | 66131 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 428 | 18 | 0 | 0 | 8.9 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL2057811 | 66131 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 428 | 18 | 0 | 0 | 8.9 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| 56669616 | 66131 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 428 | 18 | 0 | 0 | 8.9 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL1817910 | 66131 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 428 | 18 | 0 | 0 | 8.9 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL1852129 | 66131 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 428 | 18 | 0 | 0 | 8.9 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL2057811 | 66131 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 428 | 18 | 0 | 0 | 8.9 | CCCCCCCCCCc1c(C)c(CCCCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| 16728784 | 12688 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 493 | 9 | 2 | 5 | 4.1 | CCCCN1C(=O)C(CC(C)(C)O)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL1188107 | 12688 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 493 | 9 | 2 | 5 | 4.1 | CCCCN1C(=O)C(CC(C)(C)O)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL535172 | 12688 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 493 | 9 | 2 | 5 | 4.1 | CCCCN1C(=O)C(CC(C)(C)O)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| 21064126 | 14231 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 491 | 8 | 1 | 4 | 5.4 | CCCCN1C(=O)[C@H](CC(C)(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1171290 | 14231 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 491 | 8 | 1 | 4 | 5.4 | CCCCN1C(=O)[C@H](CC(C)(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200079 | 14231 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 491 | 8 | 1 | 4 | 5.4 | CCCCN1C(=O)[C@H](CC(C)(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 21064297 | 14290 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 531 | 9 | 1 | 4 | 6.2 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C)cc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1173710 | 14290 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 531 | 9 | 1 | 4 | 6.2 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C)cc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200301 | 14290 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 531 | 9 | 1 | 4 | 6.2 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C)cc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 46226124 | 14003 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 545 | 10 | 1 | 4 | 6.3 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(C)cc3)c1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL1198013 | 14003 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 545 | 10 | 1 | 4 | 6.3 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(C)cc3)c1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL593204 | 14003 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 545 | 10 | 1 | 4 | 6.3 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(C)cc3)c1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| 90666580 | 108913 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 657 | 13 | 3 | 8 | 4.7 | CNC(=O)COCC(=O)Nc1ccc([C@H](CCN2C3CCC2CC(n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)cc1 | 10.1039/c3md00080j | ||
| CHEMBL3219782 | 108913 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 657 | 13 | 3 | 8 | 4.7 | CNC(=O)COCC(=O)Nc1ccc([C@H](CCN2C3CCC2CC(n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)cc1 | 10.1039/c3md00080j | ||
| 57390535 | 68865 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 613 | 9 | 1 | 5 | 6.7 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2cccc(C#N)c2)c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926883 | 68865 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 613 | 9 | 1 | 5 | 6.7 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2cccc(C#N)c2)c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2011.09.133 | ||
| 3002977 | 2426 | 70 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.8b01077 | ||
| 803 | 2426 | 70 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.8b01077 | ||
| 806 | 2426 | 70 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL1201187 | 2426 | 70 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL256907 | 2426 | 70 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL584744 | 2426 | 70 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.8b01077 | ||
| DB04835 | 2426 | 70 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.8b01077 | ||
| 3002977 | 2426 | 70 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.2c01383 | ||
| 803 | 2426 | 70 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.2c01383 | ||
| 806 | 2426 | 70 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.2c01383 | ||
| CHEMBL1201187 | 2426 | 70 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.2c01383 | ||
| CHEMBL256907 | 2426 | 70 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.2c01383 | ||
| CHEMBL584744 | 2426 | 70 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.2c01383 | ||
| DB04835 | 2426 | 70 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.2c01383 | ||
| 145985237 | 164972 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 533 | 8 | 1 | 6 | 6.3 | Cc1cscc1[C@H](CCN1[C@H]2CC[C@@H]1C[C@@H](n1c(C)nnc1C(C)C)C2)NC(=O)C1CCC(F)(F)CC1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4241066 | 164972 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 533 | 8 | 1 | 6 | 6.3 | Cc1cscc1[C@H](CCN1[C@H]2CC[C@@H]1C[C@@H](n1c(C)nnc1C(C)C)C2)NC(=O)C1CCC(F)(F)CC1 | 10.1021/acs.jmedchem.8b01077 | ||
| 3008937 | 198416 | 1 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 469 | 5 | 0 | 5 | 5.0 | Cc1ncnc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL59602 | 198416 | 1 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 469 | 5 | 0 | 5 | 5.0 | Cc1ncnc(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 5275764 | 75683 | 1 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 636 | 10 | 0 | 5 | 5.0 | CN(C)C(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1021/jm051034q | ||
| CHEMBL205706 | 75683 | 1 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 636 | 10 | 0 | 5 | 5.0 | CN(C)C(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1021/jm051034q | ||
| 118727171 | 116872 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 549 | 8 | 0 | 5 | 4.7 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccc(C#N)cc3)CC2C)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL3397982 | 116872 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 549 | 8 | 0 | 5 | 4.7 | CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccc(C#N)cc3)CC2C)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| 122668179 | 191899 | 2 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 601 | 8 | 1 | 6 | 6.0 | Cc1nc2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)N3CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1)CCN(C(=O)C(C)C)C2 | 10.1021/acs.jmedchem.2c01383 | ||
| CHEMBL5209067 | 191899 | 2 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 601 | 8 | 1 | 6 | 6.0 | Cc1nc2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)N3CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1)CCN(C(=O)C(C)C)C2 | 10.1021/acs.jmedchem.2c01383 | ||
| 3008931 | 200960 | 1 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 559 | 6 | 0 | 5 | 7.1 | Cc1nc(-c2ccccc2)nc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL61374 | 200960 | 1 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 559 | 6 | 0 | 5 | 7.1 | Cc1nc(-c2ccccc2)nc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 52948264 | 18861 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 815 | 13 | 1 | 8 | 7.5 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288872 | 18861 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 815 | 13 | 1 | 8 | 7.5 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 16728324 | 10706 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 545 | 9 | 1 | 5 | 4.8 | C=CCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| CHEMBL1171965 | 10706 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 545 | 9 | 1 | 5 | 4.8 | C=CCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.05.102 | ||
| 118727186 | 116887 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 540 | 8 | 0 | 4 | 4.7 | CC(=O)N1CCC(C(=O)N(CCCN2C[C@@H]3C[C@H]2CN3Cc2ccc(F)cc2)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL3397997 | 116887 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 540 | 8 | 0 | 4 | 4.7 | CC(=O)N1CCC(C(=O)N(CCCN2C[C@@H]3C[C@H]2CN3Cc2ccc(F)cc2)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| 49864969 | 15605 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 608 | 10 | 1 | 7 | 4.9 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2010.05.046 | ||
| CHEMBL1222767 | 15605 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 608 | 10 | 1 | 7 | 4.9 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2010.05.046 | ||
| 3008924 | 198021 | 1 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 503 | 5 | 0 | 3 | 7.1 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2cccc3ccccc23)CC1 | 10.1021/jm031046g | ||
| CHEMBL59328 | 198021 | 1 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 503 | 5 | 0 | 3 | 7.1 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2cccc3ccccc23)CC1 | 10.1021/jm031046g | ||
| 3008903 | 162628 | 1 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 537 | 6 | 0 | 5 | 5.0 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3C#N)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL418120 | 162628 | 1 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 537 | 6 | 0 | 5 | 5.0 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3C#N)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 72712158 | 92224 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 609 | 9 | 2 | 5 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCC(C(=O)O)CC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435865 | 92224 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 609 | 9 | 2 | 5 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCC(C(=O)O)CC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 122185627 | 122402 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 450 | 6 | 2 | 2 | 3.7 | Cc1c(CNC(=O)c2ccc(F)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(F)cc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3604305 | 122402 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 450 | 6 | 2 | 2 | 3.7 | Cc1c(CNC(=O)c2ccc(F)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(F)cc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| CHEMBL3606099 | 122402 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 450 | 6 | 2 | 2 | 3.7 | Cc1c(CNC(=O)c2ccc(F)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(F)cc1)CCC2 | 10.1016/j.bmcl.2015.06.029 | ||
| 49799705 | 14286 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 529 | 9 | 1 | 4 | 5.4 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(C(=O)c3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1173646 | 14286 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 529 | 9 | 1 | 4 | 5.4 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(C(=O)c3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200294 | 14286 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 529 | 9 | 1 | 4 | 5.4 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(C(=O)c3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 56661522 | 66318 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 535 | 10 | 3 | 6 | 3.4 | CCCCN1C(=O)[C@@H]([C@H](O)C2CC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813437 | 66318 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 535 | 10 | 3 | 6 | 3.4 | CCCCN1C(=O)[C@@H]([C@H](O)C2CC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1852861 | 66318 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 535 | 10 | 3 | 6 | 3.4 | CCCCN1C(=O)[C@@H]([C@H](O)C2CC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 126567273 | 165287 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.3 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccnc1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4248733 | 165287 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.3 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccnc1 | 10.1021/acs.jmedchem.8b01077 | ||
| 72711279 | 92258 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 533 | 8 | 1 | 6 | 4.3 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccnc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435899 | 92258 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 533 | 8 | 1 | 6 | 4.3 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccnc2)CC1 | 10.1021/jm401101p | ||
| 11569805 | 13812 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)[C@H](CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL1196449 | 13812 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)[C@H](CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL556995 | 13812 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)[C@H](CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| 16659334 | 13891 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@@H]([C@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1197042 | 13891 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@@H]([C@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL559168 | 13891 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@@H]([C@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| 11569805 | 13812 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)[C@H](CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1196449 | 13812 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)[C@H](CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL556995 | 13812 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)[C@H](CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 56683103 | 66141 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 452 | 16 | 0 | 0 | 9.8 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL1817914 | 66141 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 452 | 16 | 0 | 0 | 9.8 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL1852172 | 66141 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 452 | 16 | 0 | 0 | 9.8 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL2057815 | 66141 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 452 | 16 | 0 | 0 | 9.8 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| 56683103 | 66141 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 452 | 16 | 0 | 0 | 9.8 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL1817914 | 66141 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 452 | 16 | 0 | 0 | 9.8 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL1852172 | 66141 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 452 | 16 | 0 | 0 | 9.8 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL2057815 | 66141 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 452 | 16 | 0 | 0 | 9.8 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| 56683103 | 66141 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 452 | 16 | 0 | 0 | 9.8 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL1817914 | 66141 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 452 | 16 | 0 | 0 | 9.8 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL1852172 | 66141 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 452 | 16 | 0 | 0 | 9.8 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL2057815 | 66141 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 452 | 16 | 0 | 0 | 9.8 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| 72713858 | 92269 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 538 | 8 | 1 | 6 | 4.9 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccsc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435910 | 92269 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 538 | 8 | 1 | 6 | 4.9 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccsc2)CC1 | 10.1021/jm401101p | ||
| 46225349 | 198367 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 539 | 6 | 0 | 5 | 4.3 | Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CCN(C(=O)C4CCCC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL595610 | 198367 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 539 | 6 | 0 | 5 | 4.3 | Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CCN(C(=O)C4CCCC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 491775 | 12768 | 1 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1188807 | 12768 | 1 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL537424 | 12768 | 1 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| 21064329 | 14224 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 565 | 9 | 1 | 5 | 5.0 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(S(=O)(=O)c3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1171069 | 14224 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 565 | 9 | 1 | 5 | 5.0 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(S(=O)(=O)c3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200059 | 14224 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 565 | 9 | 1 | 5 | 5.0 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(S(=O)(=O)c3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 46226122 | 13998 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 579 | 10 | 1 | 5 | 5.0 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(S(=O)(=O)c3ccccc3)c1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL1198002 | 13998 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 579 | 10 | 1 | 5 | 5.0 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(S(=O)(=O)c3ccccc3)c1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL592918 | 13998 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 579 | 10 | 1 | 5 | 5.0 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(S(=O)(=O)c3ccccc3)c1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| 76310164 | 104110 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 586 | 10 | 1 | 4 | 5.0 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| CHEMBL3104690 | 104110 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 586 | 10 | 1 | 4 | 5.0 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| 52945865 | 18881 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 838 | 13 | 1 | 6 | 7.9 | C=CCN(C(=O)Cc1ccc(OC(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| CHEMBL1288920 | 18881 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 838 | 13 | 1 | 6 | 7.9 | C=CCN(C(=O)Cc1ccc(OC(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 | 10.1016/j.bmcl.2010.10.033 | ||
| 21064283 | 14217 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 561 | 10 | 2 | 5 | 5.6 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1170878 | 14217 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 561 | 10 | 2 | 5 | 5.6 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1200019 | 14217 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 561 | 10 | 2 | 5 | 5.6 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| 145984103 | 165318 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 541 | 7 | 1 | 7 | 4.3 | CC(=O)N1CCN(C(=O)N[C@@H](CCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)c2ccc(C)s2)CC1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4249241 | 165318 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 541 | 7 | 1 | 7 | 4.3 | CC(=O)N1CCN(C(=O)N[C@@H](CCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)c2ccc(C)s2)CC1 | 10.1021/acs.jmedchem.8b01077 | ||
| 9978318 | 121839 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 400 | 8 | 1 | 7 | 2.1 | COc1ccc(/C=C/C(=O)OC(C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 | 10.1016/j.bmcl.2004.08.021 | ||
| CHEMBL359986 | 121839 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 400 | 8 | 1 | 7 | 2.1 | COc1ccc(/C=C/C(=O)OC(C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 | 10.1016/j.bmcl.2004.08.021 | ||
| 44395386 | 127016 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 400 | 8 | 1 | 7 | 2.1 | COc1ccc(/C=C\C(=O)OC(C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 | 10.1016/j.bmcl.2004.08.021 | ||
| CHEMBL366260 | 127016 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 400 | 8 | 1 | 7 | 2.1 | COc1ccc(/C=C\C(=O)OC(C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 | 10.1016/j.bmcl.2004.08.021 | ||
| 73349500 | 92341 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 487 | 8 | 2 | 6 | 4.9 | CC(=O)Nc1ccc(CN2CCC(c3ccc(OC(C)C)c(NC(=O)c4cnccn4)c3)CC2)cc1 | 10.1016/j.ejmech.2013.09.004 | ||
| CHEMBL2436718 | 92341 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 487 | 8 | 2 | 6 | 4.9 | CC(=O)Nc1ccc(CN2CCC(c3ccc(OC(C)C)c(NC(=O)c4cnccn4)c3)CC2)cc1 | 10.1016/j.ejmech.2013.09.004 | ||
| 50993436 | 56904 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 421 | 6 | 2 | 5 | 3.3 | CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CNCC3)C2)c1ccccc1 | 10.1021/jm100978n | ||
| CHEMBL1649915 | 56904 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 421 | 6 | 2 | 5 | 3.3 | CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CNCC3)C2)c1ccccc1 | 10.1021/jm100978n | ||
| 3008936 | 197019 | 1 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 484 | 5 | 0 | 4 | 4.8 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL58109 | 197019 | 1 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 484 | 5 | 0 | 4 | 4.8 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1021/jm031046g | ||
| 126567306 | 165125 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 519 | 8 | 1 | 6 | 6.0 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccs1 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4244935 | 165125 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 519 | 8 | 1 | 6 | 6.0 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccs1 | 10.1021/acs.jmedchem.8b01077 | ||
| 122668196 | 191364 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 501 | 8 | 1 | 6 | 5.9 | Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCCCC1)c1ccc(F)s1 | 10.1021/acs.jmedchem.2c01383 | ||
| CHEMBL5200961 | 191364 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 501 | 8 | 1 | 6 | 5.9 | Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCCCC1)c1ccc(F)s1 | 10.1021/acs.jmedchem.2c01383 | ||
| 145985894 | 164855 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 569 | 8 | 1 | 6 | 7.2 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1csc2ccccc12 | 10.1021/acs.jmedchem.8b01077 | ||
| CHEMBL4238266 | 164855 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 569 | 8 | 1 | 6 | 7.2 | Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1csc2ccccc12 | 10.1021/acs.jmedchem.8b01077 | ||
| 5275763 | 96343 | 1 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 622 | 10 | 1 | 5 | 4.7 | CNC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1021/jm051034q | ||
| CHEMBL264832 | 96343 | 1 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 622 | 10 | 1 | 5 | 4.7 | CNC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1021/jm051034q | ||
| 3008925 | 100447 | 1 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 492 | 5 | 1 | 3 | 6.5 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2cccc3[nH]ccc23)CC1 | 10.1021/jm031046g | ||
| CHEMBL293900 | 100447 | 1 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 492 | 5 | 1 | 3 | 6.5 | CC1(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CCN(C(=O)c2cccc3[nH]ccc23)CC1 | 10.1021/jm031046g | ||
| 57401041 | 68860 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 568 | 10 | 1 | 6 | 5.9 | COC(=O)c1ccc(N(Cc2ccccc2)C2CCN(C(C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| CHEMBL1926876 | 68860 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 568 | 10 | 1 | 6 | 5.9 | COC(=O)c1ccc(N(Cc2ccccc2)C2CCN(C(C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)cc1 | 10.1016/j.bmcl.2011.09.133 | ||
| 10159218 | 13822 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 385 | 7 | 1 | 3 | 3.2 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccccc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL1196504 | 13822 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 385 | 7 | 1 | 3 | 3.2 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccccc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL557199 | 13822 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 385 | 7 | 1 | 3 | 3.2 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccccc1)CC2 | 10.1021/jm060051s | ||
| 10159218 | 13822 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 385 | 7 | 1 | 3 | 3.2 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccccc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1196504 | 13822 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 385 | 7 | 1 | 3 | 3.2 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccccc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL557199 | 13822 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 385 | 7 | 1 | 3 | 3.2 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccccc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 10159218 | 13822 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 385 | 7 | 1 | 3 | 3.2 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccccc1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL1196504 | 13822 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 385 | 7 | 1 | 3 | 3.2 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccccc1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL557199 | 13822 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 385 | 7 | 1 | 3 | 3.2 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccccc1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| 73351055 | 92342 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 471 | 9 | 1 | 4 | 6.2 | CCN(CC)c1ccc(CN2CCC(c3ccc(OC)c(NC(=O)c4ccccc4)c3)CC2)cc1 | 10.1016/j.ejmech.2013.09.004 | ||
| CHEMBL2436719 | 92342 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 471 | 9 | 1 | 4 | 6.2 | CCN(CC)c1ccc(CN2CCC(c3ccc(OC)c(NC(=O)c4ccccc4)c3)CC2)cc1 | 10.1016/j.ejmech.2013.09.004 | ||
| 118727187 | 116888 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 542 | 8 | 0 | 4 | 5.0 | CC(=O)N1CCC(C(=O)N(CCCN2CCCN(Cc3ccc(F)cc3)CC2)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| CHEMBL3397998 | 116888 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 542 | 8 | 0 | 4 | 5.0 | CC(=O)N1CCC(C(=O)N(CCCN2CCCN(Cc3ccc(F)cc3)CC2)c2ccc(C)c(Cl)c2)CC1 | 10.1016/j.bmc.2014.12.052 | ||
| 72712374 | 92233 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 457 | 5 | 1 | 3 | 5.3 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc3nc[nH]c3c2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435874 | 92233 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 457 | 5 | 1 | 3 | 5.3 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc3nc[nH]c3c2)CC1 | 10.1021/jm401101p | ||
| 72714318 | 92247 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 550 | 8 | 1 | 5 | 5.0 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccccc2F)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435888 | 92247 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 550 | 8 | 1 | 5 | 5.0 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccccc2F)CC1 | 10.1021/jm401101p | ||
| 3008912 | 199387 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 458 | 4 | 1 | 4 | 5.4 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc4ccn(C)c4c3)CC2)CC1 | 10.1021/jm031046g | ||
| CHEMBL60279 | 199387 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 458 | 4 | 1 | 4 | 5.4 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc4ccn(C)c4c3)CC2)CC1 | 10.1021/jm031046g | ||
| 23577378 | 66099 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4.0 | Functional | ChEMBL | 563 | 10 | 2 | 6 | 4.9 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(OC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813269 | 66099 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4.0 | Functional | ChEMBL | 563 | 10 | 2 | 6 | 4.9 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(OC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851957 | 66099 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4.0 | Functional | ChEMBL | 563 | 10 | 2 | 6 | 4.9 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(OC)cc3)cc1)CC2 | 10.1016/j.bmc.2011.05.022 | ||
| 21064289 | 14287 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 535 | 9 | 1 | 4 | 6.1 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(F)cc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1173647 | 14287 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 535 | 9 | 1 | 4 | 6.1 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(F)cc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1200295 | 14287 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 535 | 9 | 1 | 4 | 6.1 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(F)cc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 46226130 | 14000 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 549 | 10 | 1 | 4 | 6.1 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(F)cc3)c1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL1198009 | 14000 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 549 | 10 | 1 | 4 | 6.1 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(F)cc3)c1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL593111 | 14000 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 549 | 10 | 1 | 4 | 6.1 | CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(F)cc3)c1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| 46225527 | 198012 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 571 | 6 | 0 | 6 | 3.3 | Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCOC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL593184 | 198012 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 571 | 6 | 0 | 6 | 3.3 | Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCOC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 62707282 | 76823 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 286 | 8 | 0 | 0 | 5.3 | CCCCCCCC/C=C\c1c(C)cc(C)[n+]2c1CCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL2057534 | 76823 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 286 | 8 | 0 | 0 | 5.3 | CCCCCCCC/C=C\c1c(C)cc(C)[n+]2c1CCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL2078850 | 76823 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 286 | 8 | 0 | 0 | 5.3 | CCCCCCCC/C=C\c1c(C)cc(C)[n+]2c1CCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| 54752875 | 76837 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C/CCCCCCCC)c(C)[n+]2c1CCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL2057813 | 76837 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C/CCCCCCCC)c(C)[n+]2c1CCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| CHEMBL2079028 | 76837 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C/CCCCCCCC)c(C)[n+]2c1CCC2 | 10.1016/j.bmcl.2012.05.127 | ||
| 62707282 | 76823 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 286 | 8 | 0 | 0 | 5.3 | CCCCCCCC/C=C\c1c(C)cc(C)[n+]2c1CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL2057534 | 76823 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 286 | 8 | 0 | 0 | 5.3 | CCCCCCCC/C=C\c1c(C)cc(C)[n+]2c1CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL2078850 | 76823 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 286 | 8 | 0 | 0 | 5.3 | CCCCCCCC/C=C\c1c(C)cc(C)[n+]2c1CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| 54752875 | 76837 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C/CCCCCCCC)c(C)[n+]2c1CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL2057813 | 76837 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C/CCCCCCCC)c(C)[n+]2c1CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL2079028 | 76837 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C/CCCCCCCC)c(C)[n+]2c1CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| 70692903 | 76854 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 286 | 8 | 0 | 0 | 5.3 | CCCCCCCC/C=C/c1c(C)cc(C)[n+]2c1CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL2064265 | 76854 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 286 | 8 | 0 | 0 | 5.3 | CCCCCCCC/C=C/c1c(C)cc(C)[n+]2c1CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| CHEMBL2079297 | 76854 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 286 | 8 | 0 | 0 | 5.3 | CCCCCCCC/C=C/c1c(C)cc(C)[n+]2c1CCC2 | 10.1016/j.ejmech.2012.07.049 | ||
| 73352528 | 92337 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4.0 | Functional | ChEMBL | 485 | 8 | 2 | 4 | 6.1 | CC(=O)Nc1ccc(CN2CCC(c3ccc(OC(C)C)c(NC(=O)c4ccccc4)c3)CC2)cc1 | 10.1016/j.ejmech.2013.09.004 | ||
| CHEMBL2436714 | 92337 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4.0 | Functional | ChEMBL | 485 | 8 | 2 | 4 | 6.1 | CC(=O)Nc1ccc(CN2CCC(c3ccc(OC(C)C)c(NC(=O)c4ccccc4)c3)CC2)cc1 | 10.1016/j.ejmech.2013.09.004 | ||
| 46225526 | 198051 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 523 | 6 | 0 | 5 | 3.3 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| CHEMBL593520 | 198051 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 523 | 6 | 0 | 5 | 3.3 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2009.11.072 | ||
| 57331306 | 104101 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 600 | 10 | 0 | 4 | 5.7 | CCN(Cc1ccc(Cl)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| CHEMBL3104679 | 104101 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 600 | 10 | 0 | 4 | 5.7 | CCN(Cc1ccc(Cl)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 | 10.1016/j.ejmech.2013.11.013 | ||
| 491775 | 12768 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL1188807 | 12768 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL537424 | 12768 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| 491775 | 12768 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL1188807 | 12768 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| CHEMBL537424 | 12768 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2010.12.109 | ||
| 491775 | 12768 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL1188807 | 12768 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| CHEMBL537424 | 12768 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmc.2010.05.057 | ||
| 491775 | 12768 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL1188807 | 12768 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| CHEMBL537424 | 12768 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2009.11.018 | ||
| 162677463 | 182994 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 857 | 23 | 5 | 11 | 4.1 | CNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)Nc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)cc1 | 10.1016/j.bmc.2016.09.059 | ||
| CHEMBL4800480 | 182994 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 857 | 23 | 5 | 11 | 4.1 | CNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)Nc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)cc1 | 10.1016/j.bmc.2016.09.059 | ||
| CHEMBL5089300 | 213427 | 0 | None | -13 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | None | None | None | CC(C)c1nnc(CCNC(=O)COCC(=O)NCCCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)n1C1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 | 10.1021/acs.jmedchem.1c00408 | ||||
| 90656334 | 110582 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 489 | 8 | 1 | 8 | 3.6 | COC(=O)c1ccc(CN2CCN(c3ccc(OC(C)C)c(NC(=O)c4cnccn4)c3)CC2)cc1 | 10.1016/j.bmcl.2014.03.073 | ||
| CHEMBL3263030 | 110582 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 489 | 8 | 1 | 8 | 3.6 | COC(=O)c1ccc(CN2CCN(c3ccc(OC(C)C)c(NC(=O)c4cnccn4)c3)CC2)cc1 | 10.1016/j.bmcl.2014.03.073 | ||
| 23577328 | 66101 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4.0 | Functional | ChEMBL | 592 | 10 | 3 | 7 | 3.1 | CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)C(=O)N[C@H]([C@H](O)C3CCCCC3)C(=O)N4CCOC)cc2)cc1 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1813454 | 66101 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4.0 | Functional | ChEMBL | 592 | 10 | 3 | 7 | 3.1 | CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)C(=O)N[C@H]([C@H](O)C3CCCCC3)C(=O)N4CCOC)cc2)cc1 | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1851967 | 66101 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4.0 | Functional | ChEMBL | 592 | 10 | 3 | 7 | 3.1 | CNC(=O)c1ccc(Oc2ccc(CN3CCC4(CC3)C(=O)N[C@H]([C@H](O)C3CCCCC3)C(=O)N4CCOC)cc2)cc1 | 10.1016/j.bmc.2011.05.022 | ||
| 60196353 | 81211 | 2 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 | 10.1021/acs.jmedchem.6b01801 | ||
| CHEMBL2163486 | 81211 | 2 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 | 10.1021/acs.jmedchem.6b01801 | ||
| 137643501 | 157848 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 471 | 6 | 1 | 5 | 4.5 | Cc1nnc2n1[C@@H]1CCN(CC[C@H](NC(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]1CC2 | 10.1021/acs.jmedchem.6b01801 | ||
| CHEMBL4089991 | 157848 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 471 | 6 | 1 | 5 | 4.5 | Cc1nnc2n1[C@@H]1CCN(CC[C@H](NC(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]1CC2 | 10.1021/acs.jmedchem.6b01801 | ||
| 137631641 | 156068 | 0 | None | - | 0 | Human | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 471 | 6 | 1 | 5 | 4.5 | Cc1nnc2n1[C@H]1CCN(CC[C@H](NC(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@H]1CC2 | 10.1021/acs.jmedchem.6b01801 | ||
| CHEMBL4068906 | 156068 | 0 | None | - | 0 | Human | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 471 | 6 | 1 | 5 | 4.5 | Cc1nnc2n1[C@H]1CCN(CC[C@H](NC(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@H]1CC2 | 10.1021/acs.jmedchem.6b01801 | ||
| 3009353 | 167462 | 1 | None | - | 0 | Human | 9.0 | pKi | = | 9.0 | Functional | ChEMBL | 531 | 6 | 0 | 5 | 5.7 | CCC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/jm0304515 | ||
| CHEMBL432170 | 167462 | 1 | None | - | 0 | Human | 9.0 | pKi | = | 9.0 | Functional | ChEMBL | 531 | 6 | 0 | 5 | 5.7 | CCC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/jm0304515 | ||
| 3009354 | 203565 | 1 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 579 | 6 | 0 | 5 | 6.1 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](Cc3ccccc3)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0304515 | ||
| CHEMBL79061 | 203565 | 1 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 579 | 6 | 0 | 5 | 6.1 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](Cc3ccccc3)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0304515 | ||
| 3009356 | 105144 | 1 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 543 | 6 | 0 | 5 | 5.7 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](CC3CC3)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0304515 | ||
| CHEMBL312344 | 105144 | 1 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 543 | 6 | 0 | 5 | 5.7 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](CC3CC3)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0304515 | ||
| 3009355 | 3926 | 21 | None | -1 | 2 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 10.1021/jm0304515 | ||
| 807 | 3926 | 21 | None | -1 | 2 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 10.1021/jm0304515 | ||
| CHEMBL82301 | 3926 | 21 | None | -1 | 2 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 10.1021/jm0304515 | ||
| DB06652 | 3926 | 21 | None | -1 | 2 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 10.1021/jm0304515 | ||
| 483747 | 104930 | 2 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 503 | 4 | 0 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0304515 | ||
| CHEMBL311795 | 104930 | 2 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 503 | 4 | 0 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0304515 | ||
| 10436045 | 3460 | 3 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(00)00347-4 | ||
| 782 | 3460 | 3 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL432713 | 3460 | 3 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(00)00347-4 | ||
| 3009352 | 96191 | 1 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 517 | 5 | 0 | 5 | 5.3 | CC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/jm0304515 | ||
| CHEMBL263555 | 96191 | 1 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 517 | 5 | 0 | 5 | 5.3 | CC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/jm0304515 | ||
| 15664 | 83374 | 93 | None | 2 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 184 | 1 | 0 | 2 | 2.8 | Cc1ccc(-c2ccc(C)cn2)nc1 | None | ||
| CHEMBL2205807 | 83374 | 93 | None | 2 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 184 | 1 | 0 | 2 | 2.8 | Cc1ccc(-c2ccc(C)cn2)nc1 | None | ||
| 10585 | 1061 | 1 | None | -1 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 31742400 | ||
| 145996522 | 1061 | 1 | None | -1 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 31742400 | ||
| CHEMBL4531005 | 1061 | 1 | None | -1 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 31742400 | ||
| 10106 | 860 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | 519 | 8 | 1 | 6 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccsc1)CCN1[C@@H]2CC[C@H]1C[C@@H](C2)n1c(C)nnc1C(C)C | 30234300 | ||
| 91820689 | 860 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | 519 | 8 | 1 | 6 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccsc1)CCN1[C@@H]2CC[C@H]1C[C@@H](C2)n1c(C)nnc1C(C)C | 30234300 | ||
| CHEMBL4249798 | 860 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | 519 | 8 | 1 | 6 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccsc1)CCN1[C@@H]2CC[C@H]1C[C@@H](C2)n1c(C)nnc1C(C)C | 30234300 | ||
| 10750 | 2542 | 0 | None | -5011 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | Guide to Pharmacology | 532 | 5 | 2 | 5 | 6.3 | Clc1ccc(cc1)C1(O)CCN(CC1(C)C)CC/C=C\1/c2cc(ccc2OCc2c1cccn2)C(O)(C)C | 17715391 | ||
| 18437138 | 2542 | 0 | None | -5011 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | Guide to Pharmacology | 532 | 5 | 2 | 5 | 6.3 | Clc1ccc(cc1)C1(O)CCN(CC1(C)C)CC/C=C\1/c2cc(ccc2OCc2c1cccn2)C(O)(C)C | 17715391 | ||
| 11597 | 667 | 3 | None | -11 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 34141082 | ||
| 23725180 | 667 | 3 | None | -11 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 34141082 | ||
| CHEMBL4781426 | 667 | 3 | None | -11 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 34141082 | ||
| 769 | 813 | 0 | None | -14 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | Guide to Pharmacology | None | None | None | None | 10477718 | ||||
| 3002977 | 2426 | 70 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 16298345 | ||
| 803 | 2426 | 70 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 16298345 | ||
| 806 | 2426 | 70 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 16298345 | ||
| CHEMBL1201187 | 2426 | 70 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 16298345 | ||
| CHEMBL256907 | 2426 | 70 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 16298345 | ||
| CHEMBL584744 | 2426 | 70 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 16298345 | ||
| DB04835 | 2426 | 70 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 16298345 | ||
| 486830 | 3939 | 0 | None | -6 | 5 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | None | None | None | None | 9287217 | ||||
| 768 | 3939 | 0 | None | -6 | 5 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | None | None | None | None | 9287217 | ||||
| 68764898 | 665 | 1 | None | -3 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 25893046 | ||
| 9430 | 665 | 1 | None | -3 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 25893046 | ||
| CHEMBL3577945 | 665 | 1 | None | -3 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 25893046 | ||
| 3500 | 1498 | 9 | None | 245 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | 483 | 7 | 1 | 5 | 3.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C21CCN(CC2)Cc1ccc2c(c1)OCCO2 | 11454872 | ||
| 491774 | 1498 | 9 | None | 245 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | 483 | 7 | 1 | 5 | 3.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C21CCN(CC2)Cc1ccc2c(c1)OCCO2 | 11454872 | ||
| CHEMBL1196395 | 1498 | 9 | None | 245 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | 483 | 7 | 1 | 5 | 3.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C21CCN(CC2)Cc1ccc2c(c1)OCCO2 | 11454872 | ||
| 5275766 | 3681 | 33 | None | - | 1 | Human | 8.5 | pIC50 | None | 8.5 | Functional | Guide to Pharmacology | 552 | 9 | 1 | 4 | 4.7 | CC(=O)N1CCC(CC1)C(=O)N(c1ccc(c(c1)Cl)C)CCCN1CCC(CC1)Cc1ccc(cc1)C(=O)N | 16640339 | ||
| 800 | 3681 | 33 | None | - | 1 | Human | 8.5 | pIC50 | None | 8.5 | Functional | Guide to Pharmacology | 552 | 9 | 1 | 4 | 4.7 | CC(=O)N1CCC(CC1)C(=O)N(c1ccc(c(c1)Cl)C)CCCN1CCC(CC1)Cc1ccc(cc1)C(=O)N | 16640339 | ||
| CHEMBL207004 | 3681 | 33 | None | - | 1 | Human | 8.5 | pIC50 | None | 8.5 | Functional | Guide to Pharmacology | 552 | 9 | 1 | 4 | 4.7 | CC(=O)N1CCC(CC1)C(=O)N(c1ccc(c(c1)Cl)C)CCCN1CCC(CC1)Cc1ccc(cc1)C(=O)N | 16640339 | ||
| 11285792 | 866 | 30 | None | -3 | 6 | Human | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 16251299 | ||
| 801 | 866 | 30 | None | -3 | 6 | Human | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 16251299 | ||
| CHEMBL2110727 | 866 | 30 | None | -3 | 6 | Human | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 16251299 | ||
| DB11758 | 866 | 30 | None | -3 | 6 | Human | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 16251299 | ||
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| CHEMBL2372983 | 208586 | 0 | None | - | 0 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)c2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O | 10.1016/s0960-894x(00)00664-8 | ||||
| 483407 | 165487 | 18 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 | 10.1039/C6MD00311G | ||
| CHEMBL425618 | 165487 | 18 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 | 10.1039/C6MD00311G | ||
| 129908110 | 155414 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 485 | 9 | 1 | 6 | 5.3 | CC(=O)Oc1ccc(/C=C/C(=O)CCc2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1OC(C)=O | 10.1039/C6MD00311G | ||
| CHEMBL4061273 | 155414 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 485 | 9 | 1 | 6 | 5.3 | CC(=O)Oc1ccc(/C=C/C(=O)CCc2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1OC(C)=O | 10.1039/C6MD00311G | ||
| 129908195 | 158243 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 493 | 11 | 1 | 7 | 4.9 | CC(=O)Oc1ccc(CCC(=O)CCc2ccc(NC(=O)Cc3cccs3)cc2)cc1OC(C)=O | 10.1039/C6MD00311G | ||
| CHEMBL4094196 | 158243 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 493 | 11 | 1 | 7 | 4.9 | CC(=O)Oc1ccc(CCC(=O)CCc2ccc(NC(=O)Cc3cccs3)cc2)cc1OC(C)=O | 10.1039/C6MD00311G | ||
| 129908301 | 156157 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 516 | 10 | 1 | 8 | 4.9 | CC(=O)Oc1ccc(/C=C/C(=O)CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1OC(C)=O | 10.1039/C6MD00311G | ||
| 132519568 | 156157 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 516 | 10 | 1 | 8 | 4.9 | CC(=O)Oc1ccc(/C=C/C(=O)CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1OC(C)=O | 10.1039/C6MD00311G | ||
| CHEMBL4069939 | 156157 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 516 | 10 | 1 | 8 | 4.9 | CC(=O)Oc1ccc(/C=C/C(=O)CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1OC(C)=O | 10.1039/C6MD00311G | ||
| 129908428 | 158407 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 417 | 8 | 3 | 5 | 4.6 | COc1ccc(C(=O)Nc2ccc(CCC(=O)/C=C/c3ccc(O)c(O)c3)cc2)cc1 | 10.1039/C6MD00311G | ||
| CHEMBL4095938 | 158407 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 417 | 8 | 3 | 5 | 4.6 | COc1ccc(C(=O)Nc2ccc(CCC(=O)/C=C/c3ccc(O)c(O)c3)cc2)cc1 | 10.1039/C6MD00311G | ||
| 129908452 | 155491 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 518 | 11 | 1 | 8 | 4.8 | CC(=O)Oc1ccc(CCC(=O)CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1OC(C)=O | 10.1039/C6MD00311G | ||
| CHEMBL4062349 | 155491 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 518 | 11 | 1 | 8 | 4.8 | CC(=O)Oc1ccc(CCC(=O)CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1OC(C)=O | 10.1039/C6MD00311G | ||
| 3002977 | 2426 | 70 | None | -3 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.1c00408 | ||
| 803 | 2426 | 70 | None | -3 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.1c00408 | ||
| 806 | 2426 | 70 | None | -3 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.1c00408 | ||
| CHEMBL1201187 | 2426 | 70 | None | -3 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.1c00408 | ||
| CHEMBL256907 | 2426 | 70 | None | -3 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.1c00408 | ||
| CHEMBL584744 | 2426 | 70 | None | -3 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.1c00408 | ||
| DB04835 | 2426 | 70 | None | -3 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/acs.jmedchem.1c00408 | ||
| 129908456 | 157332 | 0 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 395 | 8 | 3 | 4 | 4.8 | O=C(CCc1ccc(NC(=O)C2CCCCC2)cc1)CCc1ccc(O)c(O)c1 | 10.1039/C6MD00311G | ||
| CHEMBL4083941 | 157332 | 0 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 395 | 8 | 3 | 4 | 4.8 | O=C(CCc1ccc(NC(=O)C2CCCCC2)cc1)CCc1ccc(O)c(O)c1 | 10.1039/C6MD00311G | ||
| 129908453 | 157344 | 0 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 479 | 10 | 1 | 6 | 5.2 | CC(=O)Oc1ccc(CCC(=O)CCc2ccc(NC(=O)C3CCCCC3)cc2)cc1OC(C)=O | 10.1039/C6MD00311G | ||
| CHEMBL4084066 | 157344 | 0 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 479 | 10 | 1 | 6 | 5.2 | CC(=O)Oc1ccc(CCC(=O)CCc2ccc(NC(=O)C3CCCCC3)cc2)cc1OC(C)=O | 10.1039/C6MD00311G | ||
| 129908111 | 157128 | 0 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 501 | 10 | 1 | 7 | 5.0 | COc1ccc(C(=O)Nc2ccc(CCC(=O)/C=C/c3ccc(OC(C)=O)c(OC(C)=O)c3)cc2)cc1 | 10.1039/C6MD00311G | ||
| CHEMBL4081563 | 157128 | 0 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 501 | 10 | 1 | 7 | 5.0 | COc1ccc(C(=O)Nc2ccc(CCC(=O)/C=C/c3ccc(OC(C)=O)c(OC(C)=O)c3)cc2)cc1 | 10.1039/C6MD00311G | ||
| 129908196 | 156488 | 0 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 389 | 8 | 3 | 4 | 4.5 | O=C(CCc1ccc(NC(=O)c2ccccc2)cc1)CCc1ccc(O)c(O)c1 | 10.1039/C6MD00311G | ||
| CHEMBL4073567 | 156488 | 0 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 389 | 8 | 3 | 4 | 4.5 | O=C(CCc1ccc(NC(=O)c2ccccc2)cc1)CCc1ccc(O)c(O)c1 | 10.1039/C6MD00311G | ||
| 129908454 | 157541 | 0 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 487 | 10 | 1 | 6 | 5.2 | CC(=O)Oc1ccc(CCC(=O)CCc2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1OC(C)=O | 10.1039/C6MD00311G | ||
| CHEMBL4086440 | 157541 | 0 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 487 | 10 | 1 | 6 | 5.2 | CC(=O)Oc1ccc(CCC(=O)CCc2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1OC(C)=O | 10.1039/C6MD00311G | ||
| 129908109 | 157797 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 477 | 9 | 1 | 6 | 5.3 | CC(=O)Oc1ccc(/C=C/C(=O)CCc2ccc(NC(=O)C3CCCCC3)cc2)cc1OC(C)=O | 10.1039/C6MD00311G | ||
| CHEMBL4089429 | 157797 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 477 | 9 | 1 | 6 | 5.3 | CC(=O)Oc1ccc(/C=C/C(=O)CCc2ccc(NC(=O)C3CCCCC3)cc2)cc1OC(C)=O | 10.1039/C6MD00311G | ||
| 129908455 | 155720 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 503 | 11 | 1 | 7 | 4.9 | COc1ccc(C(=O)Nc2ccc(CCC(=O)CCc3ccc(OC(C)=O)c(OC(C)=O)c3)cc2)cc1 | 10.1039/C6MD00311G | ||
| CHEMBL4064975 | 155720 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 503 | 11 | 1 | 7 | 4.9 | COc1ccc(C(=O)Nc2ccc(CCC(=O)CCc3ccc(OC(C)=O)c(OC(C)=O)c3)cc2)cc1 | 10.1039/C6MD00311G | ||
| 129908558 | 155632 | 0 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 403 | 8 | 3 | 4 | 4.8 | Cc1ccc(C(=O)Nc2ccc(CCC(=O)CCc3ccc(O)c(O)c3)cc2)cc1 | 10.1039/C6MD00311G | ||
| CHEMBL4063935 | 155632 | 0 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 403 | 8 | 3 | 4 | 4.8 | Cc1ccc(C(=O)Nc2ccc(CCC(=O)CCc3ccc(O)c(O)c3)cc2)cc1 | 10.1039/C6MD00311G | ||
| 129907953 | 158956 | 0 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 434 | 9 | 3 | 6 | 4.4 | O=C(CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)CCc1ccc(O)c(O)c1 | 10.1039/C6MD00311G | ||
| 132519569 | 158956 | 0 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 434 | 9 | 3 | 6 | 4.4 | O=C(CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)CCc1ccc(O)c(O)c1 | 10.1039/C6MD00311G | ||
| CHEMBL4101931 | 158956 | 0 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 434 | 9 | 3 | 6 | 4.4 | O=C(CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)CCc1ccc(O)c(O)c1 | 10.1039/C6MD00311G | ||
| 129908281 | 158028 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 473 | 10 | 1 | 6 | 4.9 | CC(=O)Oc1ccc(CCC(=O)CCc2ccc(NC(=O)c3ccccc3)cc2)cc1OC(C)=O | 10.1039/C6MD00311G | ||
| CHEMBL4091826 | 158028 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 473 | 10 | 1 | 6 | 4.9 | CC(=O)Oc1ccc(CCC(=O)CCc2ccc(NC(=O)c3ccccc3)cc2)cc1OC(C)=O | 10.1039/C6MD00311G | ||
| 129908560 | 156389 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 409 | 9 | 3 | 5 | 4.5 | O=C(CCc1ccc(NC(=O)Cc2cccs2)cc1)CCc1ccc(O)c(O)c1 | 10.1039/C6MD00311G | ||
| CHEMBL4072528 | 156389 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 409 | 9 | 3 | 5 | 4.5 | O=C(CCc1ccc(NC(=O)Cc2cccs2)cc1)CCc1ccc(O)c(O)c1 | 10.1039/C6MD00311G | ||
| CHEMBL5074744 | 212558 | 0 | None | - | 2 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CC(C)c1nnc(CCNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)n1C1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 | 10.1021/acs.jmedchem.1c00408 | ||||
| 483747 | 104930 | 2 | None | 177 | 4 | Human | 11.0 | pIC50 | = | 11 | Binding | ChEMBL | 503 | 4 | 0 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL311795 | 104930 | 2 | None | 177 | 4 | Human | 11.0 | pIC50 | = | 11 | Binding | ChEMBL | 503 | 4 | 0 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 44590586 | 176236 | 0 | None | - | 0 | Human | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | 543 | 10 | 1 | 3 | 6.3 | CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL460845 | 176236 | 0 | None | - | 0 | Human | 10.3 | pIC50 | = | 10.3 | Binding | ChEMBL | 543 | 10 | 1 | 3 | 6.3 | CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 10076141 | 77985 | 0 | None | - | 0 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 546 | 11 | 1 | 3 | 6.5 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL21106 | 77985 | 0 | None | - | 0 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 546 | 11 | 1 | 3 | 6.5 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 10076141 | 77985 | 0 | None | - | 0 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 546 | 11 | 1 | 3 | 6.5 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL21106 | 77985 | 0 | None | - | 0 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 546 | 11 | 1 | 3 | 6.5 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| 10076141 | 77985 | 0 | None | - | 0 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 546 | 11 | 1 | 3 | 6.5 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL21106 | 77985 | 0 | None | - | 0 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 546 | 11 | 1 | 3 | 6.5 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44590681 | 174601 | 0 | None | - | 0 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 553 | 11 | 1 | 5 | 4.4 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL457043 | 174601 | 0 | None | - | 0 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 553 | 11 | 1 | 5 | 4.4 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 44273531 | 74682 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 542 | 11 | 1 | 4 | 6.5 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL20345 | 74682 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 542 | 11 | 1 | 4 | 6.5 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| 501062 | 77381 | 1 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 488 | 11 | 1 | 3 | 6.1 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL20896 | 77381 | 1 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 488 | 11 | 1 | 3 | 6.1 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| 501062 | 77381 | 1 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 488 | 11 | 1 | 3 | 6.1 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL20896 | 77381 | 1 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 488 | 11 | 1 | 3 | 6.1 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 44273531 | 74682 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 542 | 11 | 1 | 4 | 6.5 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL20345 | 74682 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 542 | 11 | 1 | 4 | 6.5 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44332684 | 106696 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 474 | 11 | 1 | 3 | 5.7 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL316475 | 106696 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 474 | 11 | 1 | 3 | 5.7 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 501060 | 108099 | 1 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 474 | 10 | 1 | 3 | 5.7 | O=C(O)[C@@H](C1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL320386 | 108099 | 1 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 474 | 10 | 1 | 3 | 5.7 | O=C(O)[C@@H](C1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 501055 | 4545 | 1 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 502 | 10 | 1 | 3 | 6.5 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| CHEMBL102826 | 4545 | 1 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 502 | 10 | 1 | 3 | 6.5 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| 501062 | 77381 | 1 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 488 | 11 | 1 | 3 | 6.1 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| CHEMBL20896 | 77381 | 1 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 488 | 11 | 1 | 3 | 6.1 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| 44332684 | 106696 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 474 | 11 | 1 | 3 | 5.7 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| CHEMBL316475 | 106696 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 474 | 11 | 1 | 3 | 5.7 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| 501060 | 108099 | 1 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 474 | 10 | 1 | 3 | 5.7 | O=C(O)[C@@H](C1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| CHEMBL320386 | 108099 | 1 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 474 | 10 | 1 | 3 | 5.7 | O=C(O)[C@@H](C1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| 490018 | 111133 | 1 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 568 | 11 | 0 | 6 | 6.1 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(Cc3ccccc3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL328445 | 111133 | 1 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 568 | 11 | 0 | 6 | 6.1 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(Cc3ccccc3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| 3002976 | 205546 | 1 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 634 | 14 | 0 | 7 | 5.9 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@](C)(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL93139 | 205546 | 1 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 634 | 14 | 0 | 7 | 5.9 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@](C)(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| 44373756 | 50348 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 588 | 9 | 0 | 7 | 6.3 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN3OC4(CCCCC4)C[C@H]3[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00835-6 | ||
| CHEMBL157491 | 50348 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 588 | 9 | 0 | 7 | 6.3 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN3OC4(CCCCC4)C[C@H]3[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00835-6 | ||
| 11988311 | 178758 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 451 | 8 | 1 | 5 | 5.2 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CCCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL473558 | 178758 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 451 | 8 | 1 | 5 | 5.2 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CCCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| 44590750 | 176322 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 490 | 10 | 2 | 3 | 5.1 | CCN(C(=O)NCc1ccccc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL461687 | 176322 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 490 | 10 | 2 | 3 | 5.1 | CCN(C(=O)NCc1ccccc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 71451877 | 82159 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 638 | 11 | 0 | 6 | 5.0 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cc(F)cc(F)c2)C2CCC(S(C)(=O)=O)CC2)CC1 | 10.1021/jm300682j | ||
| CHEMBL2178577 | 82159 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 638 | 11 | 0 | 6 | 5.0 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cc(F)cc(F)c2)C2CCC(S(C)(=O)=O)CC2)CC1 | 10.1021/jm300682j | ||
| 44274043 | 76201 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 542 | 11 | 1 | 3 | 6.8 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL20622 | 76201 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 542 | 11 | 1 | 3 | 6.8 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| 44273830 | 79200 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 574 | 11 | 1 | 3 | 7.2 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(C(F)(F)F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL21147 | 79200 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 574 | 11 | 1 | 3 | 7.2 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(C(F)(F)F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| 3002977 | 2426 | 70 | None | -3 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2009.01.008 | ||
| 3002977 | 2426 | 70 | None | -3 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2009.01.009 | ||
| 803 | 2426 | 70 | None | -3 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2009.01.008 | ||
| 803 | 2426 | 70 | None | -3 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2009.01.009 | ||
| 806 | 2426 | 70 | None | -3 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2009.01.008 | ||
| 806 | 2426 | 70 | None | -3 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL1201187 | 2426 | 70 | None | -3 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL1201187 | 2426 | 70 | None | -3 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL256907 | 2426 | 70 | None | -3 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL256907 | 2426 | 70 | None | -3 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL584744 | 2426 | 70 | None | -3 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL584744 | 2426 | 70 | None | -3 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2009.01.009 | ||
| DB04835 | 2426 | 70 | None | -3 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2009.01.008 | ||
| DB04835 | 2426 | 70 | None | -3 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2009.01.009 | ||
| 10414981 | 107655 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 542 | 10 | 2 | 6 | 5.3 | OC1(CCCc2ccc(-c3nnn[nH]3)cc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00605-4 | ||
| CHEMBL319593 | 107655 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 542 | 10 | 2 | 6 | 5.3 | OC1(CCCc2ccc(-c3nnn[nH]3)cc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00605-4 | ||
| 44332341 | 109164 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 556 | 10 | 1 | 7 | 5.3 | Cn1nnnc1-c1ccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00605-4 | ||
| CHEMBL322422 | 109164 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 556 | 10 | 1 | 7 | 5.3 | Cn1nnnc1-c1ccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00605-4 | ||
| 44274043 | 76201 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 542 | 11 | 1 | 3 | 6.8 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL20622 | 76201 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 542 | 11 | 1 | 3 | 6.8 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44273830 | 79200 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 574 | 11 | 1 | 3 | 7.2 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(C(F)(F)F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL21147 | 79200 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 574 | 11 | 1 | 3 | 7.2 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(C(F)(F)F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 10414981 | 107655 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 542 | 10 | 2 | 6 | 5.3 | OC1(CCCc2ccc(-c3nnn[nH]3)cc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL319593 | 107655 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 542 | 10 | 2 | 6 | 5.3 | OC1(CCCc2ccc(-c3nnn[nH]3)cc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 501063 | 206690 | 1 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 488 | 10 | 1 | 3 | 6.1 | O=C(O)[C@@H](C1CCCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL99909 | 206690 | 1 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 488 | 10 | 1 | 3 | 6.1 | O=C(O)[C@@H](C1CCCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 10414981 | 107655 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 542 | 10 | 2 | 6 | 5.3 | OC1(CCCc2ccc(-c3nnn[nH]3)cc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00606-6 | ||
| CHEMBL319593 | 107655 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 542 | 10 | 2 | 6 | 5.3 | OC1(CCCc2ccc(-c3nnn[nH]3)cc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00606-6 | ||
| 501063 | 206690 | 1 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 488 | 10 | 1 | 3 | 6.1 | O=C(O)[C@@H](C1CCCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| CHEMBL99909 | 206690 | 1 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 488 | 10 | 1 | 3 | 6.1 | O=C(O)[C@@H](C1CCCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| 501055 | 4545 | 1 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 502 | 10 | 1 | 3 | 6.5 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL102826 | 4545 | 1 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 502 | 10 | 1 | 3 | 6.5 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2003.12.004 | ||
| 516310 | 59298 | 1 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 642 | 12 | 1 | 6 | 7.1 | CCn1nc(Cc2ccc(OC3CC3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL171958 | 59298 | 1 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 642 | 12 | 1 | 6 | 7.1 | CCn1nc(Cc2ccc(OC3CC3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516257 | 59668 | 1 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 610 | 11 | 1 | 5 | 7.2 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc5ccccc5c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL173400 | 59668 | 1 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 610 | 11 | 1 | 5 | 7.2 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc5ccccc5c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516288 | 60079 | 1 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 610 | 9 | 1 | 5 | 7.2 | CCn1nc(Cc2cccc3ccccc23)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL174927 | 60079 | 1 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 610 | 9 | 1 | 5 | 7.2 | CCn1nc(Cc2cccc3ccccc23)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516256 | 128125 | 1 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 610 | 11 | 1 | 5 | 7.2 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4cccc5ccccc45)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL366770 | 128125 | 1 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 610 | 11 | 1 | 5 | 7.2 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4cccc5ccccc45)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516289 | 131024 | 1 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 610 | 9 | 1 | 5 | 7.2 | CCn1nc(Cc2ccc3ccccc3c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL369235 | 131024 | 1 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 610 | 9 | 1 | 5 | 7.2 | CCn1nc(Cc2ccc3ccccc3c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 490023 | 112019 | 1 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 574 | 10 | 0 | 6 | 5.6 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL329893 | 112019 | 1 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 574 | 10 | 0 | 6 | 5.6 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| 490019 | 167415 | 1 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 582 | 10 | 0 | 6 | 5.7 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)c3ccccc3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL431852 | 167415 | 1 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 582 | 10 | 0 | 6 | 5.7 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)c3ccccc3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| 9916998 | 79576 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 614 | 11 | 0 | 6 | 4.7 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| CHEMBL212731 | 79576 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 614 | 11 | 0 | 6 | 4.7 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| 3010274 | 188634 | 1 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 543 | 10 | 1 | 5 | 6.3 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL511493 | 188634 | 1 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 543 | 10 | 1 | 5 | 6.3 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3010273 | 191359 | 1 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 529 | 10 | 1 | 5 | 5.9 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL520091 | 191359 | 1 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 529 | 10 | 1 | 5 | 5.9 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44342962 | 110729 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 529 | 10 | 1 | 5 | 5.9 | O=C(O)C(CC1CC1)N1CC(c2ccccc2)[C@@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL326487 | 110729 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 529 | 10 | 1 | 5 | 5.9 | O=C(O)C(CC1CC1)N1CC(c2ccccc2)[C@@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| 44342961 | 114037 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 543 | 10 | 1 | 5 | 6.3 | O=C(O)C(CC1CCC1)N1CC(c2ccccc2)[C@@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL333619 | 114037 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 543 | 10 | 1 | 5 | 6.3 | O=C(O)C(CC1CCC1)N1CC(c2ccccc2)[C@@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| 3010274 | 188634 | 1 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 543 | 10 | 1 | 5 | 6.3 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL511493 | 188634 | 1 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 543 | 10 | 1 | 5 | 6.3 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3010273 | 191359 | 1 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 529 | 10 | 1 | 5 | 5.9 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL520091 | 191359 | 1 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 529 | 10 | 1 | 5 | 5.9 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 11285792 | 866 | 30 | None | - | 0 | Mouse | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1016/j.ejmech.2018.01.085 | ||
| 801 | 866 | 30 | None | - | 0 | Mouse | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1016/j.ejmech.2018.01.085 | ||
| CHEMBL2110727 | 866 | 30 | None | - | 0 | Mouse | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1016/j.ejmech.2018.01.085 | ||
| DB11758 | 866 | 30 | None | - | 0 | Mouse | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1016/j.ejmech.2018.01.085 | ||
| 11614352 | 544 | 1 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 639 | 11 | 0 | 6 | 4.1 | CCN(C(=O)Cc1ccc(cc1)S(=O)(=O)C)C1CCN(CC1)CC[C@@H](c1cc(F)cc(c1)F)C1CCN(CC1)S(=O)(=O)C | 10.1016/j.bmcl.2011.12.117 | ||
| 7686 | 544 | 1 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 639 | 11 | 0 | 6 | 4.1 | CCN(C(=O)Cc1ccc(cc1)S(=O)(=O)C)C1CCN(CC1)CC[C@@H](c1cc(F)cc(c1)F)C1CCN(CC1)S(=O)(=O)C | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951914 | 544 | 1 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 639 | 11 | 0 | 6 | 4.1 | CCN(C(=O)Cc1ccc(cc1)S(=O)(=O)C)C1CCN(CC1)CC[C@@H](c1cc(F)cc(c1)F)C1CCN(CC1)S(=O)(=O)C | 10.1016/j.bmcl.2011.12.117 | ||
| 3010264 | 183221 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 557 | 9 | 1 | 5 | 6.7 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL480503 | 183221 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 557 | 9 | 1 | 5 | 6.7 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3010264 | 183221 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 557 | 9 | 1 | 5 | 6.7 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL480503 | 183221 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 557 | 9 | 1 | 5 | 6.7 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3010264 | 183221 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 557 | 9 | 1 | 5 | 6.7 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL480503 | 183221 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 557 | 9 | 1 | 5 | 6.7 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| 10347790 | 78050 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 560 | 11 | 1 | 3 | 6.9 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL21117 | 78050 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 560 | 11 | 1 | 3 | 6.9 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44565720 | 173757 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 570 | 11 | 1 | 3 | 7.5 | O=C(O)[C@@H](CC1CCCCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL455073 | 173757 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 570 | 11 | 1 | 3 | 7.5 | O=C(O)[C@@H](CC1CCCCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 20672370 | 77679 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 531 | 11 | 1 | 4 | 6.1 | N#Cc1ccc(CCCC2CCN(C[C@H]3CN([C@H](CC4CCC4)C(=O)O)C[C@@H]3c3cccc(F)c3)CC2)cc1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL20988 | 77679 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 531 | 11 | 1 | 4 | 6.1 | N#Cc1ccc(CCCC2CCN(C[C@H]3CN([C@H](CC4CCC4)C(=O)O)C[C@@H]3c3cccc(F)c3)CC2)cc1 | 10.1016/s0960-894x(02)00829-6 | ||
| 10347790 | 78050 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 560 | 11 | 1 | 3 | 6.9 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL21117 | 78050 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 560 | 11 | 1 | 3 | 6.9 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| 20672362 | 98977 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 556 | 10 | 1 | 3 | 7.2 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL282921 | 98977 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 556 | 10 | 1 | 3 | 7.2 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| 10369469 | 70006 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 522 | 8 | 1 | 5 | 5.2 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ccc(F)cn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL194497 | 70006 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 522 | 8 | 1 | 5 | 5.2 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ccc(F)cn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 489315 | 106876 | 2 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 474 | 9 | 1 | 3 | 6.1 | OC1(CCCc2ccccc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00605-4 | ||
| CHEMBL317710 | 106876 | 2 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 474 | 9 | 1 | 3 | 6.1 | OC1(CCCc2ccccc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00605-4 | ||
| 10347790 | 78050 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 560 | 11 | 1 | 3 | 6.9 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL21117 | 78050 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 560 | 11 | 1 | 3 | 6.9 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44565720 | 173757 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 570 | 11 | 1 | 3 | 7.5 | O=C(O)[C@@H](CC1CCCCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL455073 | 173757 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 570 | 11 | 1 | 3 | 7.5 | O=C(O)[C@@H](CC1CCCCC1)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 72712598 | 92207 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 591 | 5 | 0 | 4 | 6.6 | Cc1cc(Cl)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435848 | 92207 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 591 | 5 | 0 | 4 | 6.6 | Cc1cc(Cl)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1021/jm401101p | ||
| 516231 | 59540 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 610 | 11 | 1 | 5 | 7.2 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc5ccccc5c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL172894 | 59540 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 610 | 11 | 1 | 5 | 7.2 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc5ccccc5c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516245 | 59547 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 616 | 13 | 1 | 6 | 6.6 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC5CC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL172916 | 59547 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 616 | 13 | 1 | 6 | 6.6 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC5CC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516235 | 59901 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 636 | 12 | 1 | 5 | 7.7 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(-c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL174004 | 59901 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 636 | 12 | 1 | 5 | 7.7 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(-c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516224 | 61326 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 626 | 13 | 1 | 6 | 6.6 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL177127 | 61326 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 626 | 13 | 1 | 6 | 6.6 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516234 | 98543 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 616 | 11 | 1 | 5 | 7.3 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(C(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL279992 | 98543 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 616 | 11 | 1 | 5 | 7.3 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(C(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516233 | 128157 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 602 | 12 | 1 | 5 | 7.2 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(C(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL366868 | 128157 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 602 | 12 | 1 | 5 | 7.2 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(C(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516202 | 129759 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 622 | 11 | 1 | 5 | 7.3 | CCn1nc(Cc2ccc(-c3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL367987 | 129759 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 622 | 11 | 1 | 5 | 7.3 | CCn1nc(Cc2ccc(-c3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516314 | 130161 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 662 | 11 | 1 | 5 | 8.2 | CCn1nc(Cc2ccc(-c3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL368329 | 130161 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 662 | 11 | 1 | 5 | 8.2 | CCn1nc(Cc2ccc(-c3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516216 | 130915 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 616 | 13 | 1 | 6 | 6.6 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC5CC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL369059 | 130915 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 616 | 13 | 1 | 6 | 6.6 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC5CC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516262 | 165811 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 628 | 9 | 1 | 5 | 7.0 | CCn1nc(Cc2ccc(C(F)(F)F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL427493 | 165811 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 628 | 9 | 1 | 5 | 7.0 | CCn1nc(Cc2ccc(C(F)(F)F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516232 | 167966 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 574 | 11 | 1 | 5 | 6.3 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL435472 | 167966 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 574 | 11 | 1 | 5 | 6.3 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 16007088 | 79566 | 14 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 632 | 11 | 0 | 6 | 4.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)cc(F)c2)CC1 | 10.1021/jm300682j | ||
| CHEMBL212689 | 79566 | 14 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 632 | 11 | 0 | 6 | 4.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)cc(F)c2)CC1 | 10.1021/jm300682j | ||
| 16007088 | 79566 | 14 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 632 | 11 | 0 | 6 | 4.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| CHEMBL212689 | 79566 | 14 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 632 | 11 | 0 | 6 | 4.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| 16007088 | 79566 | 14 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 632 | 11 | 0 | 6 | 4.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL212689 | 79566 | 14 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 632 | 11 | 0 | 6 | 4.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 3010271 | 183260 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 527 | 10 | 1 | 5 | 5.8 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL480693 | 183260 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 527 | 10 | 1 | 5 | 5.8 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44590633 | 175630 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 509 | 10 | 1 | 3 | 5.6 | CCN(C(=O)Cc1ccc(Cl)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL459384 | 175630 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 509 | 10 | 1 | 3 | 5.6 | CCN(C(=O)Cc1ccc(Cl)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 3010271 | 183260 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 527 | 10 | 1 | 5 | 5.8 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL480693 | 183260 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 527 | 10 | 1 | 5 | 5.8 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3010271 | 183260 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 527 | 10 | 1 | 5 | 5.8 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL480693 | 183260 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 527 | 10 | 1 | 5 | 5.8 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| 44401488 | 69734 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 532 | 9 | 1 | 5 | 5.6 | CCc1ccn2c(C3CCN(C[C@H]4CN([C@H](CC5CCC5)C(=O)O)C[C@@H]4c4cccc(F)c4)CC3)cnc2c1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL193984 | 69734 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 532 | 9 | 1 | 5 | 5.6 | CCc1ccn2c(C3CCN(C[C@H]4CN([C@H](CC5CCC5)C(=O)O)C[C@@H]4c4cccc(F)c4)CC3)cnc2c1 | 10.1016/j.bmcl.2005.02.030 | ||
| 53260398 | 62534 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 512 | 5 | 0 | 4 | 6.5 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 | 10.1021/jm200279v | ||
| CHEMBL1784385 | 62534 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 512 | 5 | 0 | 4 | 6.5 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 | 10.1021/jm200279v | ||
| 3002977 | 2426 | 70 | None | -3 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| 803 | 2426 | 70 | None | -3 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| 806 | 2426 | 70 | None | -3 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| CHEMBL1201187 | 2426 | 70 | None | -3 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| CHEMBL256907 | 2426 | 70 | None | -3 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| CHEMBL584744 | 2426 | 70 | None | -3 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| DB04835 | 2426 | 70 | None | -3 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| 44565038 | 186275 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 473 | 8 | 1 | 5 | 5.0 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CC(F)(F)C2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL489513 | 186275 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 473 | 8 | 1 | 5 | 5.0 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CC(F)(F)C2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL491679 | 186275 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 473 | 8 | 1 | 5 | 5.0 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CC(F)(F)C2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| 3010268 | 78310 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 526 | 10 | 2 | 4 | 5.5 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3c[nH]c(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL2112559 | 78310 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 526 | 10 | 2 | 4 | 5.5 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3c[nH]c(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| 44273996 | 75210 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 526 | 11 | 2 | 4 | 5.5 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL20453 | 75210 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 526 | 11 | 2 | 4 | 5.5 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44565673 | 177067 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 556 | 10 | 1 | 7 | 5.3 | Cn1nnc(-c2ccc(CCCC3(O)CCN(C[C@H]4CN(CC5CCCCC5)C[C@@H]4c4ccccc4)CC3)cc2)n1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL464132 | 177067 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 556 | 10 | 1 | 7 | 5.3 | Cn1nnc(-c2ccc(CCCC3(O)CCN(C[C@H]4CN(CC5CCCCC5)C[C@@H]4c4ccccc4)CC3)cc2)n1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44273996 | 75210 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 526 | 11 | 2 | 4 | 5.5 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL20453 | 75210 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 526 | 11 | 2 | 4 | 5.5 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| 44273888 | 98313 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 558 | 11 | 1 | 4 | 5.5 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC[S+]([O-])c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL278117 | 98313 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 558 | 11 | 1 | 4 | 5.5 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC[S+]([O-])c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| 44357079 | 118836 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 541 | 11 | 1 | 6 | 4.8 | CCCN(c1ncc(F)cn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL344261 | 118836 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 541 | 11 | 1 | 6 | 4.8 | CCCN(c1ncc(F)cn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 3001322 | 439 | 19 | None | - | 1 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.ejmech.2018.01.085 | ||
| 805 | 439 | 19 | None | - | 1 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.ejmech.2018.01.085 | ||
| CHEMBL1255794 | 439 | 19 | None | - | 1 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.ejmech.2018.01.085 | ||
| DB06497 | 439 | 19 | None | - | 1 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.ejmech.2018.01.085 | ||
| 44332489 | 4686 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 557 | 10 | 2 | 5 | 4.7 | C[n+]1n[nH]c(-c2ccc(CCCC3(O)CCN(C[C@H]4CN(CC5CCCCC5)C[C@@H]4c4ccccc4)CC3)cc2)n1 | 10.1016/s0960-894x(02)00605-4 | ||
| CHEMBL103790 | 4686 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 557 | 10 | 2 | 5 | 4.7 | C[n+]1n[nH]c(-c2ccc(CCCC3(O)CCN(C[C@H]4CN(CC5CCCCC5)C[C@@H]4c4ccccc4)CC3)cc2)n1 | 10.1016/s0960-894x(02)00605-4 | ||
| 44273996 | 75210 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 526 | 11 | 2 | 4 | 5.5 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL20453 | 75210 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 526 | 11 | 2 | 4 | 5.5 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44565673 | 177067 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 556 | 10 | 1 | 7 | 5.3 | Cn1nnc(-c2ccc(CCCC3(O)CCN(C[C@H]4CN(CC5CCCCC5)C[C@@H]4c4ccccc4)CC3)cc2)n1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL464132 | 177067 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 556 | 10 | 1 | 7 | 5.3 | Cn1nnc(-c2ccc(CCCC3(O)CCN(C[C@H]4CN(CC5CCCCC5)C[C@@H]4c4ccccc4)CC3)cc2)n1 | 10.1016/j.ejmech.2008.01.040 | ||
| 58834969 | 92216 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 586 | 8 | 1 | 6 | 5.9 | Cc1nc(Sc2ccc(C(=O)O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435857 | 92216 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 586 | 8 | 1 | 6 | 5.9 | Cc1nc(Sc2ccc(C(=O)O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 516292 | 59962 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 616 | 9 | 1 | 5 | 7.3 | CCn1nc(Cc2ccc(C(C)(C)C)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL174214 | 59962 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 616 | 9 | 1 | 5 | 7.3 | CCn1nc(Cc2ccc(C(C)(C)C)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516201 | 60141 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 608 | 12 | 1 | 6 | 6.2 | CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL175348 | 60141 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 608 | 12 | 1 | 6 | 6.2 | CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F | 10.1016/j.bmcl.2003.12.006 | ||
| 516246 | 60746 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 630 | 13 | 1 | 6 | 7.0 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC5CCC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL176459 | 60746 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 630 | 13 | 1 | 6 | 7.0 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC5CCC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516255 | 60953 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 622 | 13 | 1 | 6 | 6.6 | CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL176669 | 60953 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 622 | 13 | 1 | 6 | 6.6 | CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F | 10.1016/j.bmcl.2003.12.006 | ||
| 516279 | 96032 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 652 | 11 | 1 | 6 | 7.8 | CCn1nc(Cc2ccc(Oc3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL262402 | 96032 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 652 | 11 | 1 | 6 | 7.8 | CCn1nc(Cc2ccc(Oc3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516230 | 127947 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 610 | 11 | 1 | 5 | 7.2 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4cccc5ccccc45)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL366611 | 127947 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 610 | 11 | 1 | 5 | 7.2 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4cccc5ccccc45)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516274 | 128160 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 616 | 11 | 1 | 6 | 6.6 | CCn1nc(Cc2ccc(OC3CC3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL366873 | 128160 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 616 | 11 | 1 | 6 | 6.6 | CCn1nc(Cc2ccc(OC3CC3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516221 | 132049 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 652 | 13 | 1 | 6 | 7.8 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(Oc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL369812 | 132049 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 652 | 13 | 1 | 6 | 7.8 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(Oc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516271 | 167694 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 604 | 11 | 1 | 6 | 6.4 | CCOc1cccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)c1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL433793 | 167694 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 604 | 11 | 1 | 6 | 6.4 | CCOc1cccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)c1 | 10.1016/j.bmcl.2003.12.006 | ||
| 20664161 | 78598 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 504 | 8 | 1 | 5 | 5.0 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ccccn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL2113086 | 78598 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 504 | 8 | 1 | 5 | 5.0 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ccccn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 3002977 | 2426 | 70 | None | -3 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| 803 | 2426 | 70 | None | -3 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| 806 | 2426 | 70 | None | -3 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| CHEMBL1201187 | 2426 | 70 | None | -3 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| CHEMBL256907 | 2426 | 70 | None | -3 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| CHEMBL584744 | 2426 | 70 | None | -3 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| DB04835 | 2426 | 70 | None | -3 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| 57391721 | 70719 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 617 | 11 | 0 | 6 | 4.1 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cccc(C)c2)C2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951913 | 70719 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 617 | 11 | 0 | 6 | 4.1 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cccc(C)c2)C2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 3009355 | 3926 | 21 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 10.1021/jm300682j | ||
| 807 | 3926 | 21 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 10.1021/jm300682j | ||
| CHEMBL82301 | 3926 | 21 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 10.1021/jm300682j | ||
| DB06652 | 3926 | 21 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 10.1021/jm300682j | ||
| 44590634 | 174233 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 543 | 10 | 1 | 3 | 6.0 | CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL456226 | 174233 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 543 | 10 | 1 | 3 | 6.0 | CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 44565080 | 186501 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 473 | 8 | 1 | 5 | 5.0 | Cc1nnc(C(C)C)n1C1CCN([C@H](C)C[C@H](NC(=O)C2CC(F)(F)C2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL491319 | 186501 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 473 | 8 | 1 | 5 | 5.0 | Cc1nnc(C(C)C)n1C1CCN([C@H](C)C[C@H](NC(=O)C2CC(F)(F)C2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| 20672360 | 76965 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 534 | 10 | 1 | 3 | 6.4 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL20831 | 76965 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 534 | 10 | 1 | 3 | 6.4 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| 20672386 | 98302 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 506 | 11 | 1 | 3 | 6.2 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL278085 | 98302 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 506 | 11 | 1 | 3 | 6.2 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| 44273888 | 98313 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 558 | 11 | 1 | 4 | 5.5 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC[S+]([O-])c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL278117 | 98313 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 558 | 11 | 1 | 4 | 5.5 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC[S+]([O-])c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| 44590440 | 178625 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 487 | 6 | 0 | 3 | 5.2 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)C(=O)C3CC3)CC2)CC1 | 10.1016/j.bmcl.2009.01.012 | ||
| CHEMBL472464 | 178625 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 487 | 6 | 0 | 3 | 5.2 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)C(=O)C3CC3)CC2)CC1 | 10.1016/j.bmcl.2009.01.012 | ||
| 44357078 | 118896 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 591 | 11 | 1 | 6 | 5.7 | CCCN(c1ncc(C(F)(F)F)cn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL344641 | 118896 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 591 | 11 | 1 | 6 | 5.7 | CCCN(c1ncc(C(F)(F)F)cn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 44401956 | 133055 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 572 | 8 | 1 | 5 | 6.3 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4c(Cl)cc(Cl)cn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL371177 | 133055 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 572 | 8 | 1 | 5 | 6.3 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4c(Cl)cc(Cl)cn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 20672386 | 98302 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 506 | 11 | 1 | 3 | 6.2 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL278085 | 98302 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 506 | 11 | 1 | 3 | 6.2 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44565742 | 178541 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 548 | 11 | 1 | 3 | 6.8 | CC(C)C[C@H](C(=O)O)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL471920 | 178541 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 548 | 11 | 1 | 3 | 6.8 | CC(C)C[C@H](C(=O)O)N1C[C@H](CN2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 10163007 | 94655 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 482 | 5 | 0 | 4 | 6.0 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL255429 | 94655 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 482 | 5 | 0 | 4 | 6.0 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 501046 | 109187 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 5.6 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| CHEMBL322603 | 109187 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 5.6 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| 72714079 | 92245 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 565 | 8 | 1 | 4 | 6.1 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435886 | 92245 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 565 | 8 | 1 | 4 | 6.1 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 516311 | 59596 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 658 | 11 | 1 | 6 | 7.7 | CCn1nc(Cc2ccc(OC(C)(C)C)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL173091 | 59596 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 658 | 11 | 1 | 6 | 7.7 | CCn1nc(Cc2ccc(OC(C)(C)C)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516312 | 59687 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 678 | 12 | 1 | 6 | 8.4 | CCn1nc(Cc2ccc(Oc3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL173479 | 59687 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 678 | 12 | 1 | 6 | 8.4 | CCn1nc(Cc2ccc(Oc3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516192 | 59714 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 618 | 14 | 1 | 6 | 6.8 | CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL173583 | 59714 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 618 | 14 | 1 | 6 | 6.8 | CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516282 | 60085 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 626 | 11 | 1 | 6 | 6.6 | CCn1nc(Cc2ccc(OC(F)F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL174996 | 60085 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 626 | 11 | 1 | 6 | 6.6 | CCn1nc(Cc2ccc(OC(F)F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516228 | 60099 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 615 | 12 | 1 | 7 | 5.9 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC)c(C#N)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL175079 | 60099 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 615 | 12 | 1 | 7 | 5.9 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC)c(C#N)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516227 | 60139 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 604 | 11 | 1 | 7 | 5.8 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc5c(c4)OCO5)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL175341 | 60139 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 604 | 11 | 1 | 7 | 5.8 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc5c(c4)OCO5)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516313 | 60806 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 602 | 10 | 2 | 6 | 6.3 | CCn1nc(Cc2ccc(O)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL176528 | 60806 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 602 | 10 | 2 | 6 | 6.3 | CCn1nc(Cc2ccc(O)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 44385583 | 61171 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 578 | 9 | 1 | 5 | 6.2 | CCn1nc(Cc2ccccc2F)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL177071 | 61171 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 578 | 9 | 1 | 5 | 6.2 | CCn1nc(Cc2ccccc2F)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516251 | 96444 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 658 | 13 | 1 | 6 | 7.0 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OCC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL265723 | 96444 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 658 | 13 | 1 | 6 | 7.0 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OCC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516205 | 127946 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 628 | 11 | 1 | 5 | 7.0 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(C(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL366610 | 127946 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 628 | 11 | 1 | 5 | 7.0 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(C(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516259 | 129208 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 636 | 12 | 1 | 5 | 7.7 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(-c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL367416 | 129208 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 636 | 12 | 1 | 5 | 7.7 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(-c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 44384782 | 129672 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 589 | 12 | 2 | 6 | 6.1 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4cccc(NC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL367897 | 129672 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 589 | 12 | 2 | 6 | 6.1 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4cccc(NC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516248 | 129763 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 666 | 14 | 1 | 6 | 7.6 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OCc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL368000 | 129763 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 666 | 14 | 1 | 6 | 7.6 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OCc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516198 | 131302 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 612 | 12 | 1 | 6 | 6.2 | CCn1nc(Cc2ccc(OC(F)F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL369398 | 131302 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 612 | 12 | 1 | 6 | 6.2 | CCn1nc(Cc2ccc(OC(F)F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516237 | 131379 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 628 | 11 | 1 | 5 | 7.0 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(C(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL369478 | 131379 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 628 | 11 | 1 | 5 | 7.0 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(C(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516249 | 131586 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 652 | 13 | 1 | 6 | 7.8 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(Oc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL369593 | 131586 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 652 | 13 | 1 | 6 | 7.8 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(Oc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 3010272 | 188862 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 517 | 9 | 1 | 5 | 5.7 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL513564 | 188862 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 517 | 9 | 1 | 5 | 5.7 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3010272 | 188862 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 517 | 9 | 1 | 5 | 5.7 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL513564 | 188862 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 517 | 9 | 1 | 5 | 5.7 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| 3010272 | 188862 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 517 | 9 | 1 | 5 | 5.7 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL513564 | 188862 | 1 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 517 | 9 | 1 | 5 | 5.7 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44564930 | 178784 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 465 | 8 | 1 | 5 | 5.6 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CCCCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL473759 | 178784 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 465 | 8 | 1 | 5 | 5.6 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CCCCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| 57391722 | 70721 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 637 | 11 | 0 | 6 | 4.4 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cccc(Cl)c2)C2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951917 | 70721 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 637 | 11 | 0 | 6 | 4.4 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cccc(Cl)c2)C2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 44565761 | 187733 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 554 | 11 | 2 | 4 | 6.1 | CCc1nc(Cc2ccccc2)[nH]c1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL500631 | 187733 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 554 | 11 | 2 | 4 | 6.1 | CCc1nc(Cc2ccccc2)[nH]c1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3010275 | 78309 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 572 | 11 | 2 | 4 | 6.2 | CCc1[nH]c(Cc2ccccc2)nc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL2112558 | 78309 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 572 | 11 | 2 | 4 | 6.2 | CCc1[nH]c(Cc2ccccc2)nc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2004.04.078 | ||
| 44565761 | 187733 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 554 | 11 | 2 | 4 | 6.1 | CCc1nc(Cc2ccccc2)[nH]c1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL500631 | 187733 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 554 | 11 | 2 | 4 | 6.1 | CCc1nc(Cc2ccccc2)[nH]c1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44565762 | 178616 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 560 | 10 | 2 | 4 | 6.2 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3[nH]c(Cc4ccccc4)nc3Cl)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL472412 | 178616 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 560 | 10 | 2 | 4 | 6.2 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3[nH]c(Cc4ccccc4)nc3Cl)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44401965 | 70974 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 549 | 9 | 1 | 7 | 4.9 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ccc([N+](=O)[O-])cn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL195753 | 70974 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 549 | 9 | 1 | 7 | 4.9 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ccc([N+](=O)[O-])cn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 44565762 | 178616 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 560 | 10 | 2 | 4 | 6.2 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3[nH]c(Cc4ccccc4)nc3Cl)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL472412 | 178616 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 560 | 10 | 2 | 4 | 6.2 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3[nH]c(Cc4ccccc4)nc3Cl)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3008904 | 198283 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 537 | 6 | 0 | 5 | 5.0 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3cccc(C#N)c3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL59511 | 198283 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 537 | 6 | 0 | 5 | 5.0 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3cccc(C#N)c3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 58834906 | 92212 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 604 | 8 | 1 | 6 | 6.2 | Cc1nc(Oc2ccc(C(=O)O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2cccc(Cl)c2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435853 | 92212 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 604 | 8 | 1 | 6 | 6.2 | Cc1nc(Oc2ccc(C(=O)O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2cccc(Cl)c2)CC1 | 10.1021/jm401101p | ||
| 3010276 | 78308 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 578 | 10 | 2 | 4 | 6.3 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3[nH]c(Cc4ccccc4)nc3Cl)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL2112557 | 78308 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 578 | 10 | 2 | 4 | 6.3 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3[nH]c(Cc4ccccc4)nc3Cl)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| 516337 | 129657 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 596 | 12 | 1 | 5 | 7.0 | CCCn1ncc(CCc2ccccc2)c1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL367837 | 129657 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 596 | 12 | 1 | 5 | 7.0 | CCCn1ncc(CCc2ccccc2)c1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| 516333 | 119834 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 582 | 11 | 1 | 5 | 6.6 | CCn1ncc(CCc2ccccc2)c1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL352981 | 119834 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 582 | 11 | 1 | 5 | 6.6 | CCn1ncc(CCc2ccccc2)c1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| 516293 | 59384 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 636 | 10 | 1 | 5 | 7.7 | CCn1nc(Cc2ccc(-c3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL172296 | 59384 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 636 | 10 | 1 | 5 | 7.7 | CCn1nc(Cc2ccc(-c3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516194 | 59635 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 616 | 12 | 1 | 6 | 6.6 | CCn1nc(Cc2ccc(OC3CCC3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL173254 | 59635 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 616 | 12 | 1 | 6 | 6.6 | CCn1nc(Cc2ccc(OC3CCC3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516280 | 60741 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 644 | 10 | 1 | 6 | 6.9 | CCn1nc(Cc2ccc(OC(F)(F)F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL176426 | 60741 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 644 | 10 | 1 | 6 | 6.9 | CCn1nc(Cc2ccc(OC(F)(F)F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516223 | 61049 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 658 | 13 | 1 | 6 | 7.0 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OCC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL176933 | 61049 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 658 | 13 | 1 | 6 | 7.0 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OCC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516199 | 96069 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 562 | 10 | 2 | 6 | 5.3 | CCn1nc(Cc2ccc(O)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL262663 | 96069 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 562 | 10 | 2 | 6 | 5.3 | CCn1nc(Cc2ccc(O)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516291 | 96189 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 602 | 10 | 1 | 5 | 7.2 | CCn1nc(Cc2ccc(C(C)C)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL263529 | 96189 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 602 | 10 | 1 | 5 | 7.2 | CCn1nc(Cc2ccc(C(C)C)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516252 | 129298 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 626 | 13 | 1 | 6 | 6.6 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL367560 | 129298 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 626 | 13 | 1 | 6 | 6.6 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516212 | 129562 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 604 | 13 | 1 | 6 | 6.4 | CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL367700 | 129562 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 604 | 13 | 1 | 6 | 6.4 | CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516209 | 130192 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 700 | 13 | 1 | 7 | 6.9 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(S(=O)(=O)c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL368467 | 130192 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 700 | 13 | 1 | 7 | 6.9 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(S(=O)(=O)c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516290 | 131407 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 574 | 9 | 1 | 5 | 6.3 | CCn1nc(Cc2ccc(C)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL369494 | 131407 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 574 | 9 | 1 | 5 | 6.3 | CCn1nc(Cc2ccc(C)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516250 | 131610 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 644 | 12 | 1 | 6 | 6.9 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL369659 | 131610 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 644 | 12 | 1 | 6 | 6.9 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516253 | 157663 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 576 | 11 | 2 | 6 | 5.7 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(O)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL408800 | 157663 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 576 | 11 | 2 | 6 | 5.7 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(O)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516196 | 165529 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 638 | 12 | 1 | 6 | 7.4 | CCn1nc(Cc2ccc(Oc3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL425845 | 165529 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 638 | 12 | 1 | 6 | 7.4 | CCn1nc(Cc2ccc(Oc3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516281 | 165745 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 658 | 11 | 1 | 6 | 7.0 | CCn1nc(Cc2ccc(OCC(F)(F)F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL427122 | 165745 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 658 | 11 | 1 | 6 | 7.0 | CCn1nc(Cc2ccc(OCC(F)(F)F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 3010261 | 191785 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 540 | 9 | 2 | 4 | 5.9 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL520755 | 191785 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 540 | 9 | 2 | 4 | 5.9 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3010261 | 191785 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 540 | 9 | 2 | 4 | 5.9 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL520755 | 191785 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 540 | 9 | 2 | 4 | 5.9 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3010261 | 191785 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 540 | 9 | 2 | 4 | 5.9 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL520755 | 191785 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 540 | 9 | 2 | 4 | 5.9 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| 57403932 | 70718 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 621 | 11 | 0 | 6 | 3.9 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cccc(F)c2)C2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951912 | 70718 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 621 | 11 | 0 | 6 | 3.9 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cccc(F)c2)C2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 57396952 | 70720 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 655 | 11 | 0 | 6 | 4.6 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cc(F)cc(Cl)c2)C2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951915 | 70720 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 655 | 11 | 0 | 6 | 4.6 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cc(F)cc(Cl)c2)C2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 501056 | 106986 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 462 | 10 | 1 | 3 | 5.5 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL318406 | 106986 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 462 | 10 | 1 | 3 | 5.5 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 501056 | 106986 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 462 | 10 | 1 | 3 | 5.5 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL318406 | 106986 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 462 | 10 | 1 | 3 | 5.5 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3008917 | 201096 | 4 | None | - | 0 | Crab-eating macaque | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 481 | 5 | 0 | 3 | 6.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL62152 | 201096 | 4 | None | - | 0 | Crab-eating macaque | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 481 | 5 | 0 | 3 | 6.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 501056 | 106986 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 462 | 10 | 1 | 3 | 5.5 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| CHEMBL318406 | 106986 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 462 | 10 | 1 | 3 | 5.5 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| 58835217 | 92215 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 584 | 9 | 1 | 6 | 5.8 | CCc1nc(Oc2ccc(C(=O)O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435856 | 92215 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 584 | 9 | 1 | 6 | 5.8 | CCc1nc(Oc2ccc(C(=O)O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 44415755 | 138170 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 451 | 9 | 2 | 3 | 4.0 | O=C(Cc1ccc(F)cc1)NC1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2006.06.012 | ||
| CHEMBL377914 | 138170 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 451 | 9 | 2 | 3 | 4.0 | O=C(Cc1ccc(F)cc1)NC1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2006.06.012 | ||
| 3010279 | 78303 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 564 | 10 | 2 | 4 | 5.9 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(c3[nH]c(Cc4ccccc4)nc3Cl)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL2112552 | 78303 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 564 | 10 | 2 | 4 | 5.9 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(c3[nH]c(Cc4ccccc4)nc3Cl)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| 516285 | 59392 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 604 | 9 | 1 | 7 | 5.8 | CCn1nc(Cc2ccc3c(c2)OCO3)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL172322 | 59392 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 604 | 9 | 1 | 7 | 5.8 | CCn1nc(Cc2ccc3c(c2)OCO3)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516229 | 59648 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 622 | 13 | 1 | 6 | 6.6 | CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL173308 | 59648 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 622 | 13 | 1 | 6 | 6.6 | CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F | 10.1016/j.bmcl.2003.12.006 | ||
| 516308 | 60146 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 644 | 13 | 1 | 6 | 7.4 | CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C5CCCCC5)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL175394 | 60146 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 644 | 13 | 1 | 6 | 7.4 | CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C5CCCCC5)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516275 | 61104 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 630 | 11 | 1 | 6 | 7.0 | CCn1nc(Cc2ccc(OC3CCC3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL177033 | 61104 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 630 | 11 | 1 | 6 | 7.0 | CCn1nc(Cc2ccc(OC3CCC3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516220 | 61793 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 666 | 14 | 1 | 6 | 7.6 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OCc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL177648 | 61793 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 666 | 14 | 1 | 6 | 7.6 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OCc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516287 | 119487 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 622 | 11 | 1 | 6 | 6.6 | CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL349974 | 119487 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 622 | 11 | 1 | 6 | 6.6 | CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F | 10.1016/j.bmcl.2003.12.006 | ||
| 516276 | 130139 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 618 | 11 | 1 | 6 | 6.8 | CCn1nc(Cc2ccc(OC(C)C)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL368204 | 130139 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 618 | 11 | 1 | 6 | 6.8 | CCn1nc(Cc2ccc(OC(C)C)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516269 | 167979 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 590 | 10 | 1 | 6 | 6.0 | CCn1nc(Cc2cccc(OC)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL435554 | 167979 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 590 | 10 | 1 | 6 | 6.0 | CCn1nc(Cc2cccc(OC)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 3010267 | 78311 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 512 | 10 | 2 | 4 | 5.1 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(c3c[nH]c(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL2112560 | 78311 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 512 | 10 | 2 | 4 | 5.1 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(c3c[nH]c(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| 44461741 | 167490 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 619 | 14 | 1 | 6 | 5.3 | C=CCN(C(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL432360 | 167490 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 619 | 14 | 1 | 6 | 5.3 | C=CCN(C(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 76330829 | 85187 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 605 | 13 | 1 | 6 | 5.6 | C=CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL2282506 | 85187 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 605 | 13 | 1 | 6 | 5.6 | C=CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 16073660 | 79368 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 596 | 11 | 0 | 6 | 4.6 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccccc2)c2ccc(S(C)(=O)=O)cc2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| CHEMBL211866 | 79368 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 596 | 11 | 0 | 6 | 4.6 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccccc2)c2ccc(S(C)(=O)=O)cc2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| 44565853 | 178455 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 571 | 11 | 1 | 5 | 6.8 | CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL471251 | 178455 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 571 | 11 | 1 | 5 | 6.8 | CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3010278 | 78304 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 589 | 11 | 1 | 5 | 7.0 | CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL2112553 | 78304 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 589 | 11 | 1 | 5 | 7.0 | CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2004.04.078 | ||
| 44565853 | 178455 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 571 | 11 | 1 | 5 | 6.8 | CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL471251 | 178455 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 571 | 11 | 1 | 5 | 6.8 | CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 76327166 | 85190 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 620 | 14 | 1 | 6 | 5.1 | CCCN(C(=O)OCc1cccc(C(N)=O)c1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL2282509 | 85190 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 620 | 14 | 1 | 6 | 5.1 | CCCN(C(=O)OCc1cccc(C(N)=O)c1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 501051 | 4420 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 512 | 10 | 2 | 4 | 5.4 | O=C(O)[C@@H](c1ccccc1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL101961 | 4420 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 512 | 10 | 2 | 4 | 5.4 | O=C(O)[C@@H](c1ccccc1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 516260 | 59528 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 560 | 9 | 1 | 5 | 6.0 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL172854 | 59528 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 560 | 9 | 1 | 5 | 6.0 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44273960 | 98768 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 524 | 11 | 1 | 3 | 6.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL281607 | 98768 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 524 | 11 | 1 | 3 | 6.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44565719 | 178539 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 530 | 11 | 1 | 4 | 6.4 | CC(C)C[C@H](C(=O)O)N1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL471909 | 178539 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 530 | 11 | 1 | 4 | 6.4 | CC(C)C[C@H](C(=O)O)N1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 516342 | 188651 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 541 | 9 | 1 | 5 | 6.2 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)no3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL511634 | 188651 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 541 | 9 | 1 | 5 | 6.2 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)no3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44274108 | 98697 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 516 | 10 | 1 | 4 | 6.0 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL281176 | 98697 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 516 | 10 | 1 | 4 | 6.0 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| 44273960 | 98768 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 524 | 11 | 1 | 3 | 6.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL281607 | 98768 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 524 | 11 | 1 | 3 | 6.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| 490022 | 111104 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 588 | 10 | 0 | 6 | 6.0 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00835-6 | ||
| CHEMBL328260 | 111104 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 588 | 10 | 0 | 6 | 6.0 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00835-6 | ||
| 44357072 | 98040 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 553 | 12 | 1 | 7 | 4.7 | CCCN(c1nccc(OC)n1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL275998 | 98040 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 553 | 12 | 1 | 7 | 4.7 | CCCN(c1nccc(OC)n1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 490020 | 111113 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 616 | 10 | 0 | 6 | 6.4 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL328297 | 111113 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 616 | 10 | 0 | 6 | 6.4 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 20664149 | 69503 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 580 | 9 | 1 | 5 | 6.7 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ccc(-c5ccccc5)cn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL193822 | 69503 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 580 | 9 | 1 | 5 | 6.7 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ccc(-c5ccccc5)cn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 516260 | 59528 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 560 | 9 | 1 | 5 | 6.0 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.005 | ||
| CHEMBL172854 | 59528 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 560 | 9 | 1 | 5 | 6.0 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.005 | ||
| 516236 | 167978 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 560 | 11 | 1 | 5 | 6.0 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.005 | ||
| CHEMBL435538 | 167978 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 560 | 11 | 1 | 5 | 6.0 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.005 | ||
| 490020 | 111113 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 616 | 10 | 0 | 6 | 6.4 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00605-4 | ||
| CHEMBL328297 | 111113 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 616 | 10 | 0 | 6 | 6.4 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00605-4 | ||
| 501051 | 4420 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 512 | 10 | 2 | 4 | 5.4 | O=C(O)[C@@H](c1ccccc1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL101961 | 4420 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 512 | 10 | 2 | 4 | 5.4 | O=C(O)[C@@H](c1ccccc1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 516260 | 59528 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 560 | 9 | 1 | 5 | 6.0 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL172854 | 59528 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 560 | 9 | 1 | 5 | 6.0 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44273960 | 98768 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 524 | 11 | 1 | 3 | 6.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL281607 | 98768 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 524 | 11 | 1 | 3 | 6.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44565719 | 178539 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 530 | 11 | 1 | 4 | 6.4 | CC(C)C[C@H](C(=O)O)N1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL471909 | 178539 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 530 | 11 | 1 | 4 | 6.4 | CC(C)C[C@H](C(=O)O)N1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 516342 | 188651 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 541 | 9 | 1 | 5 | 6.2 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)no3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL511634 | 188651 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 541 | 9 | 1 | 5 | 6.2 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)no3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44447734 | 94696 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 523 | 5 | 0 | 5 | 6.1 | CC1(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CCN(C(=O)c2c(Cl)cncc2Cl)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL255644 | 94696 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 523 | 5 | 0 | 5 | 6.1 | CC1(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CCN(C(=O)c2c(Cl)cncc2Cl)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 10413034 | 94737 | 0 | None | - | 0 | Crab-eating macaque | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 483 | 5 | 0 | 5 | 5.4 | Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL255856 | 94737 | 0 | None | - | 0 | Crab-eating macaque | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 483 | 5 | 0 | 5 | 5.4 | Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 501051 | 4420 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 512 | 10 | 2 | 4 | 5.4 | O=C(O)[C@@H](c1ccccc1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| CHEMBL101961 | 4420 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 512 | 10 | 2 | 4 | 5.4 | O=C(O)[C@@H](c1ccccc1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| 486605 | 103885 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 654 | 14 | 1 | 6 | 5.7 | CCCN(C(=O)OCc1cccc(C(N)=O)c1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL310106 | 103885 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 654 | 14 | 1 | 6 | 5.7 | CCCN(C(=O)OCc1cccc(C(N)=O)c1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 44384927 | 167997 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 541 | 9 | 1 | 5 | 6.2 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3oncc3Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL435709 | 167997 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 541 | 9 | 1 | 5 | 6.2 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3oncc3Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2003.12.004 | ||
| 516197 | 59311 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 630 | 11 | 1 | 6 | 6.5 | CCn1nc(Cc2ccc(OC(F)(F)F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL172013 | 59311 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 630 | 11 | 1 | 6 | 6.5 | CCn1nc(Cc2ccc(OC(F)(F)F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516309 | 59394 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 658 | 14 | 1 | 6 | 7.7 | CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C5CCCCC5)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL172327 | 59394 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 658 | 14 | 1 | 6 | 7.7 | CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C5CCCCC5)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516260 | 59528 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 560 | 9 | 1 | 5 | 6.0 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL172854 | 59528 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 560 | 9 | 1 | 5 | 6.0 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516273 | 60149 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 632 | 13 | 1 | 6 | 7.2 | CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL175424 | 60149 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 632 | 13 | 1 | 6 | 7.2 | CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516218 | 60936 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 618 | 13 | 1 | 6 | 6.8 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL176624 | 60936 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 618 | 13 | 1 | 6 | 6.8 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516244 | 61399 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 632 | 15 | 1 | 6 | 7.2 | CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL177168 | 61399 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 632 | 15 | 1 | 6 | 7.2 | CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516195 | 61438 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 618 | 11 | 1 | 6 | 6.8 | CCn1nc(Cc2ccc(OC(C)(C)C)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL177204 | 61438 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 618 | 11 | 1 | 6 | 6.8 | CCn1nc(Cc2ccc(OC(C)(C)C)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516242 | 96212 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 604 | 13 | 1 | 6 | 6.4 | CCOc1cccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)c1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL263787 | 96212 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 604 | 13 | 1 | 6 | 6.4 | CCOc1cccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)c1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516304 | 119990 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 726 | 12 | 1 | 7 | 7.4 | CCn1nc(Cc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL354413 | 119990 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 726 | 12 | 1 | 7 | 7.4 | CCn1nc(Cc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516272 | 120315 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 618 | 12 | 1 | 6 | 6.8 | CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL355809 | 120315 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 618 | 12 | 1 | 6 | 6.8 | CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516200 | 127533 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 601 | 11 | 1 | 7 | 5.5 | CCn1nc(Cc2ccc(OC)c(C#N)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL366492 | 127533 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 601 | 11 | 1 | 7 | 5.5 | CCn1nc(Cc2ccc(OC)c(C#N)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516258 | 128000 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 616 | 11 | 1 | 5 | 7.3 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(C(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL366742 | 128000 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 616 | 11 | 1 | 5 | 7.3 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(C(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516191 | 131094 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 604 | 13 | 1 | 6 | 6.4 | CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL369278 | 131094 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 604 | 13 | 1 | 6 | 6.4 | CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| 44325665 | 110914 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 632 | 10 | 0 | 6 | 6.9 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)c3cccc4ccccc34)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL327241 | 110914 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 632 | 10 | 0 | 6 | 6.9 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)c3cccc4ccccc34)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| 490022 | 111104 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 588 | 10 | 0 | 6 | 6.0 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL328260 | 111104 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 588 | 10 | 0 | 6 | 6.0 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| 490020 | 111113 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 616 | 10 | 0 | 6 | 6.4 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL328297 | 111113 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 616 | 10 | 0 | 6 | 6.4 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| 44401760 | 168021 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 572 | 8 | 1 | 5 | 6.0 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ccc(C(F)(F)F)cn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL435886 | 168021 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 572 | 8 | 1 | 5 | 6.0 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ccc(C(F)(F)F)cn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 44565037 | 192382 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 501 | 8 | 1 | 5 | 5.8 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL489324 | 192382 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 501 | 8 | 1 | 5 | 5.8 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL522259 | 192382 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 501 | 8 | 1 | 5 | 5.8 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| 20672384 | 69241 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 542 | 10 | 1 | 5 | 6.3 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCCn3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL193440 | 69241 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 542 | 10 | 1 | 5 | 6.3 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCCn3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 44565852 | 172092 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 555 | 11 | 1 | 5 | 6.4 | CCc1nc(Cc2ccccc2)oc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL449758 | 172092 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 555 | 11 | 1 | 5 | 6.4 | CCc1nc(Cc2ccccc2)oc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44401751 | 69735 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 538 | 8 | 1 | 5 | 5.7 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ccc(Cl)cn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL193988 | 69735 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 538 | 8 | 1 | 5 | 5.7 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ccc(Cl)cn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 44565852 | 172092 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 555 | 11 | 1 | 5 | 6.4 | CCc1nc(Cc2ccccc2)oc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL449758 | 172092 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 555 | 11 | 1 | 5 | 6.4 | CCc1nc(Cc2ccccc2)oc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3010277 | 78307 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 573 | 11 | 1 | 5 | 6.5 | CCc1nc(Cc2ccccc2)oc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL2112556 | 78307 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 573 | 11 | 1 | 5 | 6.5 | CCc1nc(Cc2ccccc2)oc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2004.04.078 | ||
| 516366 | 168000 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 574 | 12 | 1 | 5 | 6.4 | CCC(CC)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL435727 | 168000 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 574 | 12 | 1 | 5 | 6.4 | CCC(CC)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44565718 | 178381 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 562 | 11 | 1 | 5 | 5.1 | CC(C)C[C@H](C(=O)O)N1C[C@H](CN2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL470510 | 178381 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 562 | 11 | 1 | 5 | 5.1 | CC(C)C[C@H](C(=O)O)N1C[C@H](CN2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44274106 | 76170 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 548 | 10 | 1 | 5 | 4.7 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL20602 | 76170 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 548 | 10 | 1 | 5 | 4.7 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| 516203 | 60018 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 560 | 11 | 1 | 5 | 6.0 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.005 | ||
| CHEMBL174457 | 60018 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 560 | 11 | 1 | 5 | 6.0 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.005 | ||
| 516366 | 168000 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 574 | 12 | 1 | 5 | 6.4 | CCC(CC)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.005 | ||
| CHEMBL435727 | 168000 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 574 | 12 | 1 | 5 | 6.4 | CCC(CC)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.005 | ||
| 44205000 | 169628 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 594 | 8 | 0 | 6 | 7.0 | COC(=O)C(c1ccc(F)cc1)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL444497 | 169628 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 594 | 8 | 0 | 6 | 7.0 | COC(=O)C(c1ccc(F)cc1)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 516366 | 168000 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 574 | 12 | 1 | 5 | 6.4 | CCC(CC)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL435727 | 168000 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 574 | 12 | 1 | 5 | 6.4 | CCC(CC)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44565718 | 178381 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 562 | 11 | 1 | 5 | 5.1 | CC(C)C[C@H](C(=O)O)N1C[C@H](CN2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL470510 | 178381 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 562 | 11 | 1 | 5 | 5.1 | CC(C)C[C@H](C(=O)O)N1C[C@H](CN2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 10413034 | 94737 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 483 | 5 | 0 | 5 | 5.4 | Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL255856 | 94737 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 483 | 5 | 0 | 5 | 5.4 | Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 16041411 | 92144 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 572 | 8 | 1 | 6 | 5.6 | O=C(O)c1ccc(Sc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4ccccc4)CC3)cn2)cc1 | 10.1021/jm401101p | ||
| CHEMBL2434978 | 92144 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 572 | 8 | 1 | 6 | 5.6 | O=C(O)c1ccc(Sc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4ccccc4)CC3)cn2)cc1 | 10.1021/jm401101p | ||
| 58835113 | 92203 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 607 | 8 | 1 | 7 | 5.6 | O=C(O)c1ccc(Sc2ncc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4cccc(Cl)c4)CC3)cn2)cc1 | 10.1021/jm401101p | ||
| CHEMBL2435844 | 92203 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 607 | 8 | 1 | 7 | 5.6 | O=C(O)c1ccc(Sc2ncc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4cccc(Cl)c4)CC3)cn2)cc1 | 10.1021/jm401101p | ||
| 58834946 | 92204 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 604 | 8 | 2 | 7 | 5.5 | Cc1nc(Nc2ccc(C(=O)O)cc2)ncc1CN1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2cccc(Cl)c2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435845 | 92204 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 604 | 8 | 2 | 7 | 5.5 | Cc1nc(Nc2ccc(C(=O)O)cc2)ncc1CN1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2cccc(Cl)c2)CC1 | 10.1021/jm401101p | ||
| 72711741 | 92218 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 579 | 9 | 1 | 4 | 6.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(CC3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435859 | 92218 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 579 | 9 | 1 | 4 | 6.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(CC3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 72711739 | 92266 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 551 | 8 | 1 | 4 | 5.7 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435907 | 92266 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 551 | 8 | 1 | 4 | 5.7 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 59458247 | 92271 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 571 | 8 | 1 | 5 | 6.2 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccsc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435912 | 92271 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 571 | 8 | 1 | 5 | 6.2 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccsc2)CC1 | 10.1021/jm401101p | ||
| 516208 | 59187 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 585 | 11 | 1 | 6 | 5.9 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4cccc(C#N)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL171468 | 59187 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 585 | 11 | 1 | 6 | 5.9 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4cccc(C#N)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516286 | 60076 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 615 | 10 | 1 | 7 | 5.9 | CCn1nc(Cc2ccc(OC)c(C#N)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL174904 | 60076 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 615 | 10 | 1 | 7 | 5.9 | CCn1nc(Cc2ccc(OC)c(C#N)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516270 | 60896 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 604 | 11 | 1 | 6 | 6.4 | CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL176604 | 60896 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 604 | 11 | 1 | 6 | 6.4 | CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516300 | 127942 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 620 | 10 | 1 | 5 | 7.2 | CCn1nc(Cc2ccc(Cl)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL366600 | 127942 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 620 | 10 | 1 | 5 | 7.2 | CCn1nc(Cc2ccc(Cl)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516213 | 128803 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 604 | 13 | 1 | 6 | 6.4 | CCOc1cccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)c1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL367102 | 128803 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 604 | 13 | 1 | 6 | 6.4 | CCOc1cccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)c1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516298 | 130162 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 622 | 10 | 1 | 5 | 6.8 | CCn1nc(Cc2cc(F)cc(F)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL368332 | 130162 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 622 | 10 | 1 | 5 | 6.8 | CCn1nc(Cc2cc(F)cc(F)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516236 | 167978 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 560 | 11 | 1 | 5 | 6.0 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL435538 | 167978 | 1 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 560 | 11 | 1 | 5 | 6.0 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 3009355 | 3926 | 21 | None | - | 1 | Mouse | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 10.1016/j.ejmech.2018.01.085 | ||
| 807 | 3926 | 21 | None | - | 1 | Mouse | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 10.1016/j.ejmech.2018.01.085 | ||
| CHEMBL82301 | 3926 | 21 | None | - | 1 | Mouse | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 10.1016/j.ejmech.2018.01.085 | ||
| DB06652 | 3926 | 21 | None | - | 1 | Mouse | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 10.1016/j.ejmech.2018.01.085 | ||
| 44590635 | 176325 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 493 | 10 | 1 | 3 | 5.1 | CCN(C(=O)Cc1ccc(F)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL461690 | 176325 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 493 | 10 | 1 | 3 | 5.1 | CCN(C(=O)Cc1ccc(F)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 76335673 | 104309 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 652 | 18 | 1 | 6 | 8.8 | Cc1nnc(CCCCCCCCCCN=[N+]=[N-])n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 | 10.1021/ml400370w | ||
| CHEMBL3109175 | 104309 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 652 | 18 | 1 | 6 | 8.8 | Cc1nnc(CCCCCCCCCCN=[N+]=[N-])n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 | 10.1021/ml400370w | ||
| 489315 | 106876 | 2 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 474 | 9 | 1 | 3 | 6.1 | OC1(CCCc2ccccc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00652-7 | ||
| CHEMBL317710 | 106876 | 2 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 474 | 9 | 1 | 3 | 6.1 | OC1(CCCc2ccccc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00652-7 | ||
| 23650547 | 178501 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 459 | 6 | 0 | 3 | 4.4 | Cc1cccc(C)c1C(=O)N1CCC(N2CC[C@@H](N(Cc3ccccc3)C(=O)C3CC3)C2)CC1 | 10.1016/j.bmcl.2009.01.012 | ||
| CHEMBL471623 | 178501 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 459 | 6 | 0 | 3 | 4.4 | Cc1cccc(C)c1C(=O)N1CCC(N2CC[C@@H](N(Cc3ccccc3)C(=O)C3CC3)C2)CC1 | 10.1016/j.bmcl.2009.01.012 | ||
| 44590394 | 183300 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 485 | 6 | 0 | 3 | 5.0 | Cc1cccc(C)c1C(=O)N1[C@H]2CC[C@@H]1C[C@@H](N1CC[C@@H](N(Cc3ccccc3)C(=O)C3CC3)C1)C2 | 10.1016/j.bmcl.2009.01.012 | ||
| CHEMBL481068 | 183300 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 485 | 6 | 0 | 3 | 5.0 | Cc1cccc(C)c1C(=O)N1[C@H]2CC[C@@H]1C[C@@H](N1CC[C@@H](N(Cc3ccccc3)C(=O)C3CC3)C1)C2 | 10.1016/j.bmcl.2009.01.012 | ||
| 59959034 | 78600 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4cnccn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL2113088 | 78600 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4cnccn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 44332814 | 163119 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 556 | 11 | 2 | 6 | 5.2 | OC1(CCCc2ccc(Cc3nnn[nH]3)cc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00605-4 | ||
| CHEMBL420465 | 163119 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 556 | 11 | 2 | 6 | 5.2 | OC1(CCCc2ccc(Cc3nnn[nH]3)cc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00605-4 | ||
| 16073662 | 138746 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 630 | 11 | 0 | 6 | 5.2 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(Cl)c2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| CHEMBL379082 | 138746 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 630 | 11 | 0 | 6 | 5.2 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(Cl)c2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| 25132603 | 102816 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 546 | 5 | 0 | 4 | 7.2 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2cccc(Cl)c2)CCN(C(=O)C(C)(C)C)CC1 | 10.1021/jm800598a | ||
| CHEMBL3084499 | 102816 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 546 | 5 | 0 | 4 | 7.2 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2cccc(Cl)c2)CCN(C(=O)C(C)(C)C)CC1 | 10.1021/jm800598a | ||
| 44565854 | 183281 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 559 | 11 | 1 | 5 | 6.7 | CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN([C@H](CC(C)C)C(=O)O)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL480890 | 183281 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 559 | 11 | 1 | 5 | 6.7 | CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN([C@H](CC(C)C)C(=O)O)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 501045 | 206672 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 532 | 10 | 1 | 5 | 5.7 | COC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL99788 | 206672 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 532 | 10 | 1 | 5 | 5.7 | COC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 10280445 | 94697 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 539 | 5 | 0 | 5 | 5.3 | CC1(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CCN(C(=O)c2c(Cl)c[n+]([O-])cc2Cl)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL255645 | 94697 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 539 | 5 | 0 | 5 | 5.3 | CC1(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CCN(C(=O)c2c(Cl)c[n+]([O-])cc2Cl)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 3008928 | 200970 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 483 | 5 | 0 | 5 | 5.4 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL61424 | 200970 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 483 | 5 | 0 | 5 | 5.4 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 501043 | 4615 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 504 | 10 | 2 | 4 | 5.5 | OC[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| CHEMBL103343 | 4615 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 504 | 10 | 2 | 4 | 5.5 | OC[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| 501047 | 4690 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 504 | 10 | 2 | 4 | 5.5 | OC[C@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| CHEMBL103813 | 4690 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 504 | 10 | 2 | 4 | 5.5 | OC[C@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| 501045 | 206672 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 532 | 10 | 1 | 5 | 5.7 | COC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| CHEMBL99788 | 206672 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 532 | 10 | 1 | 5 | 5.7 | COC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| 72711958 | 92223 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 574 | 9 | 1 | 5 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccncc3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435864 | 92223 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 574 | 9 | 1 | 5 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccncc3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 59458245 | 92225 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 617 | 10 | 2 | 5 | 5.7 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccc(C(=O)O)cc3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435866 | 92225 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 617 | 10 | 2 | 5 | 5.7 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccc(C(=O)O)cc3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 3010280 | 78306 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 563 | 10 | 1 | 5 | 6.4 | CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL2112555 | 78306 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 563 | 10 | 1 | 5 | 6.4 | CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2004.04.078 | ||
| 516336 | 130099 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.1 | Cn1ncc(CCc2ccccc2)c1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL368183 | 130099 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.1 | Cn1ncc(CCc2ccccc2)c1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| 3002976 | 205546 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 634 | 14 | 0 | 7 | 5.9 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@](C)(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.12.044 | ||
| CHEMBL93139 | 205546 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 634 | 14 | 0 | 7 | 5.9 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@](C)(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.12.044 | ||
| 516307 | 59327 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 630 | 12 | 1 | 6 | 7.0 | CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C5CCCCC5)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL172079 | 59327 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 630 | 12 | 1 | 6 | 7.0 | CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C5CCCCC5)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| 44384584 | 59520 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 585 | 9 | 1 | 6 | 5.9 | CCn1nc(Cc2cccc(C#N)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL172820 | 59520 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 585 | 9 | 1 | 6 | 5.9 | CCn1nc(Cc2cccc(C#N)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516193 | 60727 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 602 | 12 | 1 | 6 | 6.2 | CCn1nc(Cc2ccc(OC3CC3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL176337 | 60727 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 602 | 12 | 1 | 6 | 6.2 | CCn1nc(Cc2ccc(OC3CC3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516296 | 61439 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 604 | 10 | 1 | 5 | 6.7 | CCn1nc(Cc2cccc(F)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL177205 | 61439 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 604 | 10 | 1 | 5 | 6.7 | CCn1nc(Cc2cccc(F)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516190 | 129151 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 590 | 12 | 1 | 6 | 6.0 | CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL367383 | 129151 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 590 | 12 | 1 | 6 | 6.0 | CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516215 | 130157 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 632 | 15 | 1 | 6 | 7.2 | CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL368309 | 130157 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 632 | 15 | 1 | 6 | 7.2 | CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| 44273816 | 98589 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 588 | 10 | 1 | 5 | 5.6 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL280344 | 98589 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 588 | 10 | 1 | 5 | 5.6 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| 44357379 | 27927 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 535 | 11 | 1 | 6 | 4.7 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(N(CC3CC3)c3ncccn3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL137327 | 27927 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 535 | 11 | 1 | 6 | 4.7 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(N(CC3CC3)c3ncccn3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00988-5 | ||
| 16073670 | 140526 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 648 | 11 | 0 | 6 | 5.4 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)cc(Cl)c2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| CHEMBL382435 | 140526 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 648 | 11 | 0 | 6 | 5.4 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)cc(Cl)c2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| 57400374 | 70713 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 603 | 11 | 0 | 6 | 3.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccccc2)C2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951906 | 70713 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 603 | 11 | 0 | 6 | 3.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccccc2)C2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 16728787 | 12734 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 533 | 9 | 2 | 5 | 4.9 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL1188566 | 12734 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 533 | 9 | 2 | 5 | 4.9 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL536754 | 12734 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 533 | 9 | 2 | 5 | 4.9 | CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| 10163007 | 94655 | 0 | None | - | 0 | Crab-eating macaque | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 482 | 5 | 0 | 4 | 6.0 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL255429 | 94655 | 0 | None | - | 0 | Crab-eating macaque | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 482 | 5 | 0 | 4 | 6.0 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 3008927 | 197180 | 1 | None | - | 0 | Crab-eating macaque | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 482 | 5 | 0 | 4 | 6.0 | Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL58387 | 197180 | 1 | None | - | 0 | Crab-eating macaque | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 482 | 5 | 0 | 4 | 6.0 | Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 58835114 | 92213 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 584 | 8 | 1 | 6 | 5.8 | Cc1cccc([C@@H]2CN(C3CCOCC3)C(=O)N2C2CCN(Cc3ccc(Oc4ccc(C(=O)O)cc4)nc3C)CC2)c1 | 10.1021/jm401101p | ||
| CHEMBL2435854 | 92213 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 584 | 8 | 1 | 6 | 5.8 | Cc1cccc([C@@H]2CN(C3CCOCC3)C(=O)N2C2CCN(Cc3ccc(Oc4ccc(C(=O)O)cc4)nc3C)CC2)c1 | 10.1021/jm401101p | ||
| 58834953 | 92217 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 569 | 8 | 1 | 6 | 4.9 | Cc1nc(Oc2ccc(C(N)=O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435858 | 92217 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 569 | 8 | 1 | 6 | 4.9 | Cc1nc(Oc2ccc(C(N)=O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 72711740 | 92268 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 581 | 9 | 1 | 5 | 5.2 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(CC3CCOCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435909 | 92268 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 581 | 9 | 1 | 5 | 5.2 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(CC3CCOCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 3010260 | 78305 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 543 | 8 | 1 | 5 | 6.7 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3csc(-c4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL2112554 | 78305 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 543 | 8 | 1 | 5 | 6.7 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3csc(-c4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| 516175 | 59061 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 564 | 10 | 1 | 5 | 5.8 | CCn1nc(Cc2ccc(F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL170829 | 59061 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 564 | 10 | 1 | 5 | 5.8 | CCn1nc(Cc2ccc(F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516283 | 59580 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 576 | 9 | 2 | 6 | 5.7 | CCn1nc(Cc2ccc(O)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL173019 | 59580 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 576 | 9 | 2 | 6 | 5.7 | CCn1nc(Cc2ccc(O)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516261 | 59692 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 566 | 9 | 1 | 5 | 6.6 | CCn1nc(CC2CCCCC2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL173492 | 59692 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 566 | 9 | 1 | 5 | 6.6 | CCn1nc(CC2CCCCC2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516178 | 60734 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 582 | 10 | 1 | 5 | 5.9 | CCn1nc(Cc2ccc(F)c(F)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL176391 | 60734 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 582 | 10 | 1 | 5 | 5.9 | CCn1nc(Cc2ccc(F)c(F)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516295 | 129233 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 604 | 10 | 1 | 5 | 6.7 | CCn1nc(Cc2ccc(F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL367489 | 129233 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 604 | 10 | 1 | 5 | 6.7 | CCn1nc(Cc2ccc(F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516267 | 129683 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 700 | 11 | 1 | 7 | 6.9 | CCn1nc(Cc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL367916 | 129683 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 700 | 11 | 1 | 7 | 6.9 | CCn1nc(Cc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516278 | 129760 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 666 | 12 | 1 | 6 | 7.6 | CCn1nc(Cc2ccc(OCc3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL367988 | 129760 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 666 | 12 | 1 | 6 | 7.6 | CCn1nc(Cc2ccc(OCc3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516240 | 130914 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 700 | 13 | 1 | 7 | 6.9 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(S(=O)(=O)c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL369040 | 130914 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 700 | 13 | 1 | 7 | 6.9 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(S(=O)(=O)c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516214 | 131083 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 618 | 14 | 1 | 6 | 6.8 | CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL369277 | 131083 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 618 | 14 | 1 | 6 | 6.8 | CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516306 | 131604 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 616 | 11 | 1 | 6 | 6.6 | CCn1nc(Cc2ccc(OC)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL369632 | 131604 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 616 | 11 | 1 | 6 | 6.6 | CCn1nc(Cc2ccc(OC)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516222 | 168609 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 644 | 12 | 1 | 6 | 6.9 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL440554 | 168609 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 644 | 12 | 1 | 6 | 6.9 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516361 | 59597 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 572 | 11 | 1 | 5 | 6.2 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL173095 | 59597 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 572 | 11 | 1 | 5 | 6.2 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 516362 | 60137 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 558 | 11 | 1 | 5 | 5.8 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL175327 | 60137 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 558 | 11 | 1 | 5 | 5.8 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 516172 | 119879 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL353331 | 119879 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 516343 | 178489 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 541 | 9 | 1 | 5 | 6.2 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)on3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL471542 | 178489 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 541 | 9 | 1 | 5 | 6.2 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)on3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44357063 | 118639 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 523 | 11 | 1 | 6 | 4.7 | CCCN(c1ccncn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL342842 | 118639 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 523 | 11 | 1 | 6 | 4.7 | CCCN(c1ccncn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 44356952 | 118771 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 591 | 11 | 1 | 6 | 5.7 | CCCN(c1nccc(C(F)(F)F)n1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL343745 | 118771 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 591 | 11 | 1 | 6 | 5.7 | CCCN(c1nccc(C(F)(F)F)n1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 516361 | 59597 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 572 | 11 | 1 | 5 | 6.2 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.005 | ||
| CHEMBL173095 | 59597 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 572 | 11 | 1 | 5 | 6.2 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.005 | ||
| 516362 | 60137 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 558 | 11 | 1 | 5 | 5.8 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.005 | ||
| CHEMBL175327 | 60137 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 558 | 11 | 1 | 5 | 5.8 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.005 | ||
| 516172 | 119879 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.005 | ||
| CHEMBL353331 | 119879 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.005 | ||
| 11525100 | 83112 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 444 | 7 | 1 | 4 | 5.2 | Cc1nc2ccccc2n1C1(C)CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1111/j.1747-0285.2006.00376.x | ||
| CHEMBL2203619 | 83112 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 444 | 7 | 1 | 4 | 5.2 | Cc1nc2ccccc2n1C1(C)CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1111/j.1747-0285.2006.00376.x | ||
| 516361 | 59597 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 572 | 11 | 1 | 5 | 6.2 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL173095 | 59597 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 572 | 11 | 1 | 5 | 6.2 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 516362 | 60137 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 558 | 11 | 1 | 5 | 5.8 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL175327 | 60137 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 558 | 11 | 1 | 5 | 5.8 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 516172 | 119879 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL353331 | 119879 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 516343 | 178489 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 541 | 9 | 1 | 5 | 6.2 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)on3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL471542 | 178489 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 541 | 9 | 1 | 5 | 6.2 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)on3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 72711742 | 92219 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 573 | 9 | 1 | 4 | 6.0 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccccc3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435860 | 92219 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 573 | 9 | 1 | 4 | 6.0 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccccc3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 72714078 | 92244 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 565 | 8 | 1 | 4 | 6.1 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435885 | 92244 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 565 | 8 | 1 | 4 | 6.1 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 52946954 | 18193 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 549 | 7 | 0 | 6 | 3.4 | Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| CHEMBL1271208 | 18193 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 549 | 7 | 0 | 6 | 3.4 | Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| 3013684 | 76685 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 547 | 8 | 0 | 3 | 6.1 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL207182 | 76685 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 547 | 8 | 0 | 3 | 6.1 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 44384875 | 59591 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 541 | 9 | 1 | 5 | 6.2 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3nocc3Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL173064 | 59591 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 541 | 9 | 1 | 5 | 6.2 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3nocc3Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2003.12.004 | ||
| 516335 | 129590 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 554 | 10 | 2 | 4 | 6.1 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3n[nH]cc3CCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL367787 | 129590 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 554 | 10 | 2 | 4 | 6.1 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3n[nH]cc3CCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2003.12.004 | ||
| 516204 | 58881 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 566 | 11 | 1 | 5 | 6.6 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(CC4CCCCC4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL170118 | 58881 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 566 | 11 | 1 | 5 | 6.6 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(CC4CCCCC4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516284 | 59516 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 620 | 11 | 1 | 7 | 6.0 | CCn1nc(Cc2ccc(OC)c(OC)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL172806 | 59516 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 620 | 11 | 1 | 7 | 6.0 | CCn1nc(Cc2ccc(OC)c(OC)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516243 | 129560 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 618 | 14 | 1 | 6 | 6.8 | CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL367697 | 129560 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 618 | 14 | 1 | 6 | 6.8 | CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516211 | 167941 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 590 | 12 | 1 | 6 | 6.0 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4cccc(OC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL435347 | 167941 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 590 | 12 | 1 | 6 | 6.0 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4cccc(OC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516172 | 119879 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL353331 | 119879 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| 516172 | 119879 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL353331 | 119879 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 145967247 | 163861 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 574 | 11 | 1 | 5 | 6.4 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@@H]2C[C@@H](N(C)[C@H](C(=O)O)C(C)C)C[C@H]2c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.8b00180 | ||
| CHEMBL4213499 | 163861 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 574 | 11 | 1 | 5 | 6.4 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@@H]2C[C@@H](N(C)[C@H](C(=O)O)C(C)C)C[C@H]2c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.8b00180 | ||
| 3002977 | 2426 | 70 | None | -3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| 803 | 2426 | 70 | None | -3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| 806 | 2426 | 70 | None | -3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| CHEMBL1201187 | 2426 | 70 | None | -3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| CHEMBL256907 | 2426 | 70 | None | -3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| CHEMBL584744 | 2426 | 70 | None | -3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| DB04835 | 2426 | 70 | None | -3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| 44565038 | 186275 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 8 | 1 | 5 | 5.0 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CC(F)(F)C2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL489513 | 186275 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 8 | 1 | 5 | 5.0 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CC(F)(F)C2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL491679 | 186275 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 8 | 1 | 5 | 5.0 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CC(F)(F)C2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| 3010262 | 183301 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 557 | 9 | 1 | 5 | 6.7 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3csc(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL481080 | 183301 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 557 | 9 | 1 | 5 | 6.7 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3csc(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44447732 | 154562 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 504 | 5 | 0 | 4 | 6.5 | CC1(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CCN(C(=O)c2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL401929 | 154562 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 504 | 5 | 0 | 4 | 6.5 | CC1(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CCN(C(=O)c2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 58835000 | 92202 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 583 | 8 | 1 | 6 | 5.2 | CNC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4ccccc4)CC3)c(C)n2)cc1 | 10.1021/jm401101p | ||
| CHEMBL2435843 | 92202 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 583 | 8 | 1 | 6 | 5.2 | CNC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4ccccc4)CC3)c(C)n2)cc1 | 10.1021/jm401101p | ||
| 58835027 | 92210 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 590 | 8 | 1 | 6 | 5.8 | O=C(O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4cccc(Cl)c4)CC3)cn2)cc1 | 10.1021/jm401101p | ||
| CHEMBL2435851 | 92210 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 590 | 8 | 1 | 6 | 5.8 | O=C(O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4cccc(Cl)c4)CC3)cn2)cc1 | 10.1021/jm401101p | ||
| 3010262 | 183301 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 557 | 9 | 1 | 5 | 6.7 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3csc(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL481080 | 183301 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 557 | 9 | 1 | 5 | 6.7 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3csc(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| 516207 | 59688 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 585 | 11 | 1 | 6 | 5.9 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(C#N)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL173482 | 59688 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 585 | 11 | 1 | 6 | 5.9 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(C#N)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516217 | 60872 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 630 | 13 | 1 | 6 | 7.0 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC5CCC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL176571 | 60872 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 630 | 13 | 1 | 6 | 7.0 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC5CCC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516176 | 61037 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 564 | 10 | 1 | 5 | 5.8 | CCn1nc(Cc2cccc(F)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL176850 | 61037 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 564 | 10 | 1 | 5 | 5.8 | CCn1nc(Cc2cccc(F)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516219 | 61054 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 632 | 12 | 1 | 6 | 7.2 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL176980 | 61054 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 632 | 12 | 1 | 6 | 7.2 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516187 | 61357 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 686 | 12 | 1 | 7 | 6.5 | CCn1nc(Cc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL177156 | 61357 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 686 | 12 | 1 | 7 | 6.5 | CCn1nc(Cc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516189 | 119768 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 576 | 11 | 1 | 6 | 5.6 | CCn1nc(Cc2ccc(OC)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL352511 | 119768 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 576 | 11 | 1 | 6 | 5.6 | CCn1nc(Cc2ccc(OC)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516264 | 128940 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 585 | 9 | 1 | 6 | 5.9 | CCn1nc(Cc2ccc(C#N)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL367169 | 128940 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 585 | 9 | 1 | 6 | 5.9 | CCn1nc(Cc2ccc(C#N)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516239 | 128956 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 585 | 11 | 1 | 6 | 5.9 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(C#N)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL367246 | 128956 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 585 | 11 | 1 | 6 | 5.9 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(C#N)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516181 | 132052 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 580 | 10 | 1 | 5 | 6.3 | CCn1nc(Cc2ccc(Cl)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL369822 | 132052 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 580 | 10 | 1 | 5 | 6.3 | CCn1nc(Cc2ccc(Cl)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 49768863 | 103030 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | Cc1nc(C(C)C)n([C@H]2C[C@@H]3CC[C@H](C2)N3CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)n1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL3085107 | 103030 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | Cc1nc(C(C)C)n([C@H]2C[C@@H]3CC[C@H](C2)N3CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)n1 | 10.1016/j.bmcl.2009.01.008 | ||
| 183790 | 3685 | 8 | None | 3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm300682j | ||
| 783 | 3685 | 8 | None | 3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm300682j | ||
| CHEMBL1178786 | 3685 | 8 | None | 3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm300682j | ||
| 183790 | 3685 | 8 | None | 3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm0509703 | ||
| 783 | 3685 | 8 | None | 3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm0509703 | ||
| CHEMBL1178786 | 3685 | 8 | None | 3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm0509703 | ||
| 3008913 | 101506 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 6 | 0 | 3 | 6.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL301454 | 101506 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 6 | 0 | 3 | 6.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 183790 | 3685 | 8 | None | 3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
| 783 | 3685 | 8 | None | 3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
| CHEMBL1178786 | 3685 | 8 | None | 3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
| 3002977 | 2426 | 70 | None | -3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2010.01.080 | ||
| 803 | 2426 | 70 | None | -3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2010.01.080 | ||
| 806 | 2426 | 70 | None | -3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2010.01.080 | ||
| CHEMBL1201187 | 2426 | 70 | None | -3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2010.01.080 | ||
| CHEMBL256907 | 2426 | 70 | None | -3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2010.01.080 | ||
| CHEMBL584744 | 2426 | 70 | None | -3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2010.01.080 | ||
| DB04835 | 2426 | 70 | None | -3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2010.01.080 | ||
| 183790 | 3685 | 8 | None | 3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmcl.2011.07.058 | ||
| 783 | 3685 | 8 | None | 3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL1178786 | 3685 | 8 | None | 3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmcl.2011.07.058 | ||
| 183790 | 3685 | 8 | None | 3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmcl.2008.12.050 | ||
| 783 | 3685 | 8 | None | 3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL1178786 | 3685 | 8 | None | 3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmcl.2008.12.050 | ||
| 58835024 | 92211 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 570 | 8 | 1 | 6 | 5.5 | Cc1nc(Oc2ccc(C(=O)O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435852 | 92211 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 570 | 8 | 1 | 6 | 5.5 | Cc1nc(Oc2ccc(C(=O)O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 516225 | 130172 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 576 | 11 | 2 | 6 | 5.7 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(O)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL368375 | 130172 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 576 | 11 | 2 | 6 | 5.7 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(O)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 183790 | 3685 | 8 | None | 3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm9906264 | ||
| 783 | 3685 | 8 | None | 3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm9906264 | ||
| CHEMBL1178786 | 3685 | 8 | None | 3 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm9906264 | ||
| 474160 | 11922 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 497 | 6 | 1 | 3 | 6.2 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCO3)cc1 | 10.1021/jm9906264 | ||
| CHEMBL1183361 | 11922 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 497 | 6 | 1 | 3 | 6.2 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCO3)cc1 | 10.1021/jm9906264 | ||
| CHEMBL292548 | 11922 | 1 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 497 | 6 | 1 | 3 | 6.2 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCO3)cc1 | 10.1021/jm9906264 | ||
| 44273872 | 99114 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 568 | 12 | 1 | 5 | 5.7 | COC(=O)C(CCC1CCN(C[C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL283788 | 99114 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 568 | 12 | 1 | 5 | 5.7 | COC(=O)C(CCC1CCN(C[C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 | 10.1016/s0960-894x(02)00829-6 | ||
| 44356944 | 118714 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 509 | 10 | 1 | 6 | 4.3 | CCN(c1ncccn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL343366 | 118714 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 509 | 10 | 1 | 6 | 4.3 | CCN(c1ncccn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 516173 | 59977 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 546 | 10 | 1 | 5 | 5.6 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.005 | ||
| CHEMBL174304 | 59977 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 546 | 10 | 1 | 5 | 5.6 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.005 | ||
| 516173 | 59977 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 546 | 10 | 1 | 5 | 5.6 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL174304 | 59977 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 546 | 10 | 1 | 5 | 5.6 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44273872 | 99114 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 568 | 12 | 1 | 5 | 5.7 | COC(=O)C(CCC1CCN(C[C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL283788 | 99114 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 568 | 12 | 1 | 5 | 5.7 | COC(=O)C(CCC1CCN(C[C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3010265 | 183328 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 541 | 9 | 1 | 5 | 6.2 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3ncc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL481274 | 183328 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 541 | 9 | 1 | 5 | 6.2 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3ncc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 58835155 | 92214 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 588 | 8 | 1 | 6 | 5.6 | Cc1nc(Oc2ccc(C(=O)O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2cccc(F)c2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435855 | 92214 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 588 | 8 | 1 | 6 | 5.6 | Cc1nc(Oc2ccc(C(=O)O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2cccc(F)c2)CC1 | 10.1021/jm401101p | ||
| 486632 | 79144 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 622 | 14 | 0 | 7 | 5.9 | CCCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL2114183 | 79144 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 622 | 14 | 0 | 7 | 5.9 | CCCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 483369 | 163856 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 622 | 14 | 0 | 7 | 5.9 | CCCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL421342 | 163856 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 622 | 14 | 0 | 7 | 5.9 | CCCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 486604 | 203962 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 575 | 13 | 0 | 5 | 5.8 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL82168 | 203962 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 575 | 13 | 0 | 5 | 5.8 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 3010265 | 183328 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 541 | 9 | 1 | 5 | 6.2 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3ncc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL481274 | 183328 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 541 | 9 | 1 | 5 | 6.2 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3ncc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| 516226 | 59330 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 620 | 13 | 1 | 7 | 6.0 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC)c(OC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL172090 | 59330 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 620 | 13 | 1 | 7 | 6.0 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC)c(OC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516299 | 59622 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 622 | 10 | 1 | 5 | 6.8 | CCn1nc(Cc2ccc(F)cc2F)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL173202 | 59622 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 622 | 10 | 1 | 5 | 6.8 | CCn1nc(Cc2ccc(F)cc2F)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516173 | 59977 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 546 | 10 | 1 | 5 | 5.6 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL174304 | 59977 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 546 | 10 | 1 | 5 | 5.6 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516301 | 127534 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 654 | 10 | 1 | 5 | 7.6 | CCn1nc(Cc2ccc(C(F)(F)F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL366494 | 127534 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 654 | 10 | 1 | 5 | 7.6 | CCn1nc(Cc2ccc(C(F)(F)F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516268 | 130836 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 590 | 10 | 1 | 6 | 6.0 | CCn1nc(Cc2ccc(OC)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL368823 | 130836 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 590 | 10 | 1 | 6 | 6.0 | CCn1nc(Cc2ccc(OC)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 474168 | 11155 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 551 | 6 | 1 | 3 | 6.9 | C[N+](C)(Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(C(F)(F)F)cc4)ccc3OCC2)cc1)C1CCOCC1 | 10.1021/jm9906264 | ||
| CHEMBL1179044 | 11155 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 551 | 6 | 1 | 3 | 6.9 | C[N+](C)(Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(C(F)(F)F)cc4)ccc3OCC2)cc1)C1CCOCC1 | 10.1021/jm9906264 | ||
| CHEMBL56565 | 11155 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 551 | 6 | 1 | 3 | 6.9 | C[N+](C)(Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(C(F)(F)F)cc4)ccc3OCC2)cc1)C1CCOCC1 | 10.1021/jm9906264 | ||
| 483369 | 163856 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 622 | 14 | 0 | 7 | 5.9 | CCCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL421342 | 163856 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 622 | 14 | 0 | 7 | 5.9 | CCCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 44461689 | 203940 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 591 | 13 | 0 | 5 | 6.3 | CCCN(C(=O)OCc1ccccc1C)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL81926 | 203940 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 591 | 13 | 0 | 5 | 6.3 | CCCN(C(=O)OCc1ccccc1C)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 44590682 | 174603 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 509 | 10 | 1 | 3 | 5.6 | CCN(C(=O)Cc1cccc(Cl)c1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL457044 | 174603 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 509 | 10 | 1 | 3 | 5.6 | CCN(C(=O)Cc1cccc(Cl)c1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 44274090 | 76111 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 540 | 11 | 2 | 4 | 5.6 | CC(O)(CCC1CCN(C[C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL20598 | 76111 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 540 | 11 | 2 | 4 | 5.6 | CC(O)(CCC1CCN(C[C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 | 10.1016/s0960-894x(02)00829-6 | ||
| 21341080 | 79326 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 534 | 10 | 1 | 4 | 6.3 | O=C(CCC1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1)c1ccc(F)cc1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL21167 | 79326 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 534 | 10 | 1 | 4 | 6.3 | O=C(CCC1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1)c1ccc(F)cc1 | 10.1016/s0960-894x(02)00829-6 | ||
| 3002977 | 2426 | 70 | None | -3 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| 803 | 2426 | 70 | None | -3 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| 806 | 2426 | 70 | None | -3 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| CHEMBL1201187 | 2426 | 70 | None | -3 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| CHEMBL256907 | 2426 | 70 | None | -3 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| CHEMBL584744 | 2426 | 70 | None | -3 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| DB04835 | 2426 | 70 | None | -3 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml400370w | ||
| 505881 | 29238 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 537 | 10 | 1 | 6 | 5.0 | CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL138437 | 29238 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 537 | 10 | 1 | 6 | 5.0 | CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 516367 | 59407 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 560 | 10 | 1 | 5 | 6.0 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@](C)(C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.005 | ||
| CHEMBL172371 | 59407 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 560 | 10 | 1 | 5 | 6.0 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@](C)(C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.005 | ||
| 516365 | 119769 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 540 | 10 | 1 | 5 | 5.6 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.005 | ||
| CHEMBL352514 | 119769 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 540 | 10 | 1 | 5 | 5.6 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.005 | ||
| 516294 | 119878 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 586 | 10 | 1 | 5 | 6.6 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.005 | ||
| CHEMBL353330 | 119878 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 586 | 10 | 1 | 5 | 6.6 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.005 | ||
| 57402175 | 70705 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 658 | 11 | 0 | 7 | 3.5 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccccc2)N2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951898 | 70705 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 658 | 11 | 0 | 7 | 3.5 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccccc2)N2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 44274090 | 76111 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 540 | 11 | 2 | 4 | 5.6 | CC(O)(CCC1CCN(C[C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL20598 | 76111 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 540 | 11 | 2 | 4 | 5.6 | CC(O)(CCC1CCN(C[C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 | 10.1016/j.ejmech.2008.01.040 | ||
| 516365 | 119769 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 540 | 10 | 1 | 5 | 5.6 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL352514 | 119769 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 540 | 10 | 1 | 5 | 5.6 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3010270 | 183222 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 513 | 10 | 1 | 5 | 5.4 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL480504 | 183222 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 513 | 10 | 1 | 5 | 5.4 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3010270 | 183222 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 513 | 10 | 1 | 5 | 5.4 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL480504 | 183222 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 513 | 10 | 1 | 5 | 5.4 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| 516294 | 119878 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 586 | 10 | 1 | 5 | 6.6 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL353330 | 119878 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 586 | 10 | 1 | 5 | 6.6 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516247 | 127034 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 632 | 12 | 1 | 6 | 7.2 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL366328 | 127034 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 632 | 12 | 1 | 6 | 7.2 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516266 | 129224 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 638 | 10 | 1 | 7 | 5.4 | CCn1nc(Cc2ccc(S(C)(=O)=O)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL367461 | 129224 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 638 | 10 | 1 | 7 | 5.4 | CCn1nc(Cc2ccc(S(C)(=O)=O)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516238 | 130098 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 696 | 11 | 1 | 5 | 8.1 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL368182 | 130098 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 696 | 11 | 1 | 5 | 8.1 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 44357375 | 115503 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 523 | 11 | 1 | 6 | 4.7 | CCCN(c1cncnc1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL335562 | 115503 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 523 | 11 | 1 | 6 | 4.7 | CCCN(c1cncnc1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 11635721 | 71889 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 596 | 11 | 0 | 6 | 4.6 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(S(C)(=O)=O)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL198150 | 71889 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 596 | 11 | 0 | 6 | 4.6 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(S(C)(=O)=O)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 11635721 | 71889 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 596 | 11 | 0 | 6 | 4.6 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(S(C)(=O)=O)cc2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| CHEMBL198150 | 71889 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 596 | 11 | 0 | 6 | 4.6 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(S(C)(=O)=O)cc2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| 9810893 | 103066 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 682 | 17 | 1 | 7 | 8.5 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3CCC)cc1 | 10.1021/jm0509703 | ||
| CHEMBL3085307 | 103066 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 682 | 17 | 1 | 7 | 8.5 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3CCC)cc1 | 10.1021/jm0509703 | ||
| 11513274 | 103068 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 734 | 17 | 1 | 9 | 8.0 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3Cc2cnn(C)c2)cc1 | 10.1021/jm0509703 | ||
| CHEMBL3085309 | 103068 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 734 | 17 | 1 | 9 | 8.0 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3Cc2cnn(C)c2)cc1 | 10.1021/jm0509703 | ||
| 10186910 | 94738 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 533 | 6 | 0 | 6 | 4.9 | Cc1nc(CN(c2ccccc2)C2CCN(C3(C)CCN(C(=O)c4c(C)cc[n+]([O-])c4C)CC3)CC2)cs1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL255857 | 94738 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 533 | 6 | 0 | 6 | 4.9 | Cc1nc(CN(c2ccccc2)C2CCN(C3(C)CCN(C(=O)c4c(C)cc[n+]([O-])c4C)CC3)CC2)cs1 | 10.1016/j.bmcl.2008.01.108 | ||
| 25024699 | 92206 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 558 | 5 | 0 | 5 | 5.4 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435847 | 92206 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 558 | 5 | 0 | 5 | 5.4 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1021/jm401101p | ||
| 72711956 | 92221 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 588 | 9 | 1 | 5 | 5.7 | Cc1ccncc1CN1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O | 10.1021/jm401101p | ||
| CHEMBL2435862 | 92221 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 588 | 9 | 1 | 5 | 5.7 | Cc1ccncc1CN1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O | 10.1021/jm401101p | ||
| 59458103 | 92265 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 537 | 8 | 1 | 4 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435906 | 92265 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 537 | 8 | 1 | 4 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 5275759 | 76763 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 590 | 9 | 0 | 5 | 5.2 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C#N)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL207630 | 76763 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 590 | 9 | 0 | 5 | 5.2 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C#N)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 11505350 | 168222 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 565 | 8 | 0 | 4 | 6.4 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(Sc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL437494 | 168222 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 565 | 8 | 0 | 4 | 6.4 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(Sc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 516185 | 127291 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 571 | 10 | 1 | 6 | 5.5 | CCn1nc(Cc2cccc(C#N)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL366400 | 127291 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 571 | 10 | 1 | 6 | 5.5 | CCn1nc(Cc2cccc(C#N)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516302 | 130189 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 611 | 10 | 1 | 6 | 6.4 | CCn1nc(Cc2ccc(C#N)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL368459 | 130189 | 1 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 611 | 10 | 1 | 6 | 6.4 | CCn1nc(Cc2ccc(C#N)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 9914742 | 166082 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 523 | 11 | 1 | 6 | 4.7 | CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL428104 | 166082 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 523 | 11 | 1 | 6 | 4.7 | CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 9914742 | 166082 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 523 | 11 | 1 | 6 | 4.7 | CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL428104 | 166082 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 523 | 11 | 1 | 6 | 4.7 | CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 9914742 | 166082 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 523 | 11 | 1 | 6 | 4.7 | CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL428104 | 166082 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 523 | 11 | 1 | 6 | 4.7 | CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44447735 | 94698 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccn3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL255646 | 94698 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccn3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 183790 | 3685 | 8 | None | 3 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm9906264 | ||
| 783 | 3685 | 8 | None | 3 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm9906264 | ||
| CHEMBL1178786 | 3685 | 8 | None | 3 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm9906264 | ||
| 474167 | 11924 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 527 | 8 | 1 | 4 | 6.3 | CCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCO3)cc1 | 10.1021/jm9906264 | ||
| CHEMBL1183370 | 11924 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 527 | 8 | 1 | 4 | 6.3 | CCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCO3)cc1 | 10.1021/jm9906264 | ||
| CHEMBL293393 | 11924 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 527 | 8 | 1 | 4 | 6.3 | CCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCO3)cc1 | 10.1021/jm9906264 | ||
| 3013575 | 75418 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 682 | 17 | 1 | 7 | 8.4 | CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc([S+]([O-])Cc4cncn4CCC)cc2)CCN3CC(C)C)cc1 | 10.1021/jm0509703 | ||
| CHEMBL204821 | 75418 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 682 | 17 | 1 | 7 | 8.4 | CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc([S+]([O-])Cc4cncn4CCC)cc2)CCN3CC(C)C)cc1 | 10.1021/jm0509703 | ||
| 76316241 | 85184 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 590 | 13 | 0 | 6 | 5.2 | C=CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL2282503 | 85184 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 590 | 13 | 0 | 6 | 5.2 | C=CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 486604 | 203962 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 575 | 13 | 0 | 5 | 5.8 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL82168 | 203962 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 575 | 13 | 0 | 5 | 5.8 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 11467704 | 204108 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 620 | 14 | 0 | 7 | 5.7 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL83335 | 204108 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 620 | 14 | 0 | 7 | 5.7 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 5275829 | 204309 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 563 | 12 | 0 | 5 | 5.6 | CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL85086 | 204309 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 563 | 12 | 0 | 5 | 5.6 | CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 44461628 | 104782 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 549 | 11 | 0 | 5 | 5.5 | CCN(C(=O)Oc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL311532 | 104782 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 549 | 11 | 0 | 5 | 5.5 | CCN(C(=O)Oc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 44461714 | 203637 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 543 | 14 | 0 | 5 | 5.6 | CCCCCCN(C(=O)OC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL79667 | 203637 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 543 | 14 | 0 | 5 | 5.6 | CCCCCCN(C(=O)OC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 483344 | 5029 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 581 | 12 | 0 | 7 | 6.6 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(C)(Cn2cnc3ccccc32)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| CHEMBL105570 | 5029 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 581 | 12 | 0 | 7 | 6.6 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(C)(Cn2cnc3ccccc32)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| 44335765 | 5365 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 610 | 12 | 0 | 6 | 6.7 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(C)(c2ccccc2)C2c3ccccc3C(=O)N2CC)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| CHEMBL107380 | 5365 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 610 | 12 | 0 | 6 | 6.7 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(C)(c2ccccc2)C2c3ccccc3C(=O)N2CC)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| 5481702 | 204109 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00654-0 | ||
| CHEMBL83338 | 204109 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00654-0 | ||
| 505867 | 29489 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 460 | 8 | 0 | 4 | 4.8 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)C3CCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL138645 | 29489 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 460 | 8 | 0 | 4 | 4.8 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)C3CCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 54582105 | 62543 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 550 | 6 | 0 | 4 | 6.9 | Cc1nc2cc(F)ccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm200279v | ||
| CHEMBL1784400 | 62543 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 550 | 6 | 0 | 4 | 6.9 | Cc1nc2cc(F)ccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm200279v | ||
| 44401731 | 170629 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 499 | 7 | 2 | 3 | 6.1 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3c[nH]c4ccccc34)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL445925 | 170629 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 499 | 7 | 2 | 3 | 6.1 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3c[nH]c4ccccc34)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 496972 | 107739 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 5.8 | O=C(O)c1ccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00605-4 | ||
| CHEMBL319689 | 107739 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 5.8 | O=C(O)c1ccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00605-4 | ||
| 505867 | 29489 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 460 | 8 | 0 | 4 | 4.8 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)C3CCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL138645 | 29489 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 460 | 8 | 0 | 4 | 4.8 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)C3CCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 496972 | 107739 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 5.8 | O=C(O)c1ccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL319689 | 107739 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 5.8 | O=C(O)c1ccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 | 10.1016/j.ejmech.2008.01.040 | ||
| 46882916 | 5567 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 537 | 7 | 0 | 4 | 6.7 | CCCCC1N(CC2CCCCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)cccc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| CHEMBL1077779 | 5567 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 537 | 7 | 0 | 4 | 6.7 | CCCCC1N(CC2CCCCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)cccc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| 46883031 | 5650 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 554 | 7 | 0 | 6 | 5.4 | CCCC[C@H]1CN(CC2CCCCO2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ccnc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| CHEMBL1078335 | 5650 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 554 | 7 | 0 | 6 | 5.4 | CCCC[C@H]1CN(CC2CCCCO2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ccnc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| 11786927 | 60643 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 624 | 10 | 1 | 7 | 5.9 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2cccc(Cl)n2)c2ccc(S(C)(=O)=O)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762463 | 60643 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 624 | 10 | 1 | 7 | 5.9 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2cccc(Cl)n2)c2ccc(S(C)(=O)=O)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 44461628 | 104782 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 549 | 11 | 0 | 5 | 5.5 | CCN(C(=O)Oc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL311532 | 104782 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 549 | 11 | 0 | 5 | 5.5 | CCN(C(=O)Oc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 44461714 | 203637 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 543 | 14 | 0 | 5 | 5.6 | CCCCCCN(C(=O)OC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL79667 | 203637 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 543 | 14 | 0 | 5 | 5.6 | CCCCCCN(C(=O)OC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 5481702 | 204109 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| 5481702 | 204109 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL83338 | 204109 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| CHEMBL83338 | 204109 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00492-9 | ||
| 16064151 | 120726 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 491 | 6 | 1 | 5 | 5.2 | CC(C)[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | ||
| CHEMBL3577948 | 120726 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 491 | 6 | 1 | 5 | 5.2 | CC(C)[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | ||
| 5481702 | 204109 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL83338 | 204109 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 5275841 | 122801 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 559 | 10 | 0 | 4 | 5.2 | CN(C[C@@](C)(CCN1CCC2C(CCC(=O)N2Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2004.12.044 | ||
| CHEMBL361585 | 122801 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 559 | 10 | 0 | 4 | 5.2 | CN(C[C@@](C)(CCN1CCC2C(CCC(=O)N2Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2004.12.044 | ||
| 72714321 | 92250 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 610 | 8 | 1 | 5 | 5.6 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(Br)c2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435891 | 92250 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 610 | 8 | 1 | 5 | 5.6 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(Br)c2)CC1 | 10.1021/jm401101p | ||
| 76316185 | 85171 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 612 | 10 | 3 | 3 | 8.1 | CCc1cccc(CC)c1NC(=O)NCC1(O)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL2281968 | 85171 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 612 | 10 | 3 | 3 | 8.1 | CCc1cccc(CC)c1NC(=O)NCC1(O)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| 76327120 | 85169 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 598 | 8 | 3 | 3 | 7.9 | Cc1cc(C)c(NC(=O)NCC2(O)CCC(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)c(C)c1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL2281966 | 85169 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 598 | 8 | 3 | 3 | 7.9 | Cc1cc(C)c(NC(=O)NCC2(O)CCC(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)c(C)c1 | 10.1007/s00044-012-0118-7 | ||
| 478449 | 85185 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 547 | 12 | 0 | 4 | 5.5 | CCCN(C(=O)c1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL2282504 | 85185 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 547 | 12 | 0 | 4 | 5.5 | CCCN(C(=O)c1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 76309037 | 85188 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 562 | 12 | 1 | 4 | 5.2 | CCN(C(=O)NCc1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL2282507 | 85188 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 562 | 12 | 1 | 4 | 5.2 | CCN(C(=O)NCc1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 44461560 | 203598 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 549 | 11 | 0 | 5 | 5.2 | COC(=O)N(Cc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL79315 | 203598 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 549 | 11 | 0 | 5 | 5.2 | COC(=O)N(Cc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 5481754 | 204742 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 604 | 9 | 0 | 4 | 6.1 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL88159 | 204742 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 604 | 9 | 0 | 4 | 6.1 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| 489337 | 5544 | 2 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 568 | 9 | 2 | 3 | 6.5 | CC(CCN1CCC(c2ccccc2)CC1)(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1cccc(Cl)c1 | 10.1016/s0960-894x(01)00654-0 | ||
| CHEMBL107749 | 5544 | 2 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 568 | 9 | 2 | 3 | 6.5 | CC(CCN1CCC(c2ccccc2)CC1)(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1cccc(Cl)c1 | 10.1016/s0960-894x(01)00654-0 | ||
| 5481704 | 163867 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 606 | 8 | 0 | 5 | 5.6 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL421356 | 163867 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 606 | 8 | 0 | 5 | 5.6 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00637-5 | ||
| 478496 | 204589 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 582 | 8 | 0 | 4 | 5.8 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CCCC1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL87167 | 204589 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 582 | 8 | 0 | 4 | 5.8 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CCCC1 | 10.1016/s0960-894x(00)00637-5 | ||
| 5481744 | 204822 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 596 | 8 | 0 | 4 | 6.2 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CCCCC1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL88644 | 204822 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 596 | 8 | 0 | 4 | 6.2 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CCCCC1 | 10.1016/s0960-894x(00)00637-5 | ||
| 5481750 | 204903 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 591 | 8 | 0 | 5 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccnc1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL89167 | 204903 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 591 | 8 | 0 | 5 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccnc1 | 10.1016/s0960-894x(00)00637-5 | ||
| 44392229 | 65295 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 441 | 8 | 1 | 2 | 5.5 | CN(C(=O)NCc1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL183406 | 65295 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 441 | 8 | 1 | 2 | 5.5 | CN(C(=O)NCc1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 54584053 | 62541 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 586 | 6 | 0 | 4 | 7.5 | O=C(c1ccccc1)N1CCC(CCN2C3CCC2CC(n2c(C(F)(F)F)nc4ccccc42)C3)(c2ccccc2)CC1 | 10.1021/jm200279v | ||
| CHEMBL1784398 | 62541 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 586 | 6 | 0 | 4 | 7.5 | O=C(c1ccccc1)N1CCC(CCN2C3CCC2CC(n2c(C(F)(F)F)nc4ccccc42)C3)(c2ccccc2)CC1 | 10.1021/jm200279v | ||
| 44401734 | 68821 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 528 | 7 | 1 | 6 | 4.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3cnc(=O)c4ccccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL192456 | 68821 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 528 | 7 | 1 | 6 | 4.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3cnc(=O)c4ccccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 496970 | 4605 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 5.8 | O=C(O)c1ccccc1CCCC1(O)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00605-4 | ||
| CHEMBL103268 | 4605 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 5.8 | O=C(O)c1ccccc1CCCC1(O)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00605-4 | ||
| 496970 | 4605 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 5.8 | O=C(O)c1ccccc1CCCC1(O)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL103268 | 4605 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 5.8 | O=C(O)c1ccccc1CCCC1(O)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44431977 | 87549 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 599 | 8 | 3 | 4 | 6.8 | Cc1cc(C)c(NC(=O)NCC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)c(C)c1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL234208 | 87549 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 599 | 8 | 3 | 4 | 6.8 | Cc1cc(C)c(NC(=O)NCC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)c(C)c1 | 10.1016/j.bmcl.2007.01.050 | ||
| 44455001 | 97195 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 520 | 8 | 1 | 5 | 6.7 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1ccccc1Cl)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| CHEMBL271076 | 97195 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 520 | 8 | 1 | 5 | 6.7 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1ccccc1Cl)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| 46882871 | 5612 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 509 | 7 | 0 | 4 | 6.0 | CCCCC1N(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3ccccc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| CHEMBL1077988 | 5612 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 509 | 7 | 0 | 4 | 6.0 | CCCCC1N(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3ccccc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| 46882985 | 5634 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 555 | 7 | 0 | 7 | 4.6 | CCCC[C@@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| CHEMBL1078141 | 5634 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 555 | 7 | 0 | 7 | 4.6 | CCCC[C@@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| 54586339 | 60565 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 604 | 9 | 1 | 5 | 7.3 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2ccccc2C#N)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762317 | 60565 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 604 | 9 | 1 | 5 | 7.3 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2ccccc2C#N)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 478440 | 103784 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 534 | 11 | 2 | 4 | 4.4 | CN(CC(CCN1CCC(NC(=O)NCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL309922 | 103784 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 534 | 11 | 2 | 4 | 4.4 | CN(CC(CCN1CCC(NC(=O)NCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00492-9 | ||
| 44461560 | 203598 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 549 | 11 | 0 | 5 | 5.2 | COC(=O)N(Cc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL79315 | 203598 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 549 | 11 | 0 | 5 | 5.2 | COC(=O)N(Cc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 5481714 | 203625 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 538 | 8 | 1 | 4 | 5.6 | CN(C[C@@H](CCN1CCC2(CC1)CC(O)c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| CHEMBL79566 | 203625 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 538 | 8 | 1 | 4 | 5.6 | CN(C[C@@H](CCN1CCC2(CC1)CC(O)c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| 44461831 | 204055 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 547 | 12 | 0 | 4 | 5.5 | CCCN(C(=O)c1ccccc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL82879 | 204055 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 547 | 12 | 0 | 4 | 5.5 | CCCN(C(=O)c1ccccc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 5481716 | 204145 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 551 | 8 | 0 | 4 | 5.2 | CN1C(=O)c2ccccc2C12CCN(CC[C@H](CN(C)S(=O)(=O)c1ccccc1)c1cccc(Cl)c1)CC2 | 10.1016/s0960-894x(01)00491-7 | ||
| CHEMBL83745 | 204145 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 551 | 8 | 0 | 4 | 5.2 | CN1C(=O)c2ccccc2C12CCN(CC[C@H](CN(C)S(=O)(=O)c1ccccc1)c1cccc(Cl)c1)CC2 | 10.1016/s0960-894x(01)00491-7 | ||
| 5481704 | 163867 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 606 | 8 | 0 | 5 | 5.6 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL421356 | 163867 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 606 | 8 | 0 | 5 | 5.6 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 479858 | 204977 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 480 | 9 | 0 | 3 | 5.5 | CN(CC(CCN1CCC(c2ccccc2)CC1)c1cccc(F)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL89715 | 204977 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 480 | 9 | 0 | 3 | 5.5 | CN(CC(CCN1CCC(c2ccccc2)CC1)c1cccc(F)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 482147 | 205157 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 528 | 8 | 0 | 5 | 4.7 | CN(CC(CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccsc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL90747 | 205157 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 528 | 8 | 0 | 5 | 4.7 | CN(CC(CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccsc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 479877 | 205292 | 2 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 468 | 9 | 0 | 4 | 5.4 | CN(CC(CCN1CCC(c2ccccc2)CC1)c1ccsc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL91522 | 205292 | 2 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 468 | 9 | 0 | 4 | 5.4 | CN(CC(CCN1CCC(c2ccccc2)CC1)c1ccsc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 44273846 | 77846 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 542 | 11 | 2 | 4 | 4.8 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCP(=O)(O)c3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL21058 | 77846 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 542 | 11 | 2 | 4 | 4.8 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCP(=O)(O)c3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| 76315543 | 84839 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 641 | 8 | 0 | 5 | 6.5 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cncc2ccccc12 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL2259881 | 84839 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 641 | 8 | 0 | 5 | 6.5 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cncc2ccccc12 | 10.1007/s00044-011-9863-2 | ||
| 76322864 | 84840 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.2 | C/C=C(\C)[C@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)CN(C)S(=O)(=O)c1cn(C)cn1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL2259882 | 84840 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 504 | 8 | 0 | 6 | 3.2 | C/C=C(\C)[C@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)CN(C)S(=O)(=O)c1cn(C)cn1 | 10.1007/s00044-011-9863-2 | ||
| 76334365 | 85158 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 425 | 4 | 0 | 3 | 4.6 | Brc1ccc(COc2ccc(Br)cc2N2CCOCC2)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL2281892 | 85158 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 425 | 4 | 0 | 3 | 4.6 | Brc1ccc(COc2ccc(Br)cc2N2CCOCC2)cc1 | 10.1007/s00044-012-0118-7 | ||
| 76319944 | 85189 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 500 | 11 | 1 | 4 | 4.0 | CCCN(C(=O)NC)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL2282508 | 85189 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 500 | 11 | 1 | 4 | 4.0 | CCCN(C(=O)NC)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 44461785 | 103975 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 459 | 9 | 1 | 5 | 3.3 | COC(=O)NC1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL310369 | 103975 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 459 | 9 | 1 | 5 | 3.3 | COC(=O)NC1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 5481746 | 112285 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 666 | 9 | 0 | 4 | 7.6 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL330570 | 112285 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 666 | 9 | 0 | 4 | 7.6 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 | 10.1007/s00044-011-9863-2 | ||
| 11188669 | 144848 | 3 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 395 | 5 | 0 | 3 | 4.5 | Clc1ccc(COc2ccc(Br)cc2CN2CCOCC2)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL391379 | 144848 | 3 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 395 | 5 | 0 | 3 | 4.5 | Clc1ccc(COc2ccc(Br)cc2CN2CCOCC2)cc1 | 10.1007/s00044-012-0118-7 | ||
| 44461790 | 164012 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 501 | 9 | 1 | 5 | 4.5 | CN(C[C@@H](CCN1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL421527 | 164012 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 501 | 9 | 1 | 5 | 4.5 | CN(C[C@@H](CCN1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-012-0138-3 | ||
| 478412 | 167407 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 526 | 10 | 0 | 4 | 6.0 | COc1ccccc1C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL431795 | 167407 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 526 | 10 | 0 | 4 | 6.0 | COc1ccccc1C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1007/s00044-011-9863-2 | ||
| 5481703 | 204077 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 572 | 8 | 0 | 5 | 5.0 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL83107 | 204077 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 572 | 8 | 0 | 5 | 5.0 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| 478499 | 204776 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 624 | 8 | 0 | 4 | 6.6 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc(Cl)c1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL88344 | 204776 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 624 | 8 | 0 | 4 | 6.6 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc(Cl)c1 | 10.1007/s00044-011-9863-2 | ||
| 5481741 | 110992 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 6.4 | CN(Cc1ccccc1)C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL327703 | 110992 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 6.4 | CN(Cc1ccccc1)C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00637-5 | ||
| 5481705 | 162929 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 574 | 8 | 0 | 4 | 6.9 | CN(C[C@@H](CCN1CCC2(CC1)CSc1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL420057 | 162929 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 574 | 8 | 0 | 4 | 6.9 | CN(C[C@@H](CCN1CCC2(CC1)CSc1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00637-5 | ||
| 11502371 | 152594 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL397647 | 152594 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| 57403173 | 67528 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 409 | 9 | 1 | 4 | 3.7 | N#Cc1cccc(C(=O)NCCCN2CCC(COCc3ccc(F)cc3)CC2)c1 | 10.1016/j.bmcl.2011.09.013 | ||
| CHEMBL1910166 | 67528 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 409 | 9 | 1 | 4 | 3.7 | N#Cc1cccc(C(=O)NCCCN2CCC(COCc3ccc(F)cc3)CC2)c1 | 10.1016/j.bmcl.2011.09.013 | ||
| 6479877 | 12407 | 2 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL1186558 | 12407 | 2 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL2057533 | 12407 | 2 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| CHEMBL469649 | 12407 | 2 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCC2 | 10.1016/j.bmcl.2011.07.058 | ||
| 15485365 | 188075 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 604 | 8 | 1 | 4 | 6.3 | O=C1CCC(CCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 | 10.1021/jm800598a | ||
| CHEMBL503631 | 188075 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 604 | 8 | 1 | 4 | 6.3 | O=C1CCC(CCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 | 10.1021/jm800598a | ||
| 11188669 | 144848 | 3 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 395 | 5 | 0 | 3 | 4.5 | Clc1ccc(COc2ccc(Br)cc2CN2CCOCC2)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL391379 | 144848 | 3 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 395 | 5 | 0 | 3 | 4.5 | Clc1ccc(COc2ccc(Br)cc2CN2CCOCC2)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 11188669 | 144848 | 3 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 395 | 5 | 0 | 3 | 4.5 | Clc1ccc(COc2ccc(Br)cc2CN2CCOCC2)cc1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL391379 | 144848 | 3 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 395 | 5 | 0 | 3 | 4.5 | Clc1ccc(COc2ccc(Br)cc2CN2CCOCC2)cc1 | 10.1016/j.bmcl.2007.01.050 | ||
| 6479877 | 12407 | 2 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCC2 | 10.1021/np049974l | ||
| CHEMBL1186558 | 12407 | 2 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCC2 | 10.1021/np049974l | ||
| CHEMBL2057533 | 12407 | 2 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCC2 | 10.1021/np049974l | ||
| CHEMBL469649 | 12407 | 2 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 424 | 16 | 0 | 0 | 9.1 | CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCC2 | 10.1021/np049974l | ||
| 53326700 | 58155 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683066 | 58155 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 11329244 | 70772 | 10 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 486 | 7 | 2 | 5 | 5.4 | CC(=O)c1sc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C | 10.1021/jm049530m | ||
| CHEMBL195433 | 70772 | 10 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 486 | 7 | 2 | 5 | 5.4 | CC(=O)c1sc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C | 10.1021/jm049530m | ||
| 11272103 | 123856 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 505 | 7 | 2 | 6 | 4.7 | Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 | 10.1021/jm049530m | ||
| CHEMBL363840 | 123856 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 505 | 7 | 2 | 6 | 4.7 | Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 | 10.1021/jm049530m | ||
| 21148035 | 79146 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 471 | 9 | 0 | 5 | 3.4 | CN(C[C@@H](CCN1CCC(N2CCOC2=O)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL2114185 | 79146 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 471 | 9 | 0 | 5 | 3.4 | CN(C[C@@H](CCN1CCC(N2CCOC2=O)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00492-9 | ||
| 44461790 | 164012 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 501 | 9 | 1 | 5 | 4.5 | CN(C[C@@H](CCN1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL421527 | 164012 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 501 | 9 | 1 | 5 | 4.5 | CN(C[C@@H](CCN1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00492-9 | ||
| 478439 | 204152 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 458 | 9 | 2 | 4 | 2.9 | CNC(=O)NC1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL83773 | 204152 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 458 | 9 | 2 | 4 | 2.9 | CNC(=O)NC1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 5481705 | 162929 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 574 | 8 | 0 | 4 | 6.9 | CN(C[C@@H](CCN1CCC2(CC1)CSc1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL420057 | 162929 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 574 | 8 | 0 | 4 | 6.9 | CN(C[C@@H](CCN1CCC2(CC1)CSc1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 478307 | 105339 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 496 | 9 | 0 | 3 | 6.0 | CN(C[C@@H](CCN1CCC(c2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL312701 | 105339 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 496 | 9 | 0 | 3 | 6.0 | CN(C[C@@H](CCN1CCC(c2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| 5482809 | 163717 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 588 | 9 | 0 | 4 | 7.3 | CCN(C[C@@H](CCN1CCC2(CC1)CSc1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL421168 | 163717 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 588 | 9 | 0 | 4 | 7.3 | CCN(C[C@@H](CCN1CCC2(CC1)CSc1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00637-5 | ||
| 11224188 | 87231 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 429 | 7 | 0 | 2 | 6.3 | CN(Cc1ccccc1)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL233635 | 87231 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 429 | 7 | 0 | 2 | 6.3 | CN(Cc1ccccc1)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| 11224188 | 87231 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 429 | 7 | 0 | 2 | 6.3 | CN(Cc1ccccc1)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL233635 | 87231 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 429 | 7 | 0 | 2 | 6.3 | CN(Cc1ccccc1)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2007.01.050 | ||
| 44590849 | 176136 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 468 | 6 | 0 | 4 | 4.7 | Cc1ccnc(C)c1C(=O)N1CC(N(C)C2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2009.01.012 | ||
| CHEMBL459985 | 176136 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 468 | 6 | 0 | 4 | 4.7 | Cc1ccnc(C)c1C(=O)N1CC(N(C)C2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2009.01.012 | ||
| 10393635 | 172041 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 590 | 8 | 1 | 4 | 5.9 | O=C1CC(CCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 | 10.1021/jm800598a | ||
| CHEMBL449125 | 172041 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 590 | 8 | 1 | 4 | 5.9 | O=C1CC(CCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 | 10.1021/jm800598a | ||
| 44570307 | 177738 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 539 | 4 | 0 | 6 | 3.6 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC3(CC2)CCN(S(C)(=O)=O)CC3c2ccccc2)CC1 | 10.1016/j.bmcl.2008.10.115 | ||
| CHEMBL465106 | 177738 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 539 | 4 | 0 | 6 | 3.6 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC3(CC2)CCN(S(C)(=O)=O)CC3c2ccccc2)CC1 | 10.1016/j.bmcl.2008.10.115 | ||
| 483362 | 14357 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 619 | 14 | 0 | 7 | 6.6 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@H](C[C@H](C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| CHEMBL120204 | 14357 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 619 | 14 | 0 | 7 | 6.6 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@H](C[C@H](C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| 44404656 | 134753 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 551 | 10 | 1 | 5 | 4.9 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccc(N)cc2)c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL372640 | 134753 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 551 | 10 | 1 | 5 | 4.9 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccc(N)cc2)c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 3007227 | 59284 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 582 | 11 | 1 | 5 | 6.6 | CCc1cc(CCc2ccccc2)nn1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL171911 | 59284 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 582 | 11 | 1 | 5 | 6.6 | CCc1cc(CCc2ccccc2)nn1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| 11204472 | 60647 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 638 | 10 | 1 | 7 | 6.6 | COC(=O)c1cccc(OC(c2ccc(C(F)(F)F)cc2)C2CCN(C(C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)n1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762468 | 60647 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 638 | 10 | 1 | 7 | 6.6 | COC(=O)c1cccc(OC(c2ccc(C(F)(F)F)cc2)C2CCN(C(C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)n1 | 10.1016/j.bmcl.2011.02.058 | ||
| 10186910 | 94738 | 0 | None | - | 0 | Crab-eating macaque | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 533 | 6 | 0 | 6 | 4.9 | Cc1nc(CN(c2ccccc2)C2CCN(C3(C)CCN(C(=O)c4c(C)cc[n+]([O-])c4C)CC3)CC2)cs1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL255857 | 94738 | 0 | None | - | 0 | Crab-eating macaque | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 533 | 6 | 0 | 6 | 4.9 | Cc1nc(CN(c2ccccc2)C2CCN(C3(C)CCN(C(=O)c4c(C)cc[n+]([O-])c4C)CC3)CC2)cs1 | 10.1016/j.bmcl.2008.01.108 | ||
| 53322809 | 58149 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@@H]2CCOC[C@@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683060 | 58149 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@@H]2CCOC[C@@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 4716524 | 87043 | 4 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 353 | 6 | 1 | 2 | 4.8 | CCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL233385 | 87043 | 4 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 353 | 6 | 1 | 2 | 4.8 | CCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| 44431965 | 89466 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 522 | 7 | 2 | 5 | 4.5 | OC1CCN(CC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL237896 | 89466 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 522 | 7 | 2 | 5 | 4.5 | OC1CCN(CC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1 | 10.1007/s00044-012-0118-7 | ||
| 44374088 | 119573 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 480 | 8 | 0 | 3 | 6.9 | c1ccc(CCCC2CCN(C[C@@H]3[C@@H](c4ccccc4)CN4O[C@H](c5ccccc5)C[C@@H]34)CC2)cc1 | 10.1016/s0960-894x(01)00835-6 | ||
| CHEMBL350763 | 119573 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 480 | 8 | 0 | 3 | 6.9 | c1ccc(CCCC2CCN(C[C@@H]3[C@@H](c4ccccc4)CN4O[C@H](c5ccccc5)C[C@@H]34)CC2)cc1 | 10.1016/s0960-894x(01)00835-6 | ||
| 25230970 | 188036 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 590 | 7 | 0 | 7 | 3.3 | CCCCC1CN(S(=O)(=O)N2CCOCC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| CHEMBL502927 | 188036 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 590 | 7 | 0 | 7 | 3.3 | CCCCC1CN(S(=O)(=O)N2CCOCC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| 46888455 | 8679 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 447 | 7 | 1 | 3 | 4.2 | Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C(C)C)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1096447 | 8679 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 447 | 7 | 1 | 3 | 4.2 | Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C(C)C)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 44404644 | 134770 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 687 | 14 | 1 | 6 | 6.1 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL372733 | 134770 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 687 | 14 | 1 | 6 | 6.1 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 44573335 | 186718 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 509 | 5 | 1 | 5 | 5.0 | CN/C(=N/C#N)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL492960 | 186718 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 509 | 5 | 1 | 5 | 5.0 | CN/C(=N/C#N)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 11569805 | 13812 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)[C@H](CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL1196449 | 13812 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)[C@H](CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL556995 | 13812 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)[C@H](CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| 16730521 | 87405 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 613 | 10 | 3 | 4 | 7.0 | CCc1cccc(CC)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL233847 | 87405 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 613 | 10 | 3 | 4 | 7.0 | CCc1cccc(CC)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| 52944537 | 18128 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 529 | 8 | 0 | 5 | 4.4 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3cccc(F)c3)C3CCN(CC(F)F)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| CHEMBL1270693 | 18128 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 529 | 8 | 0 | 5 | 4.4 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3cccc(F)c3)C3CCN(CC(F)F)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| 11527582 | 76075 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 664 | 10 | 1 | 5 | 5.9 | CC(C)(C)NC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1021/jm051034q | ||
| CHEMBL205964 | 76075 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 664 | 10 | 1 | 5 | 5.9 | CC(C)(C)NC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1021/jm051034q | ||
| 10208080 | 12952 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 481 | 10 | 1 | 4 | 4.7 | C=CCOc1ccc(CN2CCC3(CC2)C(=O)NC(CC2CCCCC2)C(=O)N3CCCC)cc1 | 10.1021/jm060051s | ||
| CHEMBL1190106 | 12952 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 481 | 10 | 1 | 4 | 4.7 | C=CCOc1ccc(CN2CCC3(CC2)C(=O)NC(CC2CCCCC2)C(=O)N3CCCC)cc1 | 10.1021/jm060051s | ||
| CHEMBL540108 | 12952 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 481 | 10 | 1 | 4 | 4.7 | C=CCOc1ccc(CN2CCC3(CC2)C(=O)NC(CC2CCCCC2)C(=O)N3CCCC)cc1 | 10.1021/jm060051s | ||
| 44384969 | 167718 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 594 | 10 | 1 | 5 | 6.9 | CCn1ncc(C2(c3ccccc3)CC2)c1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL433980 | 167718 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 594 | 10 | 1 | 5 | 6.9 | CCn1ncc(C2(c3ccccc3)CC2)c1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| 5275835 | 122419 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 541 | 8 | 0 | 5 | 5.0 | CN(C[C@@](C)(CCN1CCC2C(CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2004.12.044 | ||
| CHEMBL360667 | 122419 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 541 | 8 | 0 | 5 | 5.0 | CN(C[C@@](C)(CCN1CCC2C(CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2004.12.044 | ||
| 59458213 | 92263 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 525 | 8 | 1 | 4 | 5.2 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)C)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435904 | 92263 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 525 | 8 | 1 | 4 | 5.2 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)C)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 516357 | 187675 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 568 | 9 | 2 | 4 | 6.7 | CC(C)(c1ccccc1)c1cc(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)[nH]n1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL499793 | 187675 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 568 | 9 | 2 | 4 | 6.7 | CC(C)(c1ccccc1)c1cc(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)[nH]n1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44384011 | 59639 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 568 | 9 | 2 | 4 | 6.7 | CC(C)(c1ccccc1)c1c[nH]nc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL173262 | 59639 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 568 | 9 | 2 | 4 | 6.7 | CC(C)(c1ccccc1)c1c[nH]nc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| 516357 | 187675 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 568 | 9 | 2 | 4 | 6.7 | CC(C)(c1ccccc1)c1cc(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)[nH]n1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL499793 | 187675 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 568 | 9 | 2 | 4 | 6.7 | CC(C)(c1ccccc1)c1cc(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)[nH]n1 | 10.1016/j.ejmech.2008.01.040 | ||
| 72714320 | 92249 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 546 | 8 | 1 | 5 | 5.2 | Cc1cccc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 | 10.1021/jm401101p | ||
| CHEMBL2435890 | 92249 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 546 | 8 | 1 | 5 | 5.2 | Cc1cccc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 | 10.1021/jm401101p | ||
| 505875 | 25770 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 487 | 8 | 0 | 5 | 4.8 | C=CCN(c1ncccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL135432 | 25770 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 487 | 8 | 0 | 5 | 4.8 | C=CCN(c1ncccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 505868 | 27571 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 488 | 8 | 0 | 4 | 5.6 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL137072 | 27571 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 488 | 8 | 0 | 4 | 5.6 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 20664115 | 179527 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3nnc4ccccn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL474838 | 179527 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3nnc4ccccn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44392220 | 64359 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 497 | 11 | 1 | 3 | 6.1 | C=CCN(C(=O)NCc1ccc(OC)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL181858 | 64359 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 497 | 11 | 1 | 3 | 6.1 | C=CCN(C(=O)NCc1ccc(OC)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 44392111 | 121999 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 485 | 10 | 0 | 4 | 5.7 | CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL360106 | 121999 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 485 | 10 | 0 | 4 | 5.7 | CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 16073672 | 140528 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 638 | 12 | 0 | 6 | 5.7 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(C(C)C)c2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| CHEMBL382436 | 140528 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 638 | 12 | 0 | 6 | 5.7 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(C(C)C)c2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| 479853 | 111521 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 544 | 8 | 0 | 6 | 4.4 | CN(CC(CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1cccs1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL328908 | 111521 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 544 | 8 | 0 | 6 | 4.4 | CN(CC(CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1cccs1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 479873 | 204744 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 494 | 9 | 0 | 3 | 5.8 | Cc1ccc(C(CCN2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)cc1F | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL88164 | 204744 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 494 | 9 | 0 | 3 | 5.8 | Cc1ccc(C(CCN2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)cc1F | 10.1016/s0960-894x(00)00639-9 | ||
| 479859 | 205042 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 490 | 10 | 0 | 3 | 5.9 | CCc1cccc(C(CCN2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)c1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL90141 | 205042 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 490 | 10 | 0 | 3 | 5.9 | CCc1cccc(C(CCN2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)c1 | 10.1016/s0960-894x(00)00639-9 | ||
| 479847 | 205259 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 606 | 8 | 0 | 5 | 5.6 | CN(CC(CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL91374 | 205259 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 606 | 8 | 0 | 5 | 5.6 | CN(CC(CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 474165 | 11182 | 2 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 481 | 6 | 1 | 2 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CC[N+]4(C)CCCCC4)cc2)CCO3)cc1 | 10.1021/jm9906264 | ||
| CHEMBL1179191 | 11182 | 2 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 481 | 6 | 1 | 2 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CC[N+]4(C)CCCCC4)cc2)CCO3)cc1 | 10.1021/jm9906264 | ||
| CHEMBL64163 | 11182 | 2 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 481 | 6 | 1 | 2 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CC[N+]4(C)CCCCC4)cc2)CCO3)cc1 | 10.1021/jm9906264 | ||
| 44392147 | 165749 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 516 | 11 | 0 | 5 | 5.4 | COc1cc(OC)c(OC)cc1CC(=O)N(C)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL427144 | 165749 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 516 | 11 | 0 | 5 | 5.4 | COc1cc(OC)c(OC)cc1CC(=O)N(C)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 16728626 | 90777 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 396 | 5 | 3 | 3 | 4.0 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL239998 | 90777 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 396 | 5 | 3 | 3 | 4.0 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12 | 10.1016/j.bmcl.2006.09.052 | ||
| 4716524 | 87043 | 4 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 353 | 6 | 1 | 2 | 4.8 | CCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL233385 | 87043 | 4 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 353 | 6 | 1 | 2 | 4.8 | CCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2007.01.050 | ||
| 44431965 | 89466 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 522 | 7 | 2 | 5 | 4.5 | OC1CCN(CC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL237896 | 89466 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 522 | 7 | 2 | 5 | 4.5 | OC1CCN(CC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| 474154 | 11178 | 2 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 451 | 6 | 1 | 1 | 6.5 | C[N+]1(CCc2ccc(NC(=O)C3=Cc4cc(-c5ccccc5)ccc4CC3)cc2)CCCCC1 | 10.1021/jm9906264 | ||
| CHEMBL1179158 | 11178 | 2 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 451 | 6 | 1 | 1 | 6.5 | C[N+]1(CCc2ccc(NC(=O)C3=Cc4cc(-c5ccccc5)ccc4CC3)cc2)CCCCC1 | 10.1021/jm9906264 | ||
| CHEMBL62611 | 11178 | 2 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 451 | 6 | 1 | 1 | 6.5 | C[N+]1(CCc2ccc(NC(=O)C3=Cc4cc(-c5ccccc5)ccc4CC3)cc2)CCCCC1 | 10.1021/jm9906264 | ||
| 483356 | 12250 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 647 | 14 | 0 | 7 | 7.2 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(C)(CC(C)(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| CHEMBL118544 | 12250 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 647 | 14 | 0 | 7 | 7.2 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(C)(CC(C)(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| 2600 | 3720 | 73 | None | -5 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 2608 | 3720 | 73 | None | -5 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 5405 | 3720 | 73 | None | -5 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| CHEMBL17157 | 3720 | 73 | None | -5 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| DB00342 | 3720 | 73 | None | -5 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 483332 | 4816 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 595 | 13 | 0 | 9 | 5.7 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(Cn2nnc(-c3ccccc3)n2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| CHEMBL104464 | 4816 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 595 | 13 | 0 | 9 | 5.7 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(Cn2nnc(-c3ccccc3)n2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| 483343 | 5049 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 536 | 11 | 0 | 5 | 6.7 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CCC(C)(Cn2cnc3ccccc32)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| CHEMBL105659 | 5049 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 536 | 11 | 0 | 5 | 6.7 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CCC(C)(Cn2cnc3ccccc32)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| 516346 | 130821 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 583 | 10 | 2 | 6 | 6.0 | CCn1nc(-c2ccc(CN)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL368757 | 130821 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 583 | 10 | 2 | 6 | 6.0 | CCn1nc(-c2ccc(CN)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| 155491018 | 173511 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4544504 | 173511 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 72711281 | 92260 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 547 | 8 | 1 | 6 | 4.6 | Cc1cccc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)n1 | 10.1021/jm401101p | ||
| CHEMBL2435901 | 92260 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 547 | 8 | 1 | 6 | 4.6 | Cc1cccc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)n1 | 10.1021/jm401101p | ||
| 5481712 | 105424 | 1 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 523 | 8 | 1 | 4 | 5.6 | CN(C[C@@H](CCN1CCC2(CC1)CNc1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL312808 | 105424 | 1 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 523 | 8 | 1 | 4 | 5.6 | CN(C[C@@H](CCN1CCC2(CC1)CNc1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| 16728630 | 150475 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 347 | 6 | 3 | 5 | 2.6 | N=C(N)N/N=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL395843 | 150475 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 347 | 6 | 3 | 5 | 2.6 | N=C(N)N/N=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| 486595 | 204208 | 1 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 510 | 9 | 0 | 3 | 6.3 | Cc1ccccc1C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL84120 | 204208 | 1 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 510 | 9 | 0 | 3 | 6.3 | Cc1ccccc1C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1007/s00044-011-9863-2 | ||
| 5481707 | 204873 | 1 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 612 | 8 | 0 | 6 | 5.7 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL88976 | 204873 | 1 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 612 | 8 | 0 | 6 | 5.7 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 | 10.1007/s00044-011-9863-2 | ||
| 25205767 | 7037 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 598 | 6 | 0 | 6 | 4.9 | Cc1cc(C#N)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CC4CCOCC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| CHEMBL1085225 | 7037 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 598 | 6 | 0 | 6 | 4.9 | Cc1cc(C#N)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CC4CCOCC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| 46890428 | 7148 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 599 | 6 | 0 | 7 | 4.3 | Cc1cc(C#N)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CC4CCOCC4)C[C@@H]3c3ccccn3)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| CHEMBL1085721 | 7148 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 599 | 6 | 0 | 7 | 4.3 | Cc1cc(C#N)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CC4CCOCC4)C[C@@H]3c3ccccn3)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| 46888565 | 8626 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 499 | 7 | 1 | 5 | 4.0 | Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1095827 | 8626 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 499 | 7 | 1 | 5 | 4.0 | Cc1cc(C#N)nc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 46888583 | 8903 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 557 | 8 | 1 | 5 | 4.7 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CCC(F)(F)CC3)c3cccc(F)c3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1098357 | 8903 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 557 | 8 | 1 | 5 | 4.7 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CCC(F)(F)CC3)c3cccc(F)c3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 505875 | 25770 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 487 | 8 | 0 | 5 | 4.8 | C=CCN(c1ncccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL135432 | 25770 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 487 | 8 | 0 | 5 | 4.8 | C=CCN(c1ncccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 505868 | 27571 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 488 | 8 | 0 | 4 | 5.6 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL137072 | 27571 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 488 | 8 | 0 | 4 | 5.6 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 44404724 | 134679 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 564 | 11 | 0 | 5 | 5.9 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(SC)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL372134 | 134679 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 564 | 11 | 0 | 5 | 5.9 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(SC)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 44401763 | 68290 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 487 | 8 | 1 | 6 | 4.3 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3nnc4ccccn34)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL191803 | 68290 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 487 | 8 | 1 | 6 | 4.3 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3nnc4ccccn34)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 44401863 | 69865 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 528 | 7 | 1 | 6 | 4.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3cnc4ccccc4c3=O)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL194078 | 69865 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 528 | 7 | 1 | 6 | 4.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3cnc4ccccc4c3=O)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 496985 | 106908 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 475 | 9 | 1 | 4 | 5.5 | OC1(CCCc2ccncc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00605-4 | ||
| CHEMBL317908 | 106908 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 475 | 9 | 1 | 4 | 5.5 | OC1(CCCc2ccncc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00605-4 | ||
| 505875 | 25770 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 487 | 8 | 0 | 5 | 4.8 | C=CCN(c1ncccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL135432 | 25770 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 487 | 8 | 0 | 5 | 4.8 | C=CCN(c1ncccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 505868 | 27571 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 488 | 8 | 0 | 4 | 5.6 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL137072 | 27571 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 488 | 8 | 0 | 4 | 5.6 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 20664115 | 179527 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3nnc4ccccn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL474838 | 179527 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3nnc4ccccn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 46883029 | 5710 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 571 | 7 | 0 | 7 | 4.8 | CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)cc(=O)oc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| CHEMBL1078712 | 5710 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 571 | 7 | 0 | 7 | 4.8 | CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)cc(=O)oc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| 44447735 | 94698 | 0 | None | - | 0 | Crab-eating macaque | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccn3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL255646 | 94698 | 0 | None | - | 0 | Crab-eating macaque | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccn3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 3008930 | 197003 | 1 | None | - | 0 | Crab-eating macaque | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL58004 | 197003 | 1 | None | - | 0 | Crab-eating macaque | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 11692945 | 76180 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 608 | 10 | 1 | 5 | 4.4 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccccc3C(N)=O)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL206088 | 76180 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 608 | 10 | 1 | 5 | 4.4 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccccc3C(N)=O)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 516352 | 167975 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 574 | 9 | 2 | 5 | 6.2 | COc1ccc(-c2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C5CCCCC5)C[C@@H]4c4cccc(F)c4)CC3)[nH]n2)cc1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL435526 | 167975 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 574 | 9 | 2 | 5 | 6.2 | COc1ccc(-c2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C5CCCCC5)C[C@@H]4c4cccc(F)c4)CC3)[nH]n2)cc1 | 10.1016/j.bmcl.2003.12.004 | ||
| 490008 | 205679 | 2 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 537 | 7 | 0 | 4 | 5.9 | COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL93961 | 205679 | 2 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 537 | 7 | 0 | 4 | 5.9 | COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| 489594 | 112259 | 2 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 520 | 5 | 0 | 4 | 4.2 | O=S(=O)(c1ccccc1)N1C[C@H](CN2CCC3(CC2)C[S+]([O-])c2ccccc23)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00232-3 | ||
| CHEMBL330528 | 112259 | 2 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 520 | 5 | 0 | 4 | 4.2 | O=S(=O)(c1ccccc1)N1C[C@H](CN2CCC3(CC2)C[S+]([O-])c2ccccc23)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00232-3 | ||
| 5481752 | 106411 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 641 | 8 | 0 | 5 | 6.5 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cnc2ccccc2c1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL314551 | 106411 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 641 | 8 | 0 | 5 | 6.5 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cnc2ccccc2c1 | 10.1016/s0960-894x(00)00637-5 | ||
| 5481707 | 204873 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 612 | 8 | 0 | 6 | 5.7 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL88976 | 204873 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 612 | 8 | 0 | 6 | 5.7 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 | 10.1016/s0960-894x(00)00637-5 | ||
| 54580468 | 60567 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 613 | 9 | 1 | 4 | 8.1 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2ccccc2Cl)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762319 | 60567 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 613 | 9 | 1 | 4 | 8.1 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2ccccc2Cl)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 44461623 | 167272 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 471 | 10 | 0 | 4 | 3.8 | CCN(C(C)=O)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL430818 | 167272 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 471 | 10 | 0 | 4 | 3.8 | CCN(C(C)=O)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 5481726 | 204047 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 564 | 9 | 0 | 3 | 7.0 | CN(C[C@@H](CCN1CCC(c2cccc(C(F)(F)F)c2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| CHEMBL82838 | 204047 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 564 | 9 | 0 | 3 | 7.0 | CN(C[C@@H](CCN1CCC(c2cccc(C(F)(F)F)c2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| 486608 | 204222 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 486 | 10 | 1 | 4 | 3.6 | CCN(C(=O)NC)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL84268 | 204222 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 486 | 10 | 1 | 4 | 3.6 | CCN(C(=O)NC)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 478308 | 110947 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 462 | 9 | 0 | 3 | 5.4 | CN(CC(CCN1CCC(c2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL327484 | 110947 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 462 | 9 | 0 | 3 | 5.4 | CN(CC(CCN1CCC(c2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 478418 | 85186 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 471 | 10 | 0 | 4 | 3.8 | CCN(C(C)=O)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL2282505 | 85186 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 471 | 10 | 0 | 4 | 3.8 | CCN(C(C)=O)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 478439 | 204152 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 458 | 9 | 2 | 4 | 2.9 | CNC(=O)NC1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL83773 | 204152 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 458 | 9 | 2 | 4 | 2.9 | CNC(=O)NC1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 16728630 | 150475 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 347 | 6 | 3 | 5 | 2.6 | N=C(N)N/N=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL395843 | 150475 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 347 | 6 | 3 | 5 | 2.6 | N=C(N)N/N=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 77281925 | 187174 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 447 | 5 | 4 | 5 | 3.4 | C/C=C(\C)[C@@H]1CC[C@@H]2C[C@H](C)C[C@H](C)[C@H]2[C@@H]1/C(O)=C1/C(=O)N[C@H](C[C@](C)(O)C(=O)O)C1=O | 10.1021/np060121y | ||
| CHEMBL495654 | 187174 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 447 | 5 | 4 | 5 | 3.4 | C/C=C(\C)[C@@H]1CC[C@@H]2C[C@H](C)C[C@H](C)[C@H]2[C@@H]1/C(O)=C1/C(=O)N[C@H](C[C@](C)(O)C(=O)O)C1=O | 10.1021/np060121y | ||
| 474151 | 11189 | 2 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 439 | 5 | 1 | 2 | 5.3 | C[N+]1(Cc2ccc(NC(=O)C3=Cc4cc(-c5ccccc5)ccc4CC3)cc2)CCOCC1 | 10.1021/jm9906264 | ||
| CHEMBL1179234 | 11189 | 2 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 439 | 5 | 1 | 2 | 5.3 | C[N+]1(Cc2ccc(NC(=O)C3=Cc4cc(-c5ccccc5)ccc4CC3)cc2)CCOCC1 | 10.1021/jm9906264 | ||
| CHEMBL65649 | 11189 | 2 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 439 | 5 | 1 | 2 | 5.3 | C[N+]1(Cc2ccc(NC(=O)C3=Cc4cc(-c5ccccc5)ccc4CC3)cc2)CCOCC1 | 10.1021/jm9906264 | ||
| 516346 | 130821 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 583 | 10 | 2 | 6 | 6.0 | CCn1nc(-c2ccc(CN)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL368757 | 130821 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 583 | 10 | 2 | 6 | 6.0 | CCn1nc(-c2ccc(CN)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 516346 | 130821 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 583 | 10 | 2 | 6 | 6.0 | CCn1nc(-c2ccc(CN)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL368757 | 130821 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 583 | 10 | 2 | 6 | 6.0 | CCn1nc(-c2ccc(CN)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 54581478 | 60558 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 538 | 6 | 1 | 5 | 5.3 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C2=NOCc3cc(Br)ccc32)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762309 | 60558 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 538 | 6 | 1 | 5 | 5.3 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C2=NOCc3cc(Br)ccc32)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 155554273 | 173641 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4548396 | 173641 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 44590395 | 178385 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 459 | 6 | 0 | 3 | 4.4 | Cc1cccc(C)c1C(=O)N1CCC(N2CC[C@H](N(Cc3ccccc3)C(=O)C3CC3)C2)CC1 | 10.1016/j.bmcl.2009.01.012 | ||
| CHEMBL470578 | 178385 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 459 | 6 | 0 | 3 | 4.4 | Cc1cccc(C)c1C(=O)N1CCC(N2CC[C@H](N(Cc3ccccc3)C(=O)C3CC3)C2)CC1 | 10.1016/j.bmcl.2009.01.012 | ||
| 66768640 | 120713 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 515 | 13 | 6 | 5 | 2.6 | CCC[C@H](O)[C@H](CNCC1CC1)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
| CHEMBL3577934 | 120713 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 515 | 13 | 6 | 5 | 2.6 | CCC[C@H](O)[C@H](CNCC1CC1)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
| 25131901 | 102807 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 546 | 7 | 0 | 4 | 7.2 | Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CCCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm800598a | ||
| CHEMBL3084490 | 102807 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 546 | 7 | 0 | 4 | 7.2 | Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CCCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm800598a | ||
| 3011725 | 70710 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 539 | 10 | 0 | 5 | 4.5 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)C2CCN(C)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951903 | 70710 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 539 | 10 | 0 | 5 | 4.5 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)C2CCN(C)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 44573098 | 186778 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 496 | 6 | 1 | 7 | 4.7 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(c2nnn[nH]2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL493312 | 186778 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 496 | 6 | 1 | 7 | 4.7 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(c2nnn[nH]2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 483347 | 106901 | 2 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 621 | 12 | 2 | 5 | 5.9 | CCN(C(=O)OCc1ccccc1)C1CCN(CCC(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00654-0 | ||
| CHEMBL317860 | 106901 | 2 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 621 | 12 | 2 | 5 | 5.9 | CCN(C(=O)OCc1ccccc1)C1CCN(CCC(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00654-0 | ||
| 46888582 | 8623 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 507 | 8 | 1 | 5 | 4.1 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CCCC3)c3cccc(F)c3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1095816 | 8623 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 507 | 8 | 1 | 5 | 4.1 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CCCC3)c3cccc(F)c3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 11421221 | 63432 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 530 | 11 | 0 | 4 | 5.3 | C=CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL180155 | 63432 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 530 | 11 | 0 | 4 | 5.3 | C=CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 44565874 | 178383 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 504 | 8 | 1 | 5 | 5.0 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3ncc4ccccn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL470512 | 178383 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 504 | 8 | 1 | 5 | 5.0 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3ncc4ccccn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 44573301 | 169083 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 554 | 6 | 0 | 6 | 6.9 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(/C(=N\C#N)SC(C)C)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL443730 | 169083 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 554 | 6 | 0 | 6 | 6.9 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(/C(=N\C#N)SC(C)C)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 44573341 | 187749 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 604 | 8 | 0 | 6 | 7.5 | COC(=O)C(c1cccc(C)c1C)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL500824 | 187749 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 604 | 8 | 0 | 6 | 7.5 | COC(=O)C(c1cccc(C)c1C)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 44573252 | 192500 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 509 | 7 | 0 | 6 | 6.1 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(Cc2ncco2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL522659 | 192500 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 509 | 7 | 0 | 6 | 6.1 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(Cc2ncco2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 44565874 | 178383 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 504 | 8 | 1 | 5 | 5.0 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3ncc4ccccn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL470512 | 178383 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 504 | 8 | 1 | 5 | 5.0 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3ncc4ccccn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 46880850 | 7398 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 469 | 7 | 1 | 6 | 3.9 | Cc1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCOCC1)c1cccc(F)c1 | 10.1016/j.bmcl.2010.01.080 | ||
| CHEMBL1087028 | 7398 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 469 | 7 | 1 | 6 | 3.9 | Cc1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCOCC1)c1cccc(F)c1 | 10.1016/j.bmcl.2010.01.080 | ||
| 56647076 | 92240 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 553 | 8 | 1 | 4 | 7.0 | O=C(O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| CHEMBL2435881 | 92240 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 553 | 8 | 1 | 4 | 7.0 | O=C(O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| 516188 | 60949 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 547 | 10 | 1 | 6 | 5.0 | CCn1nc(Cc2cccnc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL176655 | 60949 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 547 | 10 | 1 | 6 | 5.0 | CCn1nc(Cc2cccnc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 73355478 | 92236 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 509 | 7 | 0 | 3 | 7.3 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435877 | 92236 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 509 | 7 | 0 | 3 | 7.3 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 | 10.1021/jm401101p | ||
| 44590717 | 188966 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 475 | 10 | 1 | 3 | 5.0 | CCN(C(=O)Cc1ccccc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL514410 | 188966 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 475 | 10 | 1 | 3 | 5.0 | CCN(C(=O)Cc1ccccc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 72714078 | 92244 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 565 | 8 | 1 | 4 | 6.1 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435885 | 92244 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 565 | 8 | 1 | 4 | 6.1 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 5482810 | 106519 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 604 | 9 | 0 | 4 | 6.3 | CCN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL315293 | 106519 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 604 | 9 | 0 | 4 | 6.3 | CCN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00637-5 | ||
| 44404641 | 72191 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 637 | 12 | 1 | 5 | 6.4 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(NC(=O)c3ccccc3)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL199119 | 72191 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 637 | 12 | 1 | 5 | 6.4 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(NC(=O)c3ccccc3)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 54585384 | 60556 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 554 | 9 | 1 | 5 | 5.8 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C(C)CCNC(=O)c2c(Cl)cncc2Cl)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762307 | 60556 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 554 | 9 | 1 | 5 | 5.8 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C(C)CCNC(=O)c2c(Cl)cncc2Cl)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 11410758 | 60560 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 589 | 9 | 1 | 4 | 7.2 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2ccccc2)c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762312 | 60560 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 589 | 9 | 1 | 4 | 7.2 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2ccccc2)c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 11193076 | 60645 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 648 | 9 | 1 | 5 | 7.9 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2cccc(C(F)(F)F)n2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762466 | 60645 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 648 | 9 | 1 | 5 | 7.9 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2cccc(C(F)(F)F)n2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 57398009 | 67530 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 460 | 6 | 0 | 4 | 4.4 | COc1ccc(C)cc1S(=O)(=O)N1CCC(CN2CCC(c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2011.09.013 | ||
| CHEMBL1910168 | 67530 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 460 | 6 | 0 | 4 | 4.4 | COc1ccc(C)cc1S(=O)(=O)N1CCC(CN2CCC(c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2011.09.013 | ||
| 16728618 | 91374 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 404 | 6 | 3 | 5 | 2.6 | COC(=O)c1ccc(COc2ccc(Br)cc2/C=N/NC(=N)N)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL241251 | 91374 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 404 | 6 | 3 | 5 | 2.6 | COC(=O)c1ccc(COc2ccc(Br)cc2/C=N/NC(=N)N)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 11408704 | 86574 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 465 | 7 | 0 | 4 | 5.5 | CCOC(=O)C1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL232412 | 86574 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 465 | 7 | 0 | 4 | 5.5 | CCOC(=O)C1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| 44431953 | 87864 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 422 | 6 | 1 | 3 | 4.9 | NCC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL234844 | 87864 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 422 | 6 | 1 | 3 | 4.9 | NCC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| 44431926 | 144846 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 379 | 5 | 0 | 2 | 5.3 | Clc1ccc(COc2ccc(Br)cc2CN2CCCC2)cc1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL391378 | 144846 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 379 | 5 | 0 | 2 | 5.3 | Clc1ccc(COc2ccc(Br)cc2CN2CCCC2)cc1 | 10.1016/j.bmcl.2007.01.050 | ||
| 479838 | 111130 | 1 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 572 | 8 | 0 | 5 | 5.0 | CN(CC(CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccccc1Cl)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL328438 | 111130 | 1 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 572 | 8 | 0 | 5 | 5.0 | CN(CC(CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccccc1Cl)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 11408704 | 86574 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 465 | 7 | 0 | 4 | 5.5 | CCOC(=O)C1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL232412 | 86574 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 465 | 7 | 0 | 4 | 5.5 | CCOC(=O)C1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| 44431953 | 87864 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 422 | 6 | 1 | 3 | 4.9 | NCC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL234844 | 87864 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 422 | 6 | 1 | 3 | 4.9 | NCC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| 16728618 | 91374 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 404 | 6 | 3 | 5 | 2.6 | COC(=O)c1ccc(COc2ccc(Br)cc2/C=N/NC(=N)N)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL241251 | 91374 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 404 | 6 | 3 | 5 | 2.6 | COC(=O)c1ccc(COc2ccc(Br)cc2/C=N/NC(=N)N)cc1 | 10.1007/s00044-012-0118-7 | ||
| 44431926 | 144846 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 379 | 5 | 0 | 2 | 5.3 | Clc1ccc(COc2ccc(Br)cc2CN2CCCC2)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL391378 | 144846 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 379 | 5 | 0 | 2 | 5.3 | Clc1ccc(COc2ccc(Br)cc2CN2CCCC2)cc1 | 10.1007/s00044-012-0118-7 | ||
| 16073664 | 138220 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 626 | 12 | 0 | 7 | 4.6 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccc(OC)cc2)c2ccc(S(C)(=O)=O)cc2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| CHEMBL378035 | 138220 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 626 | 12 | 0 | 7 | 4.6 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccc(OC)cc2)c2ccc(S(C)(=O)=O)cc2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| 73355478 | 92236 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 509 | 7 | 0 | 3 | 7.3 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435877 | 92236 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 509 | 7 | 0 | 3 | 7.3 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1 | 10.1021/jm401101p | ||
| 52942058 | 18114 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 511 | 8 | 0 | 5 | 4.2 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(CC(F)F)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| CHEMBL1270594 | 18114 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 511 | 8 | 0 | 5 | 4.2 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(CC(F)F)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| 66768099 | 120711 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 517 | 13 | 6 | 5 | 2.9 | CCC[C@H](O)[C@H](CNCC(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
| CHEMBL3577932 | 120711 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 517 | 13 | 6 | 5 | 2.9 | CCC[C@H](O)[C@H](CNCC(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
| 16728643 | 147268 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 350 | 5 | 3 | 3 | 3.8 | C/C(=N\NC(=N)N)c1cc(Cl)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL393274 | 147268 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 350 | 5 | 3 | 3 | 3.8 | C/C(=N\NC(=N)N)c1cc(Cl)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| 76323541 | 85175 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 367 | 6 | 0 | 2 | 5.5 | CCN(CC)c1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL2281971 | 85175 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 367 | 6 | 0 | 2 | 5.5 | CCN(CC)c1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| 11350639 | 87639 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 381 | 7 | 0 | 2 | 5.5 | CCN(CC)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL234634 | 87639 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 381 | 7 | 0 | 2 | 5.5 | CCN(CC)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| 5481751 | 106490 | 1 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 641 | 8 | 0 | 5 | 6.5 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc2cccnc12 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL315084 | 106490 | 1 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 641 | 8 | 0 | 5 | 6.5 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc2cccnc12 | 10.1007/s00044-011-9863-2 | ||
| 44373973 | 50895 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 588 | 9 | 0 | 7 | 6.3 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@@H]2[C@@H](c3ccccc3)CN3OC4(CCCCC4)C[C@@H]23)CC1 | 10.1016/s0960-894x(01)00835-6 | ||
| CHEMBL157983 | 50895 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 588 | 9 | 0 | 7 | 6.3 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@@H]2[C@@H](c3ccccc3)CN3OC4(CCCCC4)C[C@@H]23)CC1 | 10.1016/s0960-894x(01)00835-6 | ||
| 44590583 | 174155 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 517 | 11 | 1 | 4 | 5.1 | CCN(C(=O)Cc1ccc(OC)cc1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL456019 | 174155 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 517 | 11 | 1 | 4 | 5.1 | CCN(C(=O)Cc1ccc(OC)cc1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 | 10.1016/j.bmcl.2009.01.009 | ||
| 3002977 | 2426 | 70 | None | -3 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2010.03.095 | ||
| 803 | 2426 | 70 | None | -3 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2010.03.095 | ||
| 806 | 2426 | 70 | None | -3 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1201187 | 2426 | 70 | None | -3 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL256907 | 2426 | 70 | None | -3 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL584744 | 2426 | 70 | None | -3 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2010.03.095 | ||
| DB04835 | 2426 | 70 | None | -3 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmcl.2010.03.095 | ||
| 46888563 | 8579 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 3.5 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1095517 | 8579 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 3.5 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 46888524 | 8803 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 513 | 7 | 1 | 3 | 5.4 | O=C(N[C@@H](CCN1C[C@H]2CN(C(=O)c3c(Cl)cccc3Cl)C[C@H]2C1)c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1097515 | 8803 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 513 | 7 | 1 | 3 | 5.4 | O=C(N[C@@H](CCN1C[C@H]2CN(C(=O)c3c(Cl)cccc3Cl)C[C@H]2C1)c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2010.03.095 | ||
| 505865 | 29066 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 516 | 8 | 0 | 4 | 6.0 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL138282 | 29066 | 1 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 516 | 8 | 0 | 4 | 6.0 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 44373973 | 50895 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 588 | 9 | 0 | 7 | 6.3 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@@H]2[C@@H](c3ccccc3)CN3OC4(CCCCC4)C[C@@H]23)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL157983 | 50895 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 588 | 9 | 0 | 7 | 6.3 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@@H]2[C@@H](c3ccccc3)CN3OC4(CCCCC4)C[C@@H]23)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 46882076 | 5534 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 567 | 7 | 0 | 7 | 4.5 | CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C1)CC2 | 10.1016/j.bmcl.2010.02.004 | ||
| CHEMBL1077358 | 5534 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 567 | 7 | 0 | 7 | 4.5 | CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C1)CC2 | 10.1016/j.bmcl.2010.02.004 | ||
| 72714076 | 92242 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 532 | 8 | 1 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435883 | 92242 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 532 | 8 | 1 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 72711740 | 92268 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 581 | 9 | 1 | 5 | 5.2 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(CC3CCOCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435909 | 92268 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 581 | 9 | 1 | 5 | 5.2 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(CC3CCOCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 16728643 | 147268 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 350 | 5 | 3 | 3 | 3.8 | C/C(=N\NC(=N)N)c1cc(Cl)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL393274 | 147268 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 350 | 5 | 3 | 3 | 3.8 | C/C(=N\NC(=N)N)c1cc(Cl)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 11444710 | 60570 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 590 | 9 | 1 | 5 | 6.6 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2ccccn2)c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762326 | 60570 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 590 | 9 | 1 | 5 | 6.6 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2ccccn2)c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 54581480 | 60573 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 604 | 9 | 1 | 5 | 6.9 | Cc1ccnc(OC(c2ccc(Br)cc2)C2CCN(C(C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)c1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762330 | 60573 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 604 | 9 | 1 | 5 | 6.9 | Cc1ccnc(OC(c2ccc(Br)cc2)C2CCN(C(C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)c1 | 10.1016/j.bmcl.2011.02.058 | ||
| 11490468 | 60579 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 614 | 9 | 1 | 5 | 7.5 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2ncccc2Cl)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762336 | 60579 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 614 | 9 | 1 | 5 | 7.5 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2ncccc2Cl)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 489811 | 111015 | 2 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 454 | 6 | 0 | 3 | 5.4 | COc1ccccc1C(=O)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL327800 | 111015 | 2 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 454 | 6 | 0 | 3 | 5.4 | COc1ccccc1C(=O)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| 489812 | 205339 | 2 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 454 | 6 | 0 | 3 | 5.4 | COc1cccc(C(=O)N2C[C@H](CN3CCC(c4ccccc4)CC3)[C@@H](c3ccccc3)C2)c1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL91793 | 205339 | 2 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 454 | 6 | 0 | 3 | 5.4 | COc1cccc(C(=O)N2C[C@H](CN3CCC(c4ccccc4)CC3)[C@@H](c3ccccc3)C2)c1 | 10.1016/s0960-894x(01)00545-5 | ||
| 478495 | 205201 | 1 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 626 | 14 | 0 | 4 | 7.2 | CCCCCCCCS(=O)(=O)N(C)C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL91045 | 205201 | 1 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 626 | 14 | 0 | 4 | 7.2 | CCCCCCCCS(=O)(=O)N(C)C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00637-5 | ||
| 44392155 | 65510 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 444 | 8 | 0 | 2 | 5.5 | CN(C(=O)Cc1cccc(F)c1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL183514 | 65510 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 444 | 8 | 0 | 2 | 5.5 | CN(C(=O)Cc1cccc(F)c1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 11350639 | 87639 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 381 | 7 | 0 | 2 | 5.5 | CCN(CC)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL234634 | 87639 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 381 | 7 | 0 | 2 | 5.5 | CCN(CC)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 11350639 | 87639 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 381 | 7 | 0 | 2 | 5.5 | CCN(CC)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL234634 | 87639 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 381 | 7 | 0 | 2 | 5.5 | CCN(CC)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2007.01.050 | ||
| 16728648 | 90790 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 3.9 | CN(/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C1=NCCN1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL240037 | 90790 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 3.9 | CN(/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C1=NCCN1 | 10.1016/j.bmcl.2006.09.052 | ||
| 10483364 | 192474 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 580 | 7 | 1 | 5 | 5.6 | O=C(c1ccco1)N1CCC(CCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1021/jm800598a | ||
| CHEMBL522493 | 192474 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 580 | 7 | 1 | 5 | 5.6 | O=C(c1ccco1)N1CCC(CCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1021/jm800598a | ||
| 16728788 | 83023 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 450 | 7 | 1 | 7 | 3.4 | Cc1cc(CN2CCN(C)CC2)ccc1NC(=O)CSc1nnc(C)n1-c1ccccc1 | 10.1021/jm061389p | ||
| CHEMBL219770 | 83023 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 450 | 7 | 1 | 7 | 3.4 | Cc1cc(CN2CCN(C)CC2)ccc1NC(=O)CSc1nnc(C)n1-c1ccccc1 | 10.1021/jm061389p | ||
| 16728648 | 90790 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 3.9 | CN(/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C1=NCCN1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL240037 | 90790 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 3.9 | CN(/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C1=NCCN1 | 10.1007/s00044-012-0118-7 | ||
| 25057602 | 5700 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 517 | 7 | 0 | 4 | 6.0 | CCCCC1N(Cc2ccccc2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| CHEMBL1078647 | 5700 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 517 | 7 | 0 | 4 | 6.0 | CCCCC1N(Cc2ccccc2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| 44590332 | 178472 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 487 | 7 | 1 | 3 | 4.8 | Cc1cccc(C)c1C(=O)N1CCC(N2CCC(CNC(=O)C3CC3)(Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2009.01.012 | ||
| CHEMBL471403 | 178472 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 487 | 7 | 1 | 3 | 4.8 | Cc1cccc(C)c1C(=O)N1CCC(N2CCC(CNC(=O)C3CC3)(Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2009.01.012 | ||
| 91884571 | 180878 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 471 | 5 | 3 | 5 | 2.5 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(C)(C)C)n2)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4764460 | 180878 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 471 | 5 | 3 | 5 | 2.5 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(C)(C)C)n2)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| 10053691 | 192034 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 566 | 6 | 1 | 5 | 5.2 | O=C(c1ccco1)N1CCC(CCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1021/jm800598a | ||
| CHEMBL521699 | 192034 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 566 | 6 | 1 | 5 | 5.2 | O=C(c1ccco1)N1CCC(CCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1021/jm800598a | ||
| 11246827 | 87547 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 407 | 5 | 0 | 3 | 4.8 | O=C1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL234206 | 87547 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 407 | 5 | 0 | 3 | 4.8 | O=C1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| 11177360 | 146732 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 409 | 5 | 1 | 3 | 4.6 | OC1CCCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL392868 | 146732 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 409 | 5 | 1 | 3 | 4.6 | OC1CCCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1 | 10.1007/s00044-012-0118-7 | ||
| 478494 | 204913 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 528 | 7 | 0 | 4 | 4.5 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(C)(=O)=O | 10.1007/s00044-011-9863-2 | ||
| CHEMBL89221 | 204913 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 528 | 7 | 0 | 4 | 4.5 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(C)(=O)=O | 10.1007/s00044-011-9863-2 | ||
| 76308985 | 85161 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 570 | 8 | 3 | 3 | 7.3 | Cc1ccc(NC(=O)NCC2(O)CCC(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL2281958 | 85161 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 570 | 8 | 3 | 3 | 7.3 | Cc1ccc(NC(=O)NCC2(O)CCC(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)cc1 | 10.1007/s00044-012-0118-7 | ||
| 5481716 | 204145 | 1 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 551 | 8 | 0 | 4 | 5.2 | CN1C(=O)c2ccccc2C12CCN(CC[C@H](CN(C)S(=O)(=O)c1ccccc1)c1cccc(Cl)c1)CC2 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL83745 | 204145 | 1 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 551 | 8 | 0 | 4 | 5.2 | CN1C(=O)c2ccccc2C12CCN(CC[C@H](CN(C)S(=O)(=O)c1ccccc1)c1cccc(Cl)c1)CC2 | 10.1007/s00044-011-9863-2 | ||
| 483335 | 5545 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 556 | 13 | 0 | 8 | 5.3 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(Cn2cnc(CC#N)c2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| CHEMBL107750 | 5545 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 556 | 13 | 0 | 8 | 5.3 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(Cn2cnc(CC#N)c2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| 483336 | 109166 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 562 | 13 | 0 | 9 | 5.2 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(Cn2cnc([N+](=O)[O-])c2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| CHEMBL322439 | 109166 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 562 | 13 | 0 | 9 | 5.2 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(Cn2cnc([N+](=O)[O-])c2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| 483330 | 110084 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 567 | 12 | 0 | 7 | 6.4 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(Cn2ncc3ccccc32)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| CHEMBL325357 | 110084 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 567 | 12 | 0 | 7 | 6.4 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(Cn2ncc3ccccc32)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| 46888454 | 8678 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 419 | 6 | 1 | 3 | 3.6 | CC(=O)N[C@@H](CCN1C[C@H]2CN(C(=O)c3c(C)cccc3C)C[C@H]2C1)c1ccccc1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1096446 | 8678 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 419 | 6 | 1 | 3 | 3.6 | CC(=O)N[C@@H](CCN1C[C@H]2CN(C(=O)c3c(C)cccc3C)C[C@H]2C1)c1ccccc1 | 10.1016/j.bmcl.2010.03.095 | ||
| 46888497 | 8878 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 475 | 7 | 1 | 4 | 3.6 | Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCOC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1098151 | 8878 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 475 | 7 | 1 | 4 | 3.6 | Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCOC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 57403931 | 70704 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 618 | 12 | 0 | 7 | 3.0 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCN(S(=O)(=O)CC)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951897 | 70704 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 618 | 12 | 0 | 7 | 3.0 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCN(S(=O)(=O)CC)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 44454999 | 97194 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 520 | 8 | 1 | 5 | 6.7 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1cccc(Cl)c1)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| CHEMBL271075 | 97194 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 520 | 8 | 1 | 5 | 6.7 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1cccc(Cl)c1)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| 46882077 | 5535 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 591 | 7 | 0 | 7 | 4.9 | CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1C[C@@H]3CN(C(=O)c4c(C)cc(C#N)nc4C)C[C@@H]3C1)CC2 | 10.1016/j.bmcl.2010.02.004 | ||
| CHEMBL1077359 | 5535 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 591 | 7 | 0 | 7 | 4.9 | CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1C[C@@H]3CN(C(=O)c4c(C)cc(C#N)nc4C)C[C@@H]3C1)CC2 | 10.1016/j.bmcl.2010.02.004 | ||
| 44461559 | 103693 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 569 | 12 | 0 | 5 | 6.0 | CCN(C(=O)OCC1CCCCC1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL309657 | 103693 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 569 | 12 | 0 | 5 | 6.0 | CCN(C(=O)OCC1CCCCC1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 44461521 | 167297 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 515 | 12 | 0 | 5 | 4.8 | CCCCN(C(=O)OC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL431009 | 167297 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 515 | 12 | 0 | 5 | 4.8 | CCCCN(C(=O)OC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 5481703 | 204077 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 572 | 8 | 0 | 5 | 5.0 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| CHEMBL83107 | 204077 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 572 | 8 | 0 | 5 | 5.0 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| 5481703 | 204077 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 572 | 8 | 0 | 5 | 5.0 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL83107 | 204077 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 572 | 8 | 0 | 5 | 5.0 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 490011 | 110905 | 2 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 495 | 7 | 0 | 4 | 5.1 | COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL327186 | 110905 | 2 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 495 | 7 | 0 | 4 | 5.1 | COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| 44461559 | 103693 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 569 | 12 | 0 | 5 | 6.0 | CCN(C(=O)OCC1CCCCC1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL309657 | 103693 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 569 | 12 | 0 | 5 | 6.0 | CCN(C(=O)OCC1CCCCC1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 44461521 | 167297 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 515 | 12 | 0 | 5 | 4.8 | CCCCN(C(=O)OC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL431009 | 167297 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 515 | 12 | 0 | 5 | 4.8 | CCCCN(C(=O)OC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 73346389 | 92238 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 580 | 8 | 0 | 4 | 7.0 | CN(C)C(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| CHEMBL2435879 | 92238 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 580 | 8 | 0 | 4 | 7.0 | CN(C)C(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| 16041594 | 92208 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 555 | 8 | 1 | 5 | 5.8 | O=C(O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| CHEMBL2435849 | 92208 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 555 | 8 | 1 | 5 | 5.8 | O=C(O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| 25132254 | 62533 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 532 | 6 | 0 | 4 | 6.8 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm200279v | ||
| CHEMBL1784384 | 62533 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 532 | 6 | 0 | 4 | 6.8 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm200279v | ||
| 54582110 | 62552 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 600 | 6 | 0 | 4 | 8.1 | Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm200279v | ||
| CHEMBL1784479 | 62552 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 600 | 6 | 0 | 4 | 8.1 | Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm200279v | ||
| 25133962 | 102812 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 600 | 6 | 0 | 4 | 8.1 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm800598a | ||
| CHEMBL3084495 | 102812 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 600 | 6 | 0 | 4 | 8.1 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm800598a | ||
| 478501 | 105499 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 651 | 9 | 0 | 7 | 5.5 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL313072 | 105499 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 651 | 9 | 0 | 7 | 5.5 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 | 10.1016/s0960-894x(00)00637-5 | ||
| 44392130 | 121862 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 471 | 9 | 0 | 4 | 5.3 | CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL360044 | 121862 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 471 | 9 | 0 | 4 | 5.3 | CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 11246827 | 87547 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 407 | 5 | 0 | 3 | 4.8 | O=C1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL234206 | 87547 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 407 | 5 | 0 | 3 | 4.8 | O=C1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| 11177360 | 146732 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 409 | 5 | 1 | 3 | 4.6 | OC1CCCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL392868 | 146732 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 409 | 5 | 1 | 3 | 4.6 | OC1CCCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2007.01.050 | ||
| 44461774 | 168547 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 473 | 9 | 0 | 5 | 3.6 | COC(=O)N(C)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL440137 | 168547 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 473 | 9 | 0 | 5 | 3.6 | COC(=O)N(C)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 489835 | 206070 | 2 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 428 | 6 | 0 | 2 | 5.9 | Fc1cccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CN2CCC(c3ccccc3)CC2)c1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL96217 | 206070 | 2 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 428 | 6 | 0 | 2 | 5.9 | Fc1cccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CN2CCC(c3ccccc3)CC2)c1 | 10.1016/s0960-894x(01)00545-5 | ||
| 44431969 | 89531 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 575 | 8 | 3 | 4 | 6.0 | O=C(NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL238118 | 89531 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 575 | 8 | 3 | 4 | 6.0 | O=C(NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1 | 10.1016/j.bmcl.2007.01.050 | ||
| 483360 | 12206 | 1 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 569 | 14 | 0 | 6 | 7.0 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(CCC(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| CHEMBL118501 | 12206 | 1 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 569 | 14 | 0 | 6 | 7.0 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(CCC(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| 3010252 | 113306 | 1 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 585 | 14 | 0 | 7 | 6.0 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(CC(C)S(=O)(=O)C(C)C)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| CHEMBL332458 | 113306 | 1 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 585 | 14 | 0 | 7 | 6.0 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(CC(C)S(=O)(=O)C(C)C)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| 44461774 | 168547 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 473 | 9 | 0 | 5 | 3.6 | COC(=O)N(C)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL440137 | 168547 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 473 | 9 | 0 | 5 | 3.6 | COC(=O)N(C)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 473305 | 111810 | 2 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 460 | 6 | 0 | 3 | 5.0 | O=S(=O)(c1ccccc1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL329131 | 111810 | 2 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 460 | 6 | 0 | 3 | 5.0 | O=S(=O)(c1ccccc1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| 72714318 | 92247 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 550 | 8 | 1 | 5 | 5.0 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccccc2F)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435888 | 92247 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 550 | 8 | 1 | 5 | 5.0 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccccc2F)CC1 | 10.1021/jm401101p | ||
| 489807 | 205563 | 2 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 438 | 6 | 0 | 2 | 5.4 | O=C(Cc1ccccc1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL93229 | 205563 | 2 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 438 | 6 | 0 | 2 | 5.4 | O=C(Cc1ccccc1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| 155531379 | 171039 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 532 | 7 | 1 | 5 | 2.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](N(C)S(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
| CHEMBL4465351 | 171039 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 532 | 7 | 1 | 5 | 2.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](N(C)S(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
| 54581070 | 62542 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 610 | 7 | 0 | 6 | 6.2 | Cc1nc2cc(S(C)(=O)=O)ccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm200279v | ||
| CHEMBL1784399 | 62542 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 610 | 7 | 0 | 6 | 6.2 | Cc1nc2cc(S(C)(=O)=O)ccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm200279v | ||
| 23294214 | 168594 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 590 | 7 | 1 | 4 | 6.9 | O=C(c1ccccc1)N1CCCC(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1021/jm800598a | ||
| CHEMBL440465 | 168594 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 590 | 7 | 1 | 4 | 6.9 | O=C(c1ccccc1)N1CCCC(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1021/jm800598a | ||
| 16728619 | 90210 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 404 | 6 | 3 | 5 | 2.6 | COC(=O)c1cccc(COc2ccc(Br)cc2/C=N/NC(=N)N)c1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL238949 | 90210 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 404 | 6 | 3 | 5 | 2.6 | COC(=O)c1cccc(COc2ccc(Br)cc2/C=N/NC(=N)N)c1 | 10.1007/s00044-012-0118-7 | ||
| 483337 | 5030 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 585 | 12 | 0 | 7 | 6.6 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(Cn2cnc(Cl)c2Cl)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| CHEMBL105572 | 5030 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 585 | 12 | 0 | 7 | 6.6 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(Cn2cnc(Cl)c2Cl)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| 516345 | 59506 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 579 | 9 | 1 | 6 | 6.4 | CCn1nc(-c2ccc(C#N)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL172761 | 59506 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 579 | 9 | 1 | 6 | 6.4 | CCn1nc(-c2ccc(C#N)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3013673 | 76606 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 461 | 8 | 0 | 3 | 4.6 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc2)CC1 | 10.1021/jm051034q | ||
| CHEMBL207085 | 76606 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 461 | 8 | 0 | 3 | 4.6 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc2)CC1 | 10.1021/jm051034q | ||
| 516349 | 59554 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 622 | 9 | 1 | 5 | 7.8 | CCn1nc(-c2cccc3ccccc23)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL172944 | 59554 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 622 | 9 | 1 | 5 | 7.8 | CCn1nc(-c2cccc3ccccc23)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| 516345 | 59506 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 579 | 9 | 1 | 6 | 6.4 | CCn1nc(-c2ccc(C#N)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL172761 | 59506 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 579 | 9 | 1 | 6 | 6.4 | CCn1nc(-c2ccc(C#N)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| 6320581 | 122272 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 527 | 8 | 0 | 5 | 4.8 | CN(C[C@@H](CCN1CCC2C(CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2004.12.044 | ||
| CHEMBL360522 | 122272 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 527 | 8 | 0 | 5 | 4.8 | CN(C[C@@H](CCN1CCC2C(CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2004.12.044 | ||
| 72714076 | 92242 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 532 | 8 | 1 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435883 | 92242 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 532 | 8 | 1 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 5482811 | 112328 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 620 | 9 | 0 | 5 | 6.0 | CCN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL330734 | 112328 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 620 | 9 | 0 | 5 | 6.0 | CCN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00637-5 | ||
| 479868 | 205356 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 490 | 9 | 0 | 3 | 6.0 | Cc1cc(C)cc(C(CCN2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)c1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL91892 | 205356 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 490 | 9 | 0 | 3 | 6.0 | Cc1cc(C)cc(C(CCN2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)c1 | 10.1016/s0960-894x(00)00639-9 | ||
| 5482807 | 106375 | 1 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 560 | 8 | 1 | 4 | 6.6 | O=S(=O)(NC[C@@H](CCN1CCC2(CC1)CSc1ccccc12)c1ccc(Cl)c(Cl)c1)c1ccccc1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL314486 | 106375 | 1 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 560 | 8 | 1 | 4 | 6.6 | O=S(=O)(NC[C@@H](CCN1CCC2(CC1)CSc1ccccc12)c1ccc(Cl)c(Cl)c1)c1ccccc1 | 10.1016/s0960-894x(00)00637-5 | ||
| 16728619 | 90210 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 404 | 6 | 3 | 5 | 2.6 | COC(=O)c1cccc(COc2ccc(Br)cc2/C=N/NC(=N)N)c1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL238949 | 90210 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 404 | 6 | 3 | 5 | 2.6 | COC(=O)c1cccc(COc2ccc(Br)cc2/C=N/NC(=N)N)c1 | 10.1016/j.bmcl.2006.09.052 | ||
| 11534473 | 90268 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 594 | 14 | 1 | 5 | 8.0 | CCN(CC)CCCC(NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)C(C)C | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL239144 | 90268 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 594 | 14 | 1 | 5 | 8.0 | CCN(CC)CCCC(NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)C(C)C | 10.1016/j.bmcl.2006.10.060 | ||
| 57400373 | 70708 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 615 | 12 | 0 | 5 | 6.0 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCC(Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951901 | 70708 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 615 | 12 | 0 | 5 | 6.0 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCC(Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 42606792 | 109320 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 517 | 7 | 1 | 5 | 3.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
| CHEMBL3233178 | 109320 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 517 | 7 | 1 | 5 | 3.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
| 44564931 | 188919 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 467 | 8 | 1 | 6 | 4.4 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CCOCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL514000 | 188919 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 467 | 8 | 1 | 6 | 4.4 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CCOCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| 76319890 | 85168 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 662 | 8 | 3 | 3 | 8.3 | Cc1cc(Br)cc(C)c1NC(=O)NCC1(O)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL2281965 | 85168 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 662 | 8 | 3 | 3 | 8.3 | Cc1cc(Br)cc(C)c1NC(=O)NCC1(O)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| 11267381 | 87403 | 2 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 325 | 4 | 1 | 2 | 4.1 | NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL233845 | 87403 | 2 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 325 | 4 | 1 | 2 | 4.1 | NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| 16728622 | 90650 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 360 | 5 | 3 | 3 | 3.2 | Cc1cccc(COc2ccc(Br)cc2/C=N/NC(=N)N)c1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL239783 | 90650 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 360 | 5 | 3 | 3 | 3.2 | Cc1cccc(COc2ccc(Br)cc2/C=N/NC(=N)N)c1 | 10.1007/s00044-012-0118-7 | ||
| 16728616 | 91139 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 391 | 6 | 3 | 5 | 2.8 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL240638 | 91139 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 391 | 6 | 3 | 5 | 2.8 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 | 10.1007/s00044-012-0118-7 | ||
| 16728625 | 146995 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 422 | 6 | 3 | 3 | 4.5 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc(-c2ccccc2)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL393068 | 146995 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 422 | 6 | 3 | 3 | 4.5 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc(-c2ccccc2)cc1 | 10.1007/s00044-012-0118-7 | ||
| 11690481 | 83111 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 4.5 | Cc1nc2ccccc2n1C1[C@@H]2CN(CC[C@H](NC(=O)C3CCC3)c3ccccc3)C[C@H]12 | 10.1111/j.1747-0285.2006.00376.x | ||
| CHEMBL2203618 | 83111 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 4.5 | Cc1nc2ccccc2n1C1[C@@H]2CN(CC[C@H](NC(=O)C3CCC3)c3ccccc3)C[C@H]12 | 10.1111/j.1747-0285.2006.00376.x | ||
| 10228761 | 13816 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 463 | 8 | 1 | 4 | 4.6 | CCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL1196469 | 13816 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 463 | 8 | 1 | 4 | 4.6 | CCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL557150 | 13816 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 463 | 8 | 1 | 4 | 4.6 | CCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1021/jm060051s | ||
| 490010 | 206074 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 509 | 7 | 0 | 4 | 5.5 | COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL96242 | 206074 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 509 | 7 | 0 | 4 | 5.5 | COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| 54581076 | 62555 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 562 | 7 | 0 | 5 | 6.8 | COc1cccc(C(=O)N2CCC(CCN3C4CCC3CC(n3c(C)nc5ccccc53)C4)(c3ccccc3)CC2)c1 | 10.1021/jm200279v | ||
| CHEMBL1784483 | 62555 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 562 | 7 | 0 | 5 | 6.8 | COc1cccc(C(=O)N2CCC(CCN3C4CCC3CC(n3c(C)nc5ccccc53)C4)(c3ccccc3)CC2)c1 | 10.1021/jm200279v | ||
| 44590718 | 174229 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 505 | 11 | 1 | 4 | 5.0 | CCN(C(=O)Cc1ccccc1OC)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL456224 | 174229 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 505 | 11 | 1 | 4 | 5.0 | CCN(C(=O)Cc1ccccc1OC)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 489595 | 167317 | 2 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 536 | 5 | 0 | 5 | 3.9 | O=S1(=O)CC2(CCN(C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3c3ccccc3)CC2)c2ccccc21 | 10.1016/s0960-894x(01)00232-3 | ||
| CHEMBL431111 | 167317 | 2 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 536 | 5 | 0 | 5 | 3.9 | O=S1(=O)CC2(CCN(C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3c3ccccc3)CC2)c2ccccc21 | 10.1016/s0960-894x(01)00232-3 | ||
| 44431976 | 146901 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 663 | 8 | 3 | 4 | 7.2 | Cc1cc(Br)cc(C)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL393002 | 146901 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 663 | 8 | 3 | 4 | 7.2 | Cc1cc(Br)cc(C)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| 16728622 | 90650 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 360 | 5 | 3 | 3 | 3.2 | Cc1cccc(COc2ccc(Br)cc2/C=N/NC(=N)N)c1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL239783 | 90650 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 360 | 5 | 3 | 3 | 3.2 | Cc1cccc(COc2ccc(Br)cc2/C=N/NC(=N)N)c1 | 10.1016/j.bmcl.2006.09.052 | ||
| 16728616 | 91139 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 391 | 6 | 3 | 5 | 2.8 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL240638 | 91139 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 391 | 6 | 3 | 5 | 2.8 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 | 10.1016/j.bmcl.2006.09.052 | ||
| 16728625 | 146995 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 422 | 6 | 3 | 3 | 4.5 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL393068 | 146995 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 422 | 6 | 3 | 3 | 4.5 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 11267381 | 87403 | 2 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 325 | 4 | 1 | 2 | 4.1 | NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL233845 | 87403 | 2 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 325 | 4 | 1 | 2 | 4.1 | NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2007.01.050 | ||
| 1167892 | 83025 | 1 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 463 | 9 | 1 | 6 | 4.7 | Cc1ccc(NC(=O)CSc2nnc(CCN3CCCCC3)n2Cc2ccccc2)c(C)c1 | 10.1021/jm061389p | ||
| CHEMBL219781 | 83025 | 1 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 463 | 9 | 1 | 6 | 4.7 | Cc1ccc(NC(=O)CSc2nnc(CCN3CCCCC3)n2Cc2ccccc2)c(C)c1 | 10.1021/jm061389p | ||
| 54587374 | 60553 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 516 | 8 | 1 | 5 | 4.0 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C(C)CNC(=O)c2c(C)cc[n+]([O-])c2C)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762303 | 60553 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 516 | 8 | 1 | 5 | 4.0 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C(C)CNC(=O)c2c(C)cc[n+]([O-])c2C)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 72714317 | 92246 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 546 | 8 | 1 | 5 | 5.2 | Cc1ccccc1C1CN(C2CCCCC2)C(=O)N1C1CCN(C(C)CCNC(=O)c2c(C)ncnc2C)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435887 | 92246 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 546 | 8 | 1 | 5 | 5.2 | Cc1ccccc1C1CN(C2CCCCC2)C(=O)N1C1CCN(C(C)CCNC(=O)c2c(C)ncnc2C)CC1 | 10.1021/jm401101p | ||
| 72711050 | 92254 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 590 | 9 | 1 | 7 | 4.7 | COC(=O)c1cccc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 | 10.1021/jm401101p | ||
| CHEMBL2435895 | 92254 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 590 | 9 | 1 | 7 | 4.7 | COC(=O)c1cccc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 | 10.1021/jm401101p | ||
| 44565035 | 186238 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 468 | 7 | 1 | 6 | 3.9 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)N2CCOCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL489323 | 186238 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 468 | 7 | 1 | 6 | 3.9 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)N2CCOCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| 54585369 | 60252 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 568 | 9 | 1 | 5 | 6.2 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C(C)(C)CCNC(=O)c2c(Cl)cncc2Cl)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1760024 | 60252 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 568 | 9 | 1 | 5 | 6.2 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C(C)(C)CCNC(=O)c2c(Cl)cncc2Cl)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 54580093 | 62551 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 550 | 6 | 0 | 4 | 6.9 | Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccc(F)cc2)CC1 | 10.1021/jm200279v | ||
| CHEMBL1784478 | 62551 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 550 | 6 | 0 | 4 | 6.9 | Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccc(F)cc2)CC1 | 10.1021/jm200279v | ||
| 54583049 | 62536 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 526 | 5 | 0 | 5 | 5.7 | Cc1nc2ccccc2n1C1CC2CCC(C1)N2CC(=O)C1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 | 10.1021/jm200279v | ||
| CHEMBL1784388 | 62536 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 526 | 5 | 0 | 5 | 5.7 | Cc1nc2ccccc2n1C1CC2CCC(C1)N2CC(=O)C1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 | 10.1021/jm200279v | ||
| 478495 | 205201 | 1 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 626 | 14 | 0 | 4 | 7.2 | CCCCCCCCS(=O)(=O)N(C)C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL91045 | 205201 | 1 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 626 | 14 | 0 | 4 | 7.2 | CCCCCCCCS(=O)(=O)N(C)C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1 | 10.1007/s00044-011-9863-2 | ||
| 162668957 | 182178 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 495 | 5 | 3 | 7 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(C)(C)C)nc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4790208 | 182178 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 495 | 5 | 3 | 7 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(C)(C)C)nc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| 25230826 | 169455 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 582 | 7 | 0 | 7 | 4.5 | CCCCC1CN(S(=O)(=O)c2ccccn2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| CHEMBL444255 | 169455 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 582 | 7 | 0 | 7 | 4.5 | CCCCC1CN(S(=O)(=O)c2ccccn2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| 483345 | 4904 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 588 | 10 | 2 | 6 | 5.4 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CCC(C)(c2ccccc2)C2Nc3ccccc3S(=O)(=O)N2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| CHEMBL104867 | 4904 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 588 | 10 | 2 | 6 | 5.4 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CCC(C)(c2ccccc2)C2Nc3ccccc3S(=O)(=O)N2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| 44335765 | 5365 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 610 | 12 | 0 | 6 | 6.7 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(C)(c2ccccc2)C2c3ccccc3C(=O)N2CC)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| CHEMBL107380 | 5365 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 610 | 12 | 0 | 6 | 6.7 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(C)(c2ccccc2)C2c3ccccc3C(=O)N2CC)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| 46888496 | 8877 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 471 | 7 | 1 | 4 | 4.5 | Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)c3ccoc3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1098150 | 8877 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 471 | 7 | 1 | 4 | 4.5 | Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)c3ccoc3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 44404643 | 71878 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 611 | 12 | 1 | 6 | 4.5 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(NS(C)(=O)=O)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL198114 | 71878 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 611 | 12 | 1 | 6 | 4.5 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(NS(C)(=O)=O)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 44392096 | 131263 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 10 | 0 | 4 | 5.2 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL369311 | 131263 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 10 | 0 | 4 | 5.2 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 56647023 | 92239 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 552 | 8 | 1 | 4 | 6.4 | NC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| CHEMBL2435880 | 92239 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 552 | 8 | 1 | 4 | 6.4 | NC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| 44573299 | 188263 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 555 | 7 | 0 | 4 | 7.2 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)N(C(C)C)C(C)C)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL506788 | 188263 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 555 | 7 | 0 | 4 | 7.2 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)N(C(C)C)C(C)C)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 46882872 | 5613 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 509 | 7 | 0 | 4 | 5.9 | CCCCC1N(CC2CCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| CHEMBL1077989 | 5613 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 509 | 7 | 0 | 4 | 5.9 | CCCCC1N(CC2CCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| 46864993 | 6159 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 455 | 7 | 1 | 6 | 3.2 | Cc1nnc(C)n1[C@@H]1C[C@@H]2CN(CC[C@H](NC(=O)C3CCOC3)c3cccc(F)c3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.01.080 | ||
| CHEMBL1081486 | 6159 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 455 | 7 | 1 | 6 | 3.2 | Cc1nnc(C)n1[C@@H]1C[C@@H]2CN(CC[C@H](NC(=O)C3CCOC3)c3cccc(F)c3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.01.080 | ||
| 53321616 | 58152 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683063 | 58152 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 68769802 | 120727 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 493 | 7 | 1 | 6 | 4.2 | COC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | ||
| CHEMBL3577949 | 120727 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 493 | 7 | 1 | 6 | 4.2 | COC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | ||
| 3010256 | 188673 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 527 | 8 | 1 | 5 | 6.3 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(-c4ccccc4)no3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL511806 | 188673 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 527 | 8 | 1 | 5 | 6.3 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(-c4ccccc4)no3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3010256 | 188673 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 527 | 8 | 1 | 5 | 6.3 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(-c4ccccc4)no3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL511806 | 188673 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 527 | 8 | 1 | 5 | 6.3 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(-c4ccccc4)no3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| 3010256 | 188673 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 527 | 8 | 1 | 5 | 6.3 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(-c4ccccc4)no3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL511806 | 188673 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 527 | 8 | 1 | 5 | 6.3 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(-c4ccccc4)no3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 72711278 | 92257 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 564 | 8 | 1 | 5 | 5.3 | Cc1cc(F)cc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 | 10.1021/jm401101p | ||
| CHEMBL2435898 | 92257 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 564 | 8 | 1 | 5 | 5.3 | Cc1cc(F)cc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 | 10.1021/jm401101p | ||
| 15950679 | 92227 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 495 | 6 | 0 | 4 | 5.9 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3cncnc3)cc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435868 | 92227 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 495 | 6 | 0 | 4 | 5.9 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3cncnc3)cc2)CC1 | 10.1021/jm401101p | ||
| 44392094 | 165721 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 497 | 11 | 0 | 4 | 5.8 | C=CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL426960 | 165721 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 497 | 11 | 0 | 4 | 5.8 | C=CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 54586286 | 60496 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 516 | 9 | 1 | 5 | 4.0 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(CCCNC(=O)c2c(C)cc[n+]([O-])c2C)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762143 | 60496 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 516 | 9 | 1 | 5 | 4.0 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(CCCNC(=O)c2c(C)cc[n+]([O-])c2C)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 5481711 | 204237 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 522 | 8 | 0 | 3 | 6.1 | CN(C[C@@H](CCN1CCC2(CCc3ccccc32)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| CHEMBL84374 | 204237 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 522 | 8 | 0 | 3 | 6.1 | CN(C[C@@H](CCN1CCC2(CCc3ccccc32)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| 479872 | 204756 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 494 | 9 | 0 | 3 | 5.8 | Cc1cc(C(CCN2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)ccc1F | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL88219 | 204756 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 494 | 9 | 0 | 3 | 5.8 | Cc1cc(C(CCN2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)ccc1F | 10.1016/s0960-894x(00)00639-9 | ||
| 479852 | 205069 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 528 | 8 | 0 | 5 | 4.7 | CN(CC(CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1cccs1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL90291 | 205069 | 1 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 528 | 8 | 0 | 5 | 4.7 | CN(CC(CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1cccs1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 44392211 | 122775 | 4 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 433 | 7 | 1 | 2 | 5.6 | CN(C(=O)NC1CCCCC1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL361444 | 122775 | 4 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 433 | 7 | 1 | 2 | 5.6 | CN(C(=O)NC1CCCCC1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 72714077 | 92243 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 532 | 8 | 1 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435884 | 92243 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 532 | 8 | 1 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 44590944 | 189290 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 396 | 7 | 1 | 5 | 4.0 | Cc1nnc(C2CCN(C(C)C[C@H](NC(=O)C3CCC3)c3ccccc3)CC2)o1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL516939 | 189290 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 396 | 7 | 1 | 5 | 4.0 | Cc1nnc(C2CCN(C(C)C[C@H](NC(=O)C3CCC3)c3ccccc3)CC2)o1 | 10.1016/j.bmcl.2009.01.009 | ||
| 44565036 | 186274 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 481 | 7 | 1 | 6 | 3.8 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)N2CCN(C)CC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL489512 | 186274 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 481 | 7 | 1 | 6 | 3.8 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)N2CCN(C)CC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| 24794656 | 180294 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 450 | 4 | 3 | 6 | 2.0 | CC(=O)N[C@@H]1C[C@H](N)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4757452 | 180294 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 450 | 4 | 3 | 6 | 2.0 | CC(=O)N[C@@H]1C[C@H](N)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| 9915724 | 76939 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 556 | 12 | 1 | 5 | 5.4 | COP(=O)(CCC1CCN(C[C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1)c1ccccc1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL20818 | 76939 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 556 | 12 | 1 | 5 | 5.4 | COP(=O)(CCC1CCN(C[C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1)c1ccccc1 | 10.1016/s0960-894x(02)00829-6 | ||
| 25230771 | 171995 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 581 | 7 | 0 | 6 | 5.1 | CCCCC1CN(S(=O)(=O)c2ccccc2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| CHEMBL448610 | 171995 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 581 | 7 | 0 | 6 | 5.1 | CCCCC1CN(S(=O)(=O)c2ccccc2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| 25230773 | 172250 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 563 | 7 | 0 | 5 | 5.5 | CCCCC1C(=O)N(Cc2ccc(F)cc2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| CHEMBL451400 | 172250 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 563 | 7 | 0 | 5 | 5.5 | CCCCC1C(=O)N(Cc2ccc(F)cc2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| 44570267 | 176866 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 587 | 7 | 0 | 6 | 4.6 | CCCC[C@H]1CN(S(=O)(=O)CC(F)(F)F)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| CHEMBL463874 | 176866 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 587 | 7 | 0 | 6 | 4.6 | CCCC[C@H]1CN(S(=O)(=O)CC(F)(F)F)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| 46888544 | 8688 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 464 | 7 | 1 | 5 | 3.7 | Cc1noc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1096486 | 8688 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 464 | 7 | 1 | 5 | 3.7 | Cc1noc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 44404650 | 133030 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 570 | 10 | 0 | 4 | 6.0 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccc(Cl)cc2)c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL370998 | 133030 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 570 | 10 | 0 | 4 | 6.0 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccc(Cl)cc2)c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 52942071 | 18145 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 547 | 8 | 0 | 5 | 4.5 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3cc(F)cc(F)c3)C3CCN(CC(F)F)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| CHEMBL1270798 | 18145 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 547 | 8 | 0 | 5 | 4.5 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3cc(F)cc(F)c3)C3CCN(CC(F)F)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| 5275764 | 75683 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 636 | 10 | 0 | 5 | 5.0 | CN(C)C(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1021/jm051034q | ||
| CHEMBL205706 | 75683 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 636 | 10 | 0 | 5 | 5.0 | CN(C)C(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1021/jm051034q | ||
| 44325489 | 106499 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 474 | 5 | 0 | 2 | 6.6 | O=C(c1cccc2ccccc12)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL315159 | 106499 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 474 | 5 | 0 | 2 | 6.6 | O=C(c1cccc2ccccc12)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| 489825 | 205716 | 2 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 416 | 5 | 0 | 2 | 5.3 | O=C(C1CCCC1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL94179 | 205716 | 2 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 416 | 5 | 0 | 2 | 5.3 | O=C(C1CCCC1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| 72711507 | 92262 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 525 | 9 | 1 | 4 | 5.2 | CCCN1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O | 10.1021/jm401101p | ||
| CHEMBL2435903 | 92262 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 525 | 9 | 1 | 4 | 5.2 | CCCN1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O | 10.1021/jm401101p | ||
| 72711047 | 92251 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 566 | 8 | 1 | 5 | 5.5 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(Cl)c2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435892 | 92251 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 566 | 8 | 1 | 5 | 5.5 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(Cl)c2)CC1 | 10.1021/jm401101p | ||
| 59458103 | 92265 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 537 | 8 | 1 | 4 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435906 | 92265 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 537 | 8 | 1 | 4 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 72713860 | 92272 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 532 | 8 | 1 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435913 | 92272 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 532 | 8 | 1 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 478452 | 85183 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 575 | 14 | 0 | 4 | 5.8 | CCCN(C(=O)CCc1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL2282502 | 85183 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 575 | 14 | 0 | 4 | 5.8 | CCCN(C(=O)CCc1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 478448 | 103662 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 590 | 13 | 0 | 4 | 5.9 | CCCN(C(=O)N(C)Cc1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL309447 | 103662 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 590 | 13 | 0 | 4 | 5.9 | CCCN(C(=O)N(C)Cc1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 44461522 | 203663 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 501 | 11 | 0 | 5 | 4.4 | CCCN(C(=O)OC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL79907 | 203663 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 501 | 11 | 0 | 5 | 4.4 | CCCN(C(=O)OC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 54580081 | 62544 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 533 | 6 | 0 | 5 | 6.2 | Cc1nc2cccnc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm200279v | ||
| CHEMBL1784401 | 62544 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 533 | 6 | 0 | 5 | 6.2 | Cc1nc2cccnc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm200279v | ||
| 25132255 | 102811 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 524 | 6 | 0 | 4 | 6.7 | Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)C2CCCC2)CC1 | 10.1021/jm800598a | ||
| CHEMBL3084494 | 102811 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 524 | 6 | 0 | 4 | 6.7 | Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)C2CCCC2)CC1 | 10.1021/jm800598a | ||
| 68772423 | 171398 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 541 | 7 | 1 | 7 | 3.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
| CHEMBL4470701 | 171398 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 541 | 7 | 1 | 7 | 3.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
| 44392159 | 62587 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 445 | 7 | 1 | 2 | 6.0 | CN(C(=O)Nc1ccc(F)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL178477 | 62587 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 445 | 7 | 1 | 2 | 6.0 | CN(C(=O)Nc1ccc(F)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 11353001 | 58500 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 525 | 3 | 0 | 5 | 4.5 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN(C3CCc4cc(Br)ccc43)[C@@H](C)C2)CC1 | 10.1021/ml1001536 | ||
| CHEMBL1688239 | 58500 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 525 | 3 | 0 | 5 | 4.5 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN(C3CCc4cc(Br)ccc43)[C@@H](C)C2)CC1 | 10.1021/ml1001536 | ||
| 11753754 | 60572 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 604 | 9 | 1 | 5 | 6.9 | Cc1cccnc1OC(c1ccc(Br)cc1)C1CCN(C(C)CCNC(=O)c2c(Cl)cncc2Cl)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762329 | 60572 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 604 | 9 | 1 | 5 | 6.9 | Cc1cccnc1OC(c1ccc(Br)cc1)C1CCN(C(C)CCNC(=O)c2c(Cl)cncc2Cl)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 44392144 | 64878 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 444 | 8 | 0 | 2 | 5.5 | CN(C(=O)Cc1ccccc1F)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL182557 | 64878 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 444 | 8 | 0 | 2 | 5.5 | CN(C(=O)Cc1ccccc1F)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 16728610 | 152169 | 6 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 346 | 5 | 3 | 3 | 2.8 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccccc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL397295 | 152169 | 6 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 346 | 5 | 3 | 3 | 2.8 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccccc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 16728610 | 152169 | 6 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 346 | 5 | 3 | 3 | 2.8 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccccc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL397295 | 152169 | 6 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 346 | 5 | 3 | 3 | 2.8 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccccc1 | 10.1007/s00044-012-0118-7 | ||
| 72714319 | 92248 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 566 | 8 | 1 | 5 | 5.5 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccccc2Cl)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435889 | 92248 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 566 | 8 | 1 | 5 | 5.5 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccccc2Cl)CC1 | 10.1021/jm401101p | ||
| 72712374 | 92233 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 457 | 5 | 1 | 3 | 5.3 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc3nc[nH]c3c2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435874 | 92233 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 457 | 5 | 1 | 3 | 5.3 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc3nc[nH]c3c2)CC1 | 10.1021/jm401101p | ||
| 9869601 | 91346 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 394 | 5 | 3 | 3 | 3.9 | C/C(=N\NC(=N)N)c1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL241097 | 91346 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 394 | 5 | 3 | 3 | 3.9 | C/C(=N\NC(=N)N)c1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| 44565559 | 189176 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cn4cccnc4n3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL516027 | 189176 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cn4cccnc4n3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 54581071 | 62546 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 562 | 8 | 0 | 5 | 6.9 | CCOc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm200279v | ||
| CHEMBL1784403 | 62546 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 562 | 8 | 0 | 5 | 6.9 | CCOc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm200279v | ||
| 23294208 | 96700 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 590 | 8 | 1 | 4 | 6.8 | O=C1CCC(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 | 10.1021/jm800598a | ||
| CHEMBL26790 | 96700 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 590 | 8 | 1 | 4 | 6.8 | O=C1CCC(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 | 10.1021/jm800598a | ||
| 25131900 | 102805 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 610 | 6 | 0 | 5 | 8.6 | Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CCCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 | 10.1021/jm800598a | ||
| CHEMBL3084488 | 102805 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 610 | 6 | 0 | 5 | 8.6 | Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CCCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 | 10.1021/jm800598a | ||
| 16728614 | 91138 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 5 | 3 | 4 | 2.7 | N#Cc1cccc(COc2ccc(Br)cc2/C=N/NC(=N)N)c1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL240637 | 91138 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 5 | 3 | 4 | 2.7 | N#Cc1cccc(COc2ccc(Br)cc2/C=N/NC(=N)N)c1 | 10.1007/s00044-012-0118-7 | ||
| 16728649 | 168435 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 420 | 5 | 2 | 5 | 4.0 | Clc1ccc(COc2ccc(Br)cc2/C=N/NC2=NCCCN2)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL439223 | 168435 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 420 | 5 | 2 | 5 | 4.0 | Clc1ccc(COc2ccc(Br)cc2/C=N/NC2=NCCCN2)cc1 | 10.1007/s00044-012-0118-7 | ||
| 5481726 | 204047 | 1 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 564 | 9 | 0 | 3 | 7.0 | CN(C[C@@H](CCN1CCC(c2cccc(C(F)(F)F)c2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL82838 | 204047 | 1 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 564 | 9 | 0 | 3 | 7.0 | CN(C[C@@H](CCN1CCC(c2cccc(C(F)(F)F)c2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| 489308 | 5217 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 587 | 13 | 0 | 5 | 7.3 | CN(CC(CCN1CCC(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccc(-c2ccccn2)s1 | 10.1016/s0960-894x(01)00652-7 | ||
| CHEMBL106569 | 5217 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 587 | 13 | 0 | 5 | 7.3 | CN(CC(CCN1CCC(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccc(-c2ccccn2)s1 | 10.1016/s0960-894x(01)00652-7 | ||
| 42623163 | 178294 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 437 | 8 | 1 | 5 | 4.8 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL469724 | 178294 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 437 | 8 | 1 | 5 | 4.8 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 489338 | 5104 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 655 | 12 | 2 | 5 | 6.6 | CCN(C(=O)OCc1ccccc1)C1CCN(CCC(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2cccc(Cl)c2)CC1 | 10.1016/s0960-894x(01)00654-0 | ||
| CHEMBL105975 | 5104 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 655 | 12 | 2 | 5 | 6.6 | CCN(C(=O)OCc1ccccc1)C1CCN(CCC(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2cccc(Cl)c2)CC1 | 10.1016/s0960-894x(01)00654-0 | ||
| 496975 | 108058 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 546 | 12 | 2 | 4 | 6.1 | O=C(O)CCc1ccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00605-4 | ||
| CHEMBL320149 | 108058 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 546 | 12 | 2 | 4 | 6.1 | O=C(O)CCc1ccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00605-4 | ||
| 25256856 | 192682 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 510 | 5 | 0 | 6 | 5.4 | CO/C(=N/C#N)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL524001 | 192682 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 510 | 5 | 0 | 6 | 5.4 | CO/C(=N/C#N)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 11503459 | 83109 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 456 | 7 | 1 | 4 | 5.6 | Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 | 10.1111/j.1747-0285.2006.00376.x | ||
| CHEMBL2203615 | 83109 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 456 | 7 | 1 | 4 | 5.6 | Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 | 10.1111/j.1747-0285.2006.00376.x | ||
| 501052 | 106951 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 478 | 10 | 2 | 4 | 4.7 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL318210 | 106951 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 478 | 10 | 2 | 4 | 4.7 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3010263 | 188635 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 557 | 9 | 1 | 5 | 6.7 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3ncc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL511494 | 188635 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 557 | 9 | 1 | 5 | 6.7 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3ncc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44447731 | 94656 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 482 | 5 | 0 | 4 | 6.0 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccncc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL255430 | 94656 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 482 | 5 | 0 | 4 | 6.0 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccncc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 3008902 | 200993 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 512 | 6 | 0 | 4 | 5.1 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL61536 | 200993 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 512 | 6 | 0 | 4 | 5.1 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 183790 | 3685 | 8 | None | 3 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
| 783 | 3685 | 8 | None | 3 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
| CHEMBL1178786 | 3685 | 8 | None | 3 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
| 501052 | 106951 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 478 | 10 | 2 | 4 | 4.7 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| CHEMBL318210 | 106951 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 478 | 10 | 2 | 4 | 4.7 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| 483382 | 79145 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 575 | 13 | 0 | 5 | 5.8 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL2114184 | 79145 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 575 | 13 | 0 | 5 | 5.8 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 44461684 | 104420 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 604 | 14 | 0 | 6 | 5.1 | C=CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL311248 | 104420 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 604 | 14 | 0 | 6 | 5.1 | C=CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 21147749 | 104817 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 654 | 14 | 0 | 7 | 6.3 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL311549 | 104817 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 654 | 14 | 0 | 7 | 6.3 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 486606 | 203632 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 620 | 14 | 1 | 6 | 5.1 | CCCN(C(=O)OCc1ccc(C(N)=O)cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL79622 | 203632 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 620 | 14 | 1 | 6 | 5.1 | CCCN(C(=O)OCc1ccc(C(N)=O)cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 486601 | 203854 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 597 | 12 | 0 | 5 | 6.3 | CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL81252 | 203854 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 597 | 12 | 0 | 5 | 6.3 | CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 44461707 | 203951 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 577 | 13 | 0 | 5 | 6.0 | CCCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL82048 | 203951 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 577 | 13 | 0 | 5 | 6.0 | CCCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 11467704 | 204108 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 620 | 14 | 0 | 7 | 5.7 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL83335 | 204108 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 620 | 14 | 0 | 7 | 5.7 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 5275829 | 204309 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 563 | 12 | 0 | 5 | 5.6 | CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL85086 | 204309 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 563 | 12 | 0 | 5 | 5.6 | CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 44415800 | 80111 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 456 | 7 | 1 | 4 | 5.6 | Cc1nc2ccccc2n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 | 10.1016/j.bmcl.2006.06.012 | ||
| CHEMBL214818 | 80111 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 456 | 7 | 1 | 4 | 5.6 | Cc1nc2ccccc2n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 | 10.1016/j.bmcl.2006.06.012 | ||
| 3010263 | 188635 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 557 | 9 | 1 | 5 | 6.7 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3ncc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL511494 | 188635 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 557 | 9 | 1 | 5 | 6.7 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3ncc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| 6320582 | 62931 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 541 | 8 | 0 | 5 | 5.0 | CN(CC(C)(CCN1CCC2C(CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2004.12.044 | ||
| CHEMBL179141 | 62931 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 541 | 8 | 0 | 5 | 5.0 | CN(CC(C)(CCN1CCC2C(CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2004.12.044 | ||
| 6320585 | 62943 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 620 | 11 | 0 | 7 | 5.3 | CN(CC(C)(CCN1CCC2C(CCN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2004.12.044 | ||
| CHEMBL179209 | 62943 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 620 | 11 | 0 | 7 | 5.3 | CN(CC(C)(CCN1CCC2C(CCN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2004.12.044 | ||
| 5275829 | 204309 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 563 | 12 | 0 | 5 | 5.6 | CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.12.044 | ||
| CHEMBL85086 | 204309 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 563 | 12 | 0 | 5 | 5.6 | CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.12.044 | ||
| 516182 | 59312 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 614 | 10 | 1 | 5 | 6.7 | CCn1nc(Cc2ccc(C(F)(F)F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL172019 | 59312 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 614 | 10 | 1 | 5 | 6.7 | CCn1nc(Cc2ccc(C(F)(F)F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516277 | 130861 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 632 | 10 | 1 | 6 | 7.2 | CCn1nc(Cc2ccc(OC(C)(C)C)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL368979 | 130861 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 632 | 10 | 1 | 6 | 7.2 | CCn1nc(Cc2ccc(OC(C)(C)C)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516172 | 119879 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.005 | ||
| CHEMBL353331 | 119879 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.005 | ||
| 490017 | 167279 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 517 | 8 | 0 | 4 | 5.5 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL430867 | 167279 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 517 | 8 | 0 | 4 | 5.5 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| 490014 | 205657 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 559 | 8 | 0 | 4 | 6.3 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL93851 | 205657 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 559 | 8 | 0 | 4 | 6.3 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2CN(C(=O)c3ccccc3Cl)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| 516354 | 187653 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 576 | 9 | 2 | 4 | 6.5 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(C(F)(F)c4ccccc4)n[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL499483 | 187653 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 576 | 9 | 2 | 4 | 6.5 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(C(F)(F)c4ccccc4)n[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 516354 | 187653 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 576 | 9 | 2 | 4 | 6.5 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(C(F)(F)c4ccccc4)n[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL499483 | 187653 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 576 | 9 | 2 | 4 | 6.5 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(C(F)(F)c4ccccc4)n[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44383787 | 58991 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 576 | 9 | 2 | 4 | 6.5 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3n[nH]cc3C(F)(F)c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL170543 | 58991 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 576 | 9 | 2 | 4 | 6.5 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3n[nH]cc3C(F)(F)c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2003.12.004 | ||
| 516206 | 59421 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 696 | 11 | 1 | 5 | 8.1 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL172436 | 59421 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 696 | 11 | 1 | 5 | 8.1 | CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516172 | 119879 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL353331 | 119879 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| 516325 | 59480 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 540 | 9 | 2 | 4 | 5.9 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL172659 | 59480 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 540 | 9 | 2 | 4 | 5.9 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 516325 | 59480 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 540 | 9 | 2 | 4 | 5.9 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL172659 | 59480 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 540 | 9 | 2 | 4 | 5.9 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 11636141 | 103069 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 683 | 17 | 1 | 8 | 7.9 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4nncn4CCC)cc2)CCCN3CCC)cc1 | 10.1021/jm0509703 | ||
| CHEMBL3085310 | 103069 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 683 | 17 | 1 | 8 | 7.9 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4nncn4CCC)cc2)CCCN3CCC)cc1 | 10.1021/jm0509703 | ||
| 3008928 | 200970 | 1 | None | - | 0 | Crab-eating macaque | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 483 | 5 | 0 | 5 | 5.4 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL61424 | 200970 | 1 | None | - | 0 | Crab-eating macaque | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 483 | 5 | 0 | 5 | 5.4 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 3013701 | 76741 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 643 | 10 | 0 | 6 | 4.7 | CS(=O)(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1021/jm051034q | ||
| CHEMBL207487 | 76741 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 643 | 10 | 0 | 6 | 4.7 | CS(=O)(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1021/jm051034q | ||
| 516353 | 129658 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 600 | 11 | 1 | 5 | 6.8 | CCn1nc(CCc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL367838 | 129658 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 600 | 11 | 1 | 5 | 6.8 | CCn1nc(CCc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| 516325 | 59480 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 540 | 9 | 2 | 4 | 5.9 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL172659 | 59480 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 540 | 9 | 2 | 4 | 5.9 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2003.12.004 | ||
| 516177 | 129263 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 564 | 10 | 1 | 5 | 5.8 | CCn1nc(Cc2ccccc2F)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL367529 | 129263 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 564 | 10 | 1 | 5 | 5.8 | CCn1nc(Cc2ccccc2F)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 474170 | 11174 | 2 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 564 | 7 | 1 | 3 | 7.5 | C[N+](C)(Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(N5CCCCC5)cc4)ccc3CCC2)cc1)C1CCOCC1 | 10.1021/jm9906264 | ||
| CHEMBL1179149 | 11174 | 2 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 564 | 7 | 1 | 3 | 7.5 | C[N+](C)(Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(N5CCCCC5)cc4)ccc3CCC2)cc1)C1CCOCC1 | 10.1021/jm9906264 | ||
| CHEMBL62339 | 11174 | 2 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 564 | 7 | 1 | 3 | 7.5 | C[N+](C)(Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(N5CCCCC5)cc4)ccc3CCC2)cc1)C1CCOCC1 | 10.1021/jm9906264 | ||
| 44404705 | 71707 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 586 | 10 | 0 | 4 | 6.2 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL197641 | 71707 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 586 | 10 | 0 | 4 | 6.2 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 516339 | 127948 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 582 | 11 | 1 | 5 | 6.6 | CCn1cc(CCc2ccccc2)c(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL366626 | 127948 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 582 | 11 | 1 | 5 | 6.6 | CCn1cc(CCc2ccccc2)c(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3008927 | 197180 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 482 | 5 | 0 | 4 | 6.0 | Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL58387 | 197180 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 482 | 5 | 0 | 4 | 6.0 | Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 516339 | 127948 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 582 | 11 | 1 | 5 | 6.6 | CCn1cc(CCc2ccccc2)c(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL366626 | 127948 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 582 | 11 | 1 | 5 | 6.6 | CCn1cc(CCc2ccccc2)c(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 | 10.1016/j.bmcl.2003.12.004 | ||
| 516263 | 61040 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 696 | 9 | 1 | 5 | 8.1 | CCn1nc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL176859 | 61040 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 696 | 9 | 1 | 5 | 8.1 | CCn1nc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516303 | 61358 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 664 | 11 | 1 | 7 | 6.0 | CCn1nc(Cc2ccc(S(C)(=O)=O)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL177157 | 61358 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 664 | 11 | 1 | 7 | 6.0 | CCn1nc(Cc2ccc(S(C)(=O)=O)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516174 | 130931 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 552 | 10 | 1 | 5 | 6.2 | CCn1nc(CC2CCCCC2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL369151 | 130931 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 552 | 10 | 1 | 5 | 6.2 | CCn1nc(CC2CCCCC2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516339 | 127948 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 582 | 11 | 1 | 5 | 6.6 | CCn1cc(CCc2ccccc2)c(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL366626 | 127948 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 582 | 11 | 1 | 5 | 6.6 | CCn1cc(CCc2ccccc2)c(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44590683 | 175009 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 543 | 10 | 1 | 3 | 6.3 | CCN(C(=O)Cc1ccc(Cl)cc1Cl)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL457960 | 175009 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 543 | 10 | 1 | 3 | 6.3 | CCN(C(=O)Cc1ccc(Cl)cc1Cl)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 68764898 | 665 | 1 | None | - | 3 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
| 9430 | 665 | 1 | None | - | 3 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
| CHEMBL3577945 | 665 | 1 | None | - | 3 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
| 3011734 | 70714 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 617 | 12 | 0 | 6 | 4.2 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)C2CCN(S(=O)(=O)CC)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951907 | 70714 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 617 | 12 | 0 | 6 | 4.2 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)C2CCN(S(=O)(=O)CC)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 11650548 | 103067 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 697 | 17 | 1 | 8 | 8.1 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4nncn4CCC)cc2)CCCN3CC(C)C)cc1 | 10.1021/jm0509703 | ||
| CHEMBL3085308 | 103067 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 697 | 17 | 1 | 8 | 8.1 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4nncn4CCC)cc2)CCCN3CC(C)C)cc1 | 10.1021/jm0509703 | ||
| 68764898 | 665 | 1 | None | - | 3 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
| 9430 | 665 | 1 | None | - | 3 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
| CHEMBL3577945 | 665 | 1 | None | - | 3 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
| 486601 | 203854 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 597 | 12 | 0 | 5 | 6.3 | CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL81252 | 203854 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 597 | 12 | 0 | 5 | 6.3 | CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| 10008665 | 167923 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 596 | 10 | 0 | 7 | 6.3 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN3O[C@H](c4ccccc4)C[C@H]3[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00835-6 | ||
| CHEMBL435259 | 167923 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 596 | 10 | 0 | 7 | 6.3 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN3O[C@H](c4ccccc4)C[C@H]3[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00835-6 | ||
| 20664156 | 124095 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 500 | 7 | 1 | 5 | 5.4 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL364070 | 124095 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 500 | 7 | 1 | 5 | 5.4 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 20664156 | 124095 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 500 | 7 | 1 | 5 | 5.4 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL364070 | 124095 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 500 | 7 | 1 | 5 | 5.4 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 72711047 | 92251 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 566 | 8 | 1 | 5 | 5.5 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(Cl)c2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435892 | 92251 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 566 | 8 | 1 | 5 | 5.5 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(Cl)c2)CC1 | 10.1021/jm401101p | ||
| 478445 | 203620 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 576 | 13 | 1 | 4 | 5.6 | CCCN(C(=O)NCc1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL79530 | 203620 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 576 | 13 | 1 | 4 | 5.6 | CCCN(C(=O)NCc1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 3500 | 1498 | 9 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 483 | 7 | 1 | 5 | 3.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C21CCN(CC2)Cc1ccc2c(c1)OCCO2 | 10.1021/jm060051s | ||
| 491774 | 1498 | 9 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 483 | 7 | 1 | 5 | 3.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C21CCN(CC2)Cc1ccc2c(c1)OCCO2 | 10.1021/jm060051s | ||
| CHEMBL1196395 | 1498 | 9 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 483 | 7 | 1 | 5 | 3.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C21CCN(CC2)Cc1ccc2c(c1)OCCO2 | 10.1021/jm060051s | ||
| 478440 | 103784 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 534 | 11 | 2 | 4 | 4.4 | CN(CC(CCN1CCC(NC(=O)NCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL309922 | 103784 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 534 | 11 | 2 | 4 | 4.4 | CN(CC(CCN1CCC(NC(=O)NCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL3109173 | 209341 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | Cc1nnc(CCCCCCCCCCn2cc(COCCOCCOCCOCCOCc3ccc(C(=O)N4CCC4=O)cc3)nn2)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 | 10.1021/ml400370w | ||||
| 44401686 | 69691 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 528 | 9 | 1 | 5 | 5.9 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCn3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL193972 | 69691 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 528 | 9 | 1 | 5 | 5.9 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCn3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 3008917 | 201096 | 4 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 481 | 5 | 0 | 3 | 6.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL62152 | 201096 | 4 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 481 | 5 | 0 | 3 | 6.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 516254 | 128158 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 620 | 13 | 1 | 7 | 6.0 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC)c(OC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL366871 | 128158 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 620 | 13 | 1 | 7 | 6.0 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC)c(OC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516179 | 130163 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 582 | 10 | 1 | 5 | 5.9 | CCn1nc(Cc2cc(F)cc(F)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL368333 | 130163 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 582 | 10 | 1 | 5 | 5.9 | CCn1nc(Cc2cc(F)cc(F)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 516241 | 78502 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 589 | 12 | 2 | 6 | 5.5 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4cccc(CN)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL2112951 | 78502 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 589 | 12 | 2 | 6 | 5.5 | CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4cccc(CN)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.006 | ||
| 20664163 | 168084 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 501 | 7 | 1 | 6 | 4.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3cnc4cccnc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL436290 | 168084 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 501 | 7 | 1 | 6 | 4.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3cnc4cccnc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 20664163 | 168084 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 501 | 7 | 1 | 6 | 4.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3cnc4cccnc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL436290 | 168084 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 501 | 7 | 1 | 6 | 4.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3cnc4cccnc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 20664163 | 168084 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 501 | 7 | 1 | 6 | 4.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3cnc4cccnc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL436290 | 168084 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 501 | 7 | 1 | 6 | 4.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3cnc4cccnc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3008904 | 198283 | 1 | None | - | 0 | Crab-eating macaque | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 537 | 6 | 0 | 5 | 5.0 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3cccc(C#N)c3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL59511 | 198283 | 1 | None | - | 0 | Crab-eating macaque | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 537 | 6 | 0 | 5 | 5.0 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3cccc(C#N)c3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 11570778 | 140388 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 608 | 10 | 1 | 5 | 4.4 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3cccc(C(N)=O)c3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL382252 | 140388 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 608 | 10 | 1 | 5 | 4.4 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3cccc(C(N)=O)c3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 516364 | 59452 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 528 | 10 | 1 | 5 | 5.5 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.005 | ||
| CHEMBL172551 | 59452 | 1 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 528 | 10 | 1 | 5 | 5.5 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.005 | ||
| 16663418 | 10712 | 15 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 590 | 10 | 1 | 7 | 4.7 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.ejmech.2018.01.085 | ||
| CHEMBL1172035 | 10712 | 15 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 590 | 10 | 1 | 7 | 4.7 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 | 10.1016/j.ejmech.2018.01.085 | ||
| 3008930 | 197003 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL58004 | 197003 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1nc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 11585418 | 75658 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 597 | 8 | 0 | 5 | 5.1 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL205539 | 75658 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 597 | 8 | 0 | 5 | 5.1 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 516363 | 59074 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 542 | 11 | 1 | 5 | 5.9 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@H](CC(C)C)C(=O)O)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.005 | ||
| CHEMBL170892 | 59074 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 542 | 11 | 1 | 5 | 5.9 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@H](CC(C)C)C(=O)O)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.005 | ||
| 501053 | 4523 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 9 | 2 | 4 | 4.0 | C[C@H](C(=O)O)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL102675 | 4523 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 9 | 2 | 4 | 4.0 | C[C@H](C(=O)O)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 501059 | 107033 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 460 | 10 | 1 | 3 | 5.3 | O=C(O)[C@@H](C1CC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL318681 | 107033 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 460 | 10 | 1 | 3 | 5.3 | O=C(O)[C@@H](C1CC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 496971 | 107077 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 5.8 | O=C(O)c1cccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL318909 | 107077 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 5.8 | O=C(O)c1cccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1 | 10.1016/j.ejmech.2008.01.040 | ||
| 516328 | 127592 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 596 | 12 | 1 | 5 | 7.2 | CCCCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL366536 | 127592 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 596 | 12 | 1 | 5 | 7.2 | CCCCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 516332 | 130151 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1ncc(Cc2ccccc2)c1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL368265 | 130151 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1ncc(Cc2ccccc2)c1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44565791 | 180168 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4cccnn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL475606 | 180168 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4cccnn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44336415 | 167436 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 524 | 9 | 1 | 5 | 5.0 | O=S(=O)(c1cccs1)N1CC(CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00652-7 | ||
| CHEMBL432010 | 167436 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 524 | 9 | 1 | 5 | 5.0 | O=S(=O)(c1cccs1)N1CC(CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00652-7 | ||
| 46890342 | 7036 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 588 | 6 | 1 | 6 | 4.6 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C[C@H]4CC[C@H](O)CC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| CHEMBL1085224 | 7036 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 588 | 6 | 1 | 6 | 4.6 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C[C@H]4CC[C@H](O)CC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| 25205766 | 7040 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 574 | 6 | 0 | 6 | 4.5 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CC4CCOCC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| CHEMBL1085229 | 7040 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 574 | 6 | 0 | 6 | 4.5 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CC4CCOCC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| 46888581 | 8622 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 511 | 8 | 1 | 5 | 3.8 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1095815 | 8622 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 511 | 8 | 1 | 5 | 3.8 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 16073667 | 96375 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 632 | 11 | 0 | 6 | 4.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(F)c2F)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| CHEMBL265131 | 96375 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 632 | 11 | 0 | 6 | 4.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(F)c2F)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| 16073665 | 138053 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 664 | 11 | 0 | 6 | 5.6 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| CHEMBL377551 | 138053 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 664 | 11 | 0 | 6 | 5.6 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| 15958353 | 83108 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 430 | 7 | 1 | 4 | 5.0 | Cc1nc2ccccc2n1C1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1111/j.1747-0285.2006.00376.x | ||
| CHEMBL2203614 | 83108 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 430 | 7 | 1 | 4 | 5.0 | Cc1nc2ccccc2n1C1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1111/j.1747-0285.2006.00376.x | ||
| 516338 | 59092 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1cc(Cc2ccccc2)c(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL170987 | 59092 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1cc(Cc2ccccc2)c(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44455144 | 97462 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 486 | 8 | 1 | 5 | 6.0 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| CHEMBL272490 | 97462 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 486 | 8 | 1 | 5 | 6.0 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| 52918140 | 60581 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 614 | 9 | 1 | 5 | 7.5 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2cccc(Cl)n2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762338 | 60581 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 614 | 9 | 1 | 5 | 7.5 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2cccc(Cl)n2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 478448 | 103662 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 590 | 13 | 0 | 4 | 5.9 | CCCN(C(=O)N(C)Cc1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL309447 | 103662 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 590 | 13 | 0 | 4 | 5.9 | CCCN(C(=O)N(C)Cc1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 44461522 | 203663 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 501 | 11 | 0 | 5 | 4.4 | CCCN(C(=O)OC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL79907 | 203663 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 501 | 11 | 0 | 5 | 4.4 | CCCN(C(=O)OC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 44461835 | 204041 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 575 | 14 | 0 | 4 | 5.8 | CCCN(C(=O)CCc1ccccc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL82786 | 204041 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 575 | 14 | 0 | 4 | 5.8 | CCCN(C(=O)CCc1ccccc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 44415740 | 79772 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 458 | 9 | 1 | 5 | 4.9 | O=C(N[C@@H](CCN1CCC(c2noc(Cc3ccccc3)n2)CC1)c1ccccc1)C1CCC1 | 10.1016/j.bmcl.2006.06.012 | ||
| CHEMBL213541 | 79772 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 458 | 9 | 1 | 5 | 4.9 | O=C(N[C@@H](CCN1CCC(c2noc(Cc3ccccc3)n2)CC1)c1ccccc1)C1CCC1 | 10.1016/j.bmcl.2006.06.012 | ||
| 11693007 | 75908 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 548 | 8 | 1 | 4 | 5.7 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(Nc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL205851 | 75908 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 548 | 8 | 1 | 4 | 5.7 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(Nc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 10277467 | 12973 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 443 | 7 | 1 | 5 | 3.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2 | 10.1021/jm060051s | ||
| CHEMBL1190217 | 12973 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 443 | 7 | 1 | 5 | 3.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2 | 10.1021/jm060051s | ||
| CHEMBL540366 | 12973 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 443 | 7 | 1 | 5 | 3.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2 | 10.1021/jm060051s | ||
| 516338 | 59092 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1cc(Cc2ccccc2)c(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL170987 | 59092 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1cc(Cc2ccccc2)c(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 | 10.1016/j.bmcl.2003.12.004 | ||
| 489324 | 107749 | 1 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 555 | 8 | 1 | 4 | 5.6 | O=C1CC2(CCN(CCC(CN3C(=O)N[C@H](Cc4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21 | 10.1016/s0960-894x(01)00654-0 | ||
| CHEMBL319697 | 107749 | 1 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 555 | 8 | 1 | 4 | 5.6 | O=C1CC2(CCN(CCC(CN3C(=O)N[C@H](Cc4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21 | 10.1016/s0960-894x(01)00654-0 | ||
| 44404638 | 132221 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 533 | 10 | 1 | 5 | 4.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(N)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL369947 | 132221 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 533 | 10 | 1 | 5 | 4.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(N)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 44404730 | 140361 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 605 | 12 | 1 | 6 | 6.3 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(NOC(C)(C)C)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL382079 | 140361 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 605 | 12 | 1 | 6 | 6.3 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(NOC(C)(C)C)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 44401608 | 123805 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 487 | 8 | 1 | 6 | 4.3 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cn4cccnc4n3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL363564 | 123805 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 487 | 8 | 1 | 6 | 4.3 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cn4cccnc4n3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 9869601 | 91346 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 394 | 5 | 3 | 3 | 3.9 | C/C(=N\NC(=N)N)c1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL241097 | 91346 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 394 | 5 | 3 | 3 | 3.9 | C/C(=N\NC(=N)N)c1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 44565559 | 189176 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cn4cccnc4n3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL516027 | 189176 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cn4cccnc4n3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 478409 | 204188 | 1 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 530 | 9 | 0 | 3 | 6.7 | CN(C[C@@H](CCN1CCC(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| CHEMBL83963 | 204188 | 1 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 530 | 9 | 0 | 3 | 6.7 | CN(C[C@@H](CCN1CCC(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| 5481866 | 111115 | 1 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 566 | 8 | 0 | 6 | 4.4 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL328339 | 111115 | 1 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 566 | 8 | 0 | 6 | 4.4 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 479865 | 205382 | 2 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 476 | 9 | 0 | 3 | 5.7 | Cc1ccc(C(CCN2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)cc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL92094 | 205382 | 2 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 476 | 9 | 0 | 3 | 5.7 | Cc1ccc(C(CCN2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)cc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 457679 | 168749 | 1 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 424 | 7 | 0 | 2 | 5.8 | c1ccc(CCN2C[C@H](CN3CCC(c4ccccc4)CC3)[C@@H](c3ccccc3)C2)cc1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL441635 | 168749 | 1 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 424 | 7 | 0 | 2 | 5.8 | c1ccc(CCN2C[C@H](CN3CCC(c4ccccc4)CC3)[C@@H](c3ccccc3)C2)cc1 | 10.1016/s0960-894x(01)00545-5 | ||
| 16728614 | 91138 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 5 | 3 | 4 | 2.7 | N#Cc1cccc(COc2ccc(Br)cc2/C=N/NC(=N)N)c1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL240637 | 91138 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 371 | 5 | 3 | 4 | 2.7 | N#Cc1cccc(COc2ccc(Br)cc2/C=N/NC(=N)N)c1 | 10.1016/j.bmcl.2006.09.052 | ||
| 16728649 | 168435 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 420 | 5 | 2 | 5 | 4.0 | Clc1ccc(COc2ccc(Br)cc2/C=N/NC2=NCCCN2)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL439223 | 168435 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 420 | 5 | 2 | 5 | 4.0 | Clc1ccc(COc2ccc(Br)cc2/C=N/NC2=NCCCN2)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 479837 | 205007 | 1 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 5.3 | CN(CC(CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccccc1Cl)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL89929 | 205007 | 1 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 5.3 | CN(CC(CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccccc1Cl)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 10445499 | 178310 | 1 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 264 | 0 | 2 | 5 | 2.4 | CC1OC(=O)c2c3c(c(O)c(O)c21)OC(C)(C)CC3 | 10.1021/np049974l | ||
| CHEMBL469856 | 178310 | 1 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 264 | 0 | 2 | 5 | 2.4 | CC1OC(=O)c2c3c(c(O)c(O)c21)OC(C)(C)CC3 | 10.1021/np049974l | ||
| 53326702 | 58160 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.2 | COC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683071 | 58160 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.2 | COC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 53326701 | 58157 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683068 | 58157 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 72712160 | 92228 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 495 | 6 | 0 | 4 | 5.9 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3ncccn3)cc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435869 | 92228 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 495 | 6 | 0 | 4 | 5.9 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3ncccn3)cc2)CC1 | 10.1021/jm401101p | ||
| 10416552 | 187865 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 628 | 8 | 1 | 6 | 4.7 | O=C1NCN(c2ccccc2)C12CCN(CCOC1(c3ccc(Cl)c(Cl)c3)CCN(S(=O)(=O)c3ccccc3)C1)CC2 | 10.1021/jm800598a | ||
| CHEMBL502593 | 187865 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 628 | 8 | 1 | 6 | 4.7 | O=C1NCN(c2ccccc2)C12CCN(CCOC1(c3ccc(Cl)c(Cl)c3)CCN(S(=O)(=O)c3ccccc3)C1)CC2 | 10.1021/jm800598a | ||
| 53324141 | 58159 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.3 | CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683070 | 58159 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.3 | CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 76312665 | 85159 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 520 | 7 | 1 | 4 | 5.7 | CC1CCN(CC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL2281956 | 85159 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 520 | 7 | 1 | 4 | 5.7 | CC1CCN(CC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1 | 10.1007/s00044-012-0118-7 | ||
| 25206070 | 7041 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 584 | 5 | 0 | 6 | 4.7 | Cc1cc(C#N)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C4CCOCC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| CHEMBL1085231 | 7041 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 584 | 5 | 0 | 6 | 4.7 | Cc1cc(C#N)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C4CCOCC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| 44356876 | 27833 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 554 | 8 | 0 | 4 | 6.4 | C=CCN(c1ccc(C(F)(F)F)cn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL137272 | 27833 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 554 | 8 | 0 | 4 | 6.4 | C=CCN(c1ccc(C(F)(F)F)cn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 16073663 | 77444 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 632 | 11 | 0 | 6 | 4.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2ccc(F)c(F)c2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| CHEMBL209251 | 77444 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 632 | 11 | 0 | 6 | 4.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2ccc(F)c(F)c2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| 44573297 | 186644 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 499 | 5 | 0 | 4 | 5.6 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)N(C)C)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL492544 | 186644 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 499 | 5 | 0 | 4 | 5.6 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)N(C)C)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 6320585 | 62943 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 620 | 11 | 0 | 7 | 5.3 | CN(CC(C)(CCN1CCC2C(CCN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2004.12.044 | ||
| CHEMBL179209 | 62943 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 620 | 11 | 0 | 7 | 5.3 | CN(CC(C)(CCN1CCC2C(CCN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2004.12.044 | ||
| 44590945 | 175828 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 396 | 7 | 1 | 5 | 4.0 | Cc1noc(C2CCN(C(C)C[C@H](NC(=O)C3CCC3)c3ccccc3)CC2)n1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL459599 | 175828 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 396 | 7 | 1 | 5 | 4.0 | Cc1noc(C2CCN(C(C)C[C@H](NC(=O)C3CCC3)c3ccccc3)CC2)n1 | 10.1016/j.bmcl.2009.01.009 | ||
| 11656080 | 83113 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 488 | 7 | 1 | 5 | 5.5 | Cc1nc2ccccc2n1[C@@H]1C[C@H]2CSC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 | 10.1111/j.1747-0285.2006.00376.x | ||
| CHEMBL2203620 | 83113 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 488 | 7 | 1 | 5 | 5.5 | Cc1nc2ccccc2n1[C@@H]1C[C@H]2CSC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 | 10.1111/j.1747-0285.2006.00376.x | ||
| 516344 | 127300 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 554 | 9 | 1 | 5 | 6.5 | CCn1nc(-c2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL366450 | 127300 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 554 | 9 | 1 | 5 | 6.5 | CCn1nc(-c2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44431967 | 145514 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 521 | 7 | 1 | 5 | 4.3 | CN1CCN(CC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL391886 | 145514 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 521 | 7 | 1 | 5 | 4.3 | CN1CCN(CC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| 44392131 | 65491 | 3 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 453 | 9 | 1 | 2 | 6.4 | C=CCN(C(=O)Nc1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL183492 | 65491 | 3 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 453 | 9 | 1 | 2 | 6.4 | C=CCN(C(=O)Nc1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 54682467 | 188694 | 24 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 276 | 0 | 1 | 5 | 2.1 | CC1OC(=O)C=C2C3=C(OC(C)(C)CC3)C(=O)C(O)=C21 | 10.1021/np030146m | ||
| CHEMBL512035 | 188694 | 24 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 276 | 0 | 1 | 5 | 2.1 | CC1OC(=O)C=C2C3=C(OC(C)(C)CC3)C(=O)C(O)=C21 | 10.1021/np030146m | ||
| 53325088 | 58503 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 531 | 3 | 1 | 6 | 3.8 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H]3c4ccc(C(F)(F)F)cc4C[C@H]3O)[C@@H](C)C2)CC1 | 10.1021/ml1001536 | ||
| CHEMBL1688241 | 58503 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 531 | 3 | 1 | 6 | 3.8 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H]3c4ccc(C(F)(F)F)cc4C[C@H]3O)[C@@H](C)C2)CC1 | 10.1021/ml1001536 | ||
| 53389902 | 171932 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.8 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)c(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4483373 | 171932 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.8 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)c(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 54583459 | 60557 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 566 | 9 | 1 | 5 | 6.0 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(CCNC(=O)c3c(Cl)cncc3Cl)CC2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762308 | 60557 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 566 | 9 | 1 | 5 | 6.0 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(CCNC(=O)c3c(Cl)cncc3Cl)CC2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 72712161 | 92229 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 494 | 6 | 0 | 3 | 6.5 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3cccnc3)cc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435870 | 92229 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 494 | 6 | 0 | 3 | 6.5 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3cccnc3)cc2)CC1 | 10.1021/jm401101p | ||
| 25230770 | 188186 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 577 | 6 | 0 | 6 | 5.1 | CCCCC1CN(C(=O)C2CCOCC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)cc(C#N)nc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| CHEMBL505595 | 188186 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 577 | 6 | 0 | 6 | 5.1 | CCCCC1CN(C(=O)C2CCOCC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)cc(C#N)nc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| 52949128 | 17959 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 607 | 7 | 0 | 6 | 4.3 | Cc1cccc(Cl)c1S(=O)(=O)C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| CHEMBL1269386 | 17959 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 607 | 7 | 0 | 6 | 4.3 | Cc1cccc(Cl)c1S(=O)(=O)C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| 25230898 | 173429 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 589 | 7 | 0 | 7 | 4.2 | CCCCC1CN(S(=O)(=O)C2CCOCC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| CHEMBL454253 | 173429 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 589 | 7 | 0 | 7 | 4.2 | CCCCC1CN(S(=O)(=O)C2CCOCC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| 25230827 | 183427 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 545 | 7 | 0 | 6 | 4.2 | CCCCC1CN(S(=O)(=O)C2CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| CHEMBL481980 | 183427 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 545 | 7 | 0 | 6 | 4.2 | CCCCC1CN(S(=O)(=O)C2CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| 44404642 | 132906 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 617 | 11 | 1 | 5 | 6.2 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL370552 | 132906 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 617 | 11 | 1 | 5 | 6.2 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 72714321 | 92250 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 610 | 8 | 1 | 5 | 5.6 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(Br)c2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435891 | 92250 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 610 | 8 | 1 | 5 | 5.6 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(Br)c2)CC1 | 10.1021/jm401101p | ||
| 516344 | 127300 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 554 | 9 | 1 | 5 | 6.5 | CCn1nc(-c2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL366450 | 127300 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 554 | 9 | 1 | 5 | 6.5 | CCn1nc(-c2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 46883028 | 5737 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 495 | 5 | 0 | 6 | 4.3 | CCCC[C@H]1CN(C)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)cc(C#N)nc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| CHEMBL1078937 | 5737 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 495 | 5 | 0 | 6 | 4.3 | CCCC[C@H]1CN(C)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)cc(C#N)nc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| 68767078 | 120723 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 5.0 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(Cl)cc23)C1=O | 10.1021/ml500505q | ||
| CHEMBL3577944 | 120723 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 5.0 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(Cl)cc23)C1=O | 10.1021/ml500505q | ||
| 57656833 | 74879 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036782 | 74879 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 516344 | 127300 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 554 | 9 | 1 | 5 | 6.5 | CCn1nc(-c2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL366450 | 127300 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 554 | 9 | 1 | 5 | 6.5 | CCn1nc(-c2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| 44325917 | 155772 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 553 | 7 | 0 | 4 | 6.4 | COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(C(=O)c3cccc4ccccc34)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL406552 | 155772 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 553 | 7 | 0 | 4 | 6.4 | COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(C(=O)c3cccc4ccccc34)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| 44325710 | 205373 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 541 | 11 | 0 | 5 | 5.2 | COC(=O)N(CC1CCCC1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL92013 | 205373 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 541 | 11 | 0 | 5 | 5.2 | COC(=O)N(CC1CCCC1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| 53321427 | 58158 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.3 | CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683069 | 58158 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.3 | CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 54580469 | 60575 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 604 | 9 | 1 | 5 | 6.9 | Cc1cccc(OC(c2ccc(Br)cc2)C2CCN(C(C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)n1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762332 | 60575 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 604 | 9 | 1 | 5 | 6.9 | Cc1cccc(OC(c2ccc(Br)cc2)C2CCN(C(C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)n1 | 10.1016/j.bmcl.2011.02.058 | ||
| 11570431 | 91550 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.9 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL241502 | 91550 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.9 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 44325511 | 112075 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 492 | 7 | 0 | 3 | 7.5 | c1ccc(CN2C[C@H](CN3CCC(c4ccccc4)CC3)[C@@H](c3cccc(-c4ccsc4)c3)C2)cc1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL330065 | 112075 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 492 | 7 | 0 | 3 | 7.5 | c1ccc(CN2C[C@H](CN3CCC(c4ccccc4)CC3)[C@@H](c3cccc(-c4ccsc4)c3)C2)cc1 | 10.1016/s0960-894x(01)00545-5 | ||
| 44392092 | 63312 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 460 | 8 | 0 | 2 | 6.0 | CN(C(=O)Cc1cccc(Cl)c1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL180095 | 63312 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 460 | 8 | 0 | 2 | 6.0 | CN(C(=O)Cc1cccc(Cl)c1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 54580080 | 62535 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 512 | 5 | 1 | 4 | 6.3 | Cc1nc2ccccc2n1C1CC2CCC(C1)C2NCC1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 | 10.1021/jm200279v | ||
| CHEMBL1784386 | 62535 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 512 | 5 | 1 | 4 | 6.3 | Cc1nc2ccccc2n1C1CC2CCC(C1)C2NCC1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 | 10.1021/jm200279v | ||
| 3258407 | 84480 | 19 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 389 | 9 | 1 | 5 | 4.9 | C=C(C)Cc1c(C)c(C#N)c2nc3ccccc3n2c1NCCCN(CC)CC | 10.1021/jm061389p | ||
| CHEMBL223686 | 84480 | 19 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 389 | 9 | 1 | 5 | 4.9 | C=C(C)Cc1c(C)c(C#N)c2nc3ccccc3n2c1NCCCN(CC)CC | 10.1021/jm061389p | ||
| 57396949 | 70702 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 568 | 10 | 0 | 6 | 3.2 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCN(C(C)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951895 | 70702 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 568 | 10 | 0 | 6 | 3.2 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCN(C(C)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 483334 | 108096 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 593 | 13 | 0 | 7 | 6.9 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(Cn2cnc(-c3ccccc3)c2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| CHEMBL320365 | 108096 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 593 | 13 | 0 | 7 | 6.9 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(Cn2cnc(-c3ccccc3)c2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| 505873 | 27738 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 486 | 8 | 0 | 4 | 5.4 | C=CCN(c1cccnc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL137206 | 27738 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 486 | 8 | 0 | 4 | 5.4 | C=CCN(c1cccnc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 44401985 | 71072 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 501 | 7 | 1 | 6 | 4.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3cnc4ncccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL195930 | 71072 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 501 | 7 | 1 | 6 | 4.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3cnc4ncccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 44573339 | 172872 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 602 | 8 | 1 | 6 | 7.5 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(C(=O)O)c2ccc(Cl)s2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL452913 | 172872 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 602 | 8 | 1 | 6 | 7.5 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(C(=O)O)c2ccc(Cl)s2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 44573300 | 192610 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 526 | 5 | 0 | 6 | 6.1 | CS/C(=N/C#N)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL523512 | 192610 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 526 | 5 | 0 | 6 | 6.1 | CS/C(=N/C#N)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 505873 | 27738 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 486 | 8 | 0 | 4 | 5.4 | C=CCN(c1cccnc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL137206 | 27738 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 486 | 8 | 0 | 4 | 5.4 | C=CCN(c1cccnc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44401985 | 71072 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 501 | 7 | 1 | 6 | 4.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3cnc4ncccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL195930 | 71072 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 501 | 7 | 1 | 6 | 4.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3cnc4ncccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3010258 | 178521 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 526 | 8 | 2 | 4 | 6.0 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3nc(-c4ccccc4)c[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL471722 | 178521 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 526 | 8 | 2 | 4 | 6.0 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3nc(-c4ccccc4)c[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 46882082 | 5540 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 623 | 9 | 0 | 7 | 6.0 | CCCC[C@H]1CN(C[C@H]2CC[C@H](OC(C)C)CC2)C(=O)OC12CCN(C1C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C1)CC2 | 10.1016/j.bmcl.2010.02.004 | ||
| CHEMBL1077364 | 5540 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 623 | 9 | 0 | 7 | 6.0 | CCCC[C@H]1CN(C[C@H]2CC[C@H](OC(C)C)CC2)C(=O)OC12CCN(C1C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C1)CC2 | 10.1016/j.bmcl.2010.02.004 | ||
| 53324304 | 58156 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683067 | 58156 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 3010258 | 178521 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 526 | 8 | 2 | 4 | 6.0 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3nc(-c4ccccc4)c[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL471722 | 178521 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 526 | 8 | 2 | 4 | 6.0 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3nc(-c4ccccc4)c[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| 516340 | 59493 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.1 | Cn1cc(CCc2ccccc2)c(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL172721 | 59493 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.1 | Cn1cc(CCc2ccccc2)c(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 | 10.1016/j.bmcl.2003.12.004 | ||
| 44384012 | 161112 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 582 | 10 | 1 | 6 | 6.1 | CCn1ncc(C(=O)c2ccccc2)c1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL413058 | 161112 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 582 | 10 | 1 | 6 | 6.1 | CCn1ncc(C(=O)c2ccccc2)c1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| 505873 | 27738 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 486 | 8 | 0 | 4 | 5.4 | C=CCN(c1cccnc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL137206 | 27738 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 486 | 8 | 0 | 4 | 5.4 | C=CCN(c1cccnc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44401985 | 71072 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 501 | 7 | 1 | 6 | 4.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3cnc4ncccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL195930 | 71072 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 501 | 7 | 1 | 6 | 4.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3cnc4ncccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3010258 | 178521 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 526 | 8 | 2 | 4 | 6.0 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3nc(-c4ccccc4)c[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL471722 | 178521 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 526 | 8 | 2 | 4 | 6.0 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3nc(-c4ccccc4)c[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 5482808 | 204921 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 576 | 8 | 1 | 4 | 5.6 | O=S(=O)(NC[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)c1ccccc1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL89251 | 204921 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 576 | 8 | 1 | 4 | 5.6 | O=S(=O)(NC[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)c1ccccc1 | 10.1016/s0960-894x(00)00637-5 | ||
| 44392093 | 63162 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 502 | 9 | 0 | 2 | 7.0 | CN(C(=O)Cc1ccc(-c2ccccc2)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL179950 | 63162 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 502 | 9 | 0 | 2 | 7.0 | CN(C(=O)Cc1ccc(-c2ccccc2)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 483361 | 95965 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 619 | 14 | 0 | 7 | 6.6 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@H](C[C@@H](C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| CHEMBL261935 | 95965 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 619 | 14 | 0 | 7 | 6.6 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@H](C[C@@H](C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| 44590864 | 176145 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 472 | 8 | 2 | 4 | 4.9 | CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL460009 | 176145 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 472 | 8 | 2 | 4 | 4.9 | CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 3117 | 206106 | 100 | None | -8 | 16 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
| CHEMBL964 | 206106 | 100 | None | -8 | 16 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
| 25132945 | 171901 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 642 | 8 | 1 | 6 | 5.1 | O=C1NCN(c2ccccc2)C12CCN(CCOC1(c3ccc(Cl)c(Cl)c3)CCN(S(=O)(=O)c3ccccc3)CC1)CC2 | 10.1021/jm800598a | ||
| CHEMBL448199 | 171901 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 642 | 8 | 1 | 6 | 5.1 | O=C1NCN(c2ccccc2)C12CCN(CCOC1(c3ccc(Cl)c(Cl)c3)CCN(S(=O)(=O)c3ccccc3)CC1)CC2 | 10.1021/jm800598a | ||
| 5481714 | 203625 | 1 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 538 | 8 | 1 | 4 | 5.6 | CN(C[C@@H](CCN1CCC2(CC1)CC(O)c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL79566 | 203625 | 1 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 538 | 8 | 1 | 4 | 5.6 | CN(C[C@@H](CCN1CCC2(CC1)CC(O)c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| 44590704 | 189887 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 468 | 6 | 0 | 4 | 4.7 | Cc1ccnc(C)c1C(=O)N1CCC(N(C)C2CN(C(c3ccccc3)c3ccccc3)C2)CC1 | 10.1016/j.bmcl.2009.01.012 | ||
| CHEMBL517893 | 189887 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 468 | 6 | 0 | 4 | 4.7 | Cc1ccnc(C)c1C(=O)N1CCC(N(C)C2CN(C(c3ccccc3)c3ccccc3)C2)CC1 | 10.1016/j.bmcl.2009.01.012 | ||
| 46890427 | 6521 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 514 | 4 | 0 | 5 | 4.1 | Cc1cc(C#N)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C)C[C@H]3c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| CHEMBL1083126 | 6521 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 514 | 4 | 0 | 5 | 4.1 | Cc1cc(C#N)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C)C[C@H]3c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| 44573298 | 188439 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 527 | 7 | 0 | 4 | 6.4 | CCN(CC)C(=O)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL509179 | 188439 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 527 | 7 | 0 | 4 | 6.4 | CCN(CC)C(=O)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 10186729 | 13840 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@@H]([C@@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL1196666 | 13840 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@@H]([C@@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL557789 | 13840 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@@H]([C@@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| 46882873 | 5625 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 525 | 7 | 0 | 5 | 5.2 | CCCCC1N(CC2CCOCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| CHEMBL1078072 | 5625 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 525 | 7 | 0 | 5 | 5.2 | CCCCC1N(CC2CCOCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| 46883027 | 5709 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 579 | 7 | 0 | 7 | 5.1 | CCCCC1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)cc(C#N)nc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| CHEMBL1078711 | 5709 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 579 | 7 | 0 | 7 | 5.1 | CCCCC1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)cc(C#N)nc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| 501048 | 109135 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 608 | 12 | 1 | 5 | 7.2 | O=C(OCc1ccccc1)[C@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| CHEMBL322232 | 109135 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 608 | 12 | 1 | 5 | 7.2 | O=C(OCc1ccccc1)[C@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| 44392196 | 65263 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 481 | 10 | 1 | 2 | 6.4 | C=CCN(C(=O)NCc1cccc(C)c1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL183261 | 65263 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 481 | 10 | 1 | 2 | 6.4 | C=CCN(C(=O)NCc1cccc(C)c1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 474155 | 11950 | 2 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 451 | 5 | 1 | 1 | 6.8 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+]4(C)CCCCC4)cc2)CC3)cc1 | 10.1021/jm9906264 | ||
| CHEMBL1183547 | 11950 | 2 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 451 | 5 | 1 | 1 | 6.8 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+]4(C)CCCCC4)cc2)CC3)cc1 | 10.1021/jm9906264 | ||
| CHEMBL303964 | 11950 | 2 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 451 | 5 | 1 | 1 | 6.8 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+]4(C)CCCCC4)cc2)CC3)cc1 | 10.1021/jm9906264 | ||
| 5482456 | 203603 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 511 | 9 | 0 | 4 | 5.3 | Cc1ccccc1N1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1016/s0960-894x(01)00491-7 | ||
| CHEMBL79369 | 203603 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 511 | 9 | 0 | 4 | 5.3 | Cc1ccccc1N1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1016/s0960-894x(01)00491-7 | ||
| 483352 | 112387 | 2 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 562 | 12 | 0 | 5 | 6.3 | CCN(C(=O)OCc1ccccc1)C1CCN(CCC(C)(CCS(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| CHEMBL331007 | 112387 | 2 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 562 | 12 | 0 | 5 | 6.3 | CCN(C(=O)OCc1ccccc1)C1CCN(CCC(C)(CCS(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| 483341 | 108707 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 550 | 12 | 0 | 5 | 7.1 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CCC(Cn2c(CC)nc3ccccc32)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| CHEMBL321539 | 108707 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 550 | 12 | 0 | 5 | 7.1 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CCC(Cn2c(CC)nc3ccccc32)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| 44590222 | 178531 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 419 | 5 | 1 | 3 | 3.7 | CC(=O)NC(c1ccccc1)C1CN(C2CCN(C(=O)c3c(C)cccc3C)CC2)C1 | 10.1016/j.bmcl.2009.01.012 | ||
| CHEMBL471844 | 178531 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 419 | 5 | 1 | 3 | 3.7 | CC(=O)NC(c1ccccc1)C1CN(C2CCN(C(=O)c3c(C)cccc3C)CC2)C1 | 10.1016/j.bmcl.2009.01.012 | ||
| 489312 | 4849 | 2 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 508 | 9 | 0 | 4 | 5.9 | O=S(=O)(c1cccs1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00652-7 | ||
| CHEMBL104628 | 4849 | 2 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 508 | 9 | 0 | 4 | 5.9 | O=S(=O)(c1cccs1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00652-7 | ||
| 25230829 | 182653 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 519 | 6 | 0 | 6 | 3.6 | CCCCC1CN(S(C)(=O)=O)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| CHEMBL479627 | 182653 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 519 | 6 | 0 | 6 | 3.6 | CCCCC1CN(S(C)(=O)=O)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| 483339 | 4817 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 522 | 11 | 0 | 5 | 6.5 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CCC(Cn2cnc3ccccc32)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| CHEMBL104474 | 4817 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 522 | 11 | 0 | 5 | 6.5 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CCC(Cn2cnc3ccccc32)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| 489331 | 5186 | 2 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 554 | 9 | 2 | 3 | 6.3 | O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1CC(CCN1CCC(c2ccccc2)CC1)c1cccc(Cl)c1 | 10.1016/s0960-894x(01)00654-0 | ||
| CHEMBL106381 | 5186 | 2 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 554 | 9 | 2 | 3 | 6.3 | O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1CC(CCN1CCC(c2ccccc2)CC1)c1cccc(Cl)c1 | 10.1016/s0960-894x(01)00654-0 | ||
| 46890429 | 7149 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 641 | 8 | 0 | 7 | 5.5 | CCO[C@H]1CC[C@H](CN2C[C@H](c3ccccn3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)cc(C#N)nc5C)CC4)CC3)C2=O)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| CHEMBL1085722 | 7149 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 641 | 8 | 0 | 7 | 5.5 | CCO[C@H]1CC[C@H](CN2C[C@H](c3ccccn3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)cc(C#N)nc5C)CC4)CC3)C2=O)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| 46888604 | 8478 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 545 | 8 | 1 | 5 | 4.4 | Cc1nc(Cl)nc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1094518 | 8478 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 545 | 8 | 1 | 5 | 4.4 | Cc1nc(Cl)nc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 16073666 | 78055 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 650 | 11 | 0 | 6 | 5.0 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| CHEMBL211175 | 78055 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 650 | 11 | 0 | 6 | 5.0 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| 16073674 | 79489 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 626 | 12 | 0 | 7 | 4.6 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(OC)c2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| CHEMBL212408 | 79489 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 626 | 12 | 0 | 7 | 4.6 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(OC)c2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| 11520480 | 103071 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 710 | 17 | 1 | 7 | 9.3 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCCCN3CCC)cc1 | 10.1021/jm0509703 | ||
| CHEMBL3085312 | 103071 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 710 | 17 | 1 | 7 | 9.3 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCCCN3CCC)cc1 | 10.1021/jm0509703 | ||
| 44555481 | 5640 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 555 | 7 | 0 | 7 | 4.6 | CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| CHEMBL1078231 | 5640 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 555 | 7 | 0 | 7 | 4.6 | CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| 11342841 | 5713 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 555 | 7 | 0 | 7 | 4.6 | CCCCC1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| CHEMBL1078723 | 5713 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 555 | 7 | 0 | 7 | 4.6 | CCCCC1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| 46882078 | 5536 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 581 | 7 | 0 | 7 | 4.9 | CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C1)CC2 | 10.1016/j.bmcl.2010.02.004 | ||
| CHEMBL1077360 | 5536 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 581 | 7 | 0 | 7 | 4.9 | CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C1)CC2 | 10.1016/j.bmcl.2010.02.004 | ||
| 44461561 | 203666 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 529 | 10 | 0 | 5 | 5.2 | CCN(C(=O)OC(C)(C)C)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL79930 | 203666 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 529 | 10 | 0 | 5 | 5.2 | CCN(C(=O)OC(C)(C)C)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 478410 | 204186 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 514 | 9 | 0 | 3 | 6.2 | CN(C[C@@H](CCN1CCC(c2ccc(F)cc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| CHEMBL83957 | 204186 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 514 | 9 | 0 | 3 | 6.2 | CN(C[C@@H](CCN1CCC(c2ccc(F)cc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| 474157 | 11176 | 2 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 465 | 5 | 1 | 1 | 7.2 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+]4(C)CCCCC4)cc2)CCC3)cc1 | 10.1021/jm9906264 | ||
| CHEMBL1179155 | 11176 | 2 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 465 | 5 | 1 | 1 | 7.2 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+]4(C)CCCCC4)cc2)CCC3)cc1 | 10.1021/jm9906264 | ||
| CHEMBL62549 | 11176 | 2 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 465 | 5 | 1 | 1 | 7.2 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+]4(C)CCCCC4)cc2)CCC3)cc1 | 10.1021/jm9906264 | ||
| 44590800 | 176218 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 9 | 1 | 3 | 5.7 | CCN(C(=O)c1ccc(Cl)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL460629 | 176218 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 9 | 1 | 3 | 5.7 | CCN(C(=O)c1ccc(Cl)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 72711048 | 92252 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 550 | 8 | 1 | 5 | 5.0 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(F)c2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435893 | 92252 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 550 | 8 | 1 | 5 | 5.0 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(F)c2)CC1 | 10.1021/jm401101p | ||
| 489328 | 4950 | 2 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 515 | 9 | 1 | 3 | 5.9 | O=C1N[C@H](Cc2ccccc2)C(=O)N1CC(CCN1CCC(c2ccccc2)CC1)c1cccc(Cl)c1 | 10.1016/s0960-894x(01)00654-0 | ||
| CHEMBL105109 | 4950 | 2 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 515 | 9 | 1 | 3 | 5.9 | O=C1N[C@H](Cc2ccccc2)C(=O)N1CC(CCN1CCC(c2ccccc2)CC1)c1cccc(Cl)c1 | 10.1016/s0960-894x(01)00654-0 | ||
| 478413 | 203671 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 510 | 10 | 0 | 3 | 6.1 | CN(C[C@@H](CCN1CCC(Cc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| CHEMBL79958 | 203671 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 510 | 10 | 0 | 3 | 6.1 | CN(C[C@@H](CCN1CCC(Cc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| 44415756 | 79393 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 471 | 9 | 1 | 5 | 4.9 | Cc1nnc(Cc2ccccc2)n1C1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2006.06.012 | ||
| CHEMBL212017 | 79393 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 471 | 9 | 1 | 5 | 4.9 | Cc1nnc(Cc2ccccc2)n1C1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2006.06.012 | ||
| 478409 | 204188 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 530 | 9 | 0 | 3 | 6.7 | CN(C[C@@H](CCN1CCC(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL83963 | 204188 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 530 | 9 | 0 | 3 | 6.7 | CN(C[C@@H](CCN1CCC(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| 478410 | 204186 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 514 | 9 | 0 | 3 | 6.2 | CN(C[C@@H](CCN1CCC(c2ccc(F)cc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL83957 | 204186 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 514 | 9 | 0 | 3 | 6.2 | CN(C[C@@H](CCN1CCC(c2ccc(F)cc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| 70848 | 204945 | 105 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 233 | 2 | 0 | 3 | 3.2 | c1ccc(-c2cccc(-c3ccccn3)n2)nc1 | 10.1021/jm301121j | ||
| CHEMBL89445 | 204945 | 105 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 233 | 2 | 0 | 3 | 3.2 | c1ccc(-c2cccc(-c3ccccn3)n2)nc1 | 10.1021/jm301121j | ||
| 54585963 | 62540 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 547 | 7 | 1 | 5 | 6.5 | CNc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm200279v | ||
| CHEMBL1784397 | 62540 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 547 | 7 | 1 | 5 | 6.5 | CNc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm200279v | ||
| 54580082 | 62545 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 548 | 7 | 0 | 5 | 6.5 | COc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm200279v | ||
| CHEMBL1784402 | 62545 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 548 | 7 | 0 | 5 | 6.5 | COc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm200279v | ||
| 54581068 | 62537 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 547 | 6 | 0 | 4 | 5.5 | O=C(c1ccccc1)N1CCC(CCN2C3CCC2CC(N2C(=O)c4ccccc4C2=O)C3)(c2ccccc2)CC1 | 10.1021/jm200279v | ||
| CHEMBL1784391 | 62537 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 547 | 6 | 0 | 4 | 5.5 | O=C(c1ccccc1)N1CCC(CCN2C3CCC2CC(N2C(=O)c4ccccc4C2=O)C3)(c2ccccc2)CC1 | 10.1021/jm200279v | ||
| 70848 | 204945 | 105 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 233 | 2 | 0 | 3 | 3.2 | c1ccc(-c2cccc(-c3ccccn3)n2)nc1 | 10.1021/jm301121j | ||
| CHEMBL89445 | 204945 | 105 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 233 | 2 | 0 | 3 | 3.2 | c1ccc(-c2cccc(-c3ccccn3)n2)nc1 | 10.1021/jm301121j | ||
| 456374 | 205023 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 410 | 6 | 0 | 2 | 5.8 | c1ccc(CN2C[C@H](CN3CCC(c4ccccc4)CC3)[C@@H](c3ccccc3)C2)cc1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL90015 | 205023 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 410 | 6 | 0 | 2 | 5.8 | c1ccc(CN2C[C@H](CN3CCC(c4ccccc4)CC3)[C@@H](c3ccccc3)C2)cc1 | 10.1016/s0960-894x(01)00545-5 | ||
| 54582104 | 62539 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 533 | 6 | 1 | 5 | 6.1 | Nc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm200279v | ||
| CHEMBL1784396 | 62539 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 533 | 6 | 1 | 5 | 6.1 | Nc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm200279v | ||
| 489594 | 112259 | 2 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 520 | 5 | 0 | 4 | 4.2 | O=S(=O)(c1ccccc1)N1C[C@H](CN2CCC3(CC2)C[S+]([O-])c2ccccc23)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00232-3 | ||
| CHEMBL330528 | 112259 | 2 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 520 | 5 | 0 | 4 | 4.2 | O=S(=O)(c1ccccc1)N1C[C@H](CN2CCC3(CC2)C[S+]([O-])c2ccccc23)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00232-3 | ||
| 46890340 | 7029 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 654 | 6 | 1 | 6 | 4.6 | CNC(=O)N1CCC(CN2C[C@@H](c3ccccc3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)cc(C#N)nc5C)CC4)CC3)C2=O)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| CHEMBL1085217 | 7029 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 654 | 6 | 1 | 6 | 4.6 | CNC(=O)N1CCC(CN2C[C@@H](c3ccccc3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)cc(C#N)nc5C)CC4)CC3)C2=O)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| 25206071 | 7031 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 631 | 6 | 0 | 7 | 4.5 | COC(=O)N1CCC(CN2C[C@@H](c3ccccc3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)ncnc5C)CC4)CC3)C2=O)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| CHEMBL1085219 | 7031 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 631 | 6 | 0 | 7 | 4.5 | COC(=O)N1CCC(CN2C[C@@H](c3ccccc3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)ncnc5C)CC4)CC3)C2=O)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| 46888526 | 8843 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 503 | 8 | 1 | 4 | 4.8 | COc1cc(C)c(C(=O)N2C[C@@H]3CN(CC[C@H](NC(=O)C4CCCC4)c4ccccc4)C[C@@H]3C2)c(C)c1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1097816 | 8843 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 503 | 8 | 1 | 4 | 4.8 | COc1cc(C)c(C(=O)N2C[C@@H]3CN(CC[C@H](NC(=O)C4CCCC4)c4ccccc4)C[C@@H]3C2)c(C)c1 | 10.1016/j.bmcl.2010.03.095 | ||
| 44404639 | 72008 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 575 | 11 | 1 | 5 | 5.1 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(NC(C)=O)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL198497 | 72008 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 575 | 11 | 1 | 5 | 5.1 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(NC(C)=O)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 489594 | 112259 | 2 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 520 | 5 | 0 | 4 | 4.2 | O=S(=O)(c1ccccc1)N1C[C@H](CN2CCC3(CC2)C[S+]([O-])c2ccccc23)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL330528 | 112259 | 2 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 520 | 5 | 0 | 4 | 4.2 | O=S(=O)(c1ccccc1)N1C[C@H](CN2CCC3(CC2)C[S+]([O-])c2ccccc23)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| 53325639 | 58162 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683073 | 58162 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 3010257 | 178380 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 527 | 8 | 1 | 5 | 6.3 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3nocc3-c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL470507 | 178380 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 527 | 8 | 1 | 5 | 6.3 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3nocc3-c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44404710 | 72083 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 561 | 11 | 1 | 5 | 4.3 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(C(N)=O)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL198777 | 72083 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 561 | 11 | 1 | 5 | 4.3 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(C(N)=O)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 478399 | 204161 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 524 | 8 | 0 | 4 | 5.6 | CN(C[C@@H](CCN1CCC2(CC1)Cc1ccccc1O2)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| CHEMBL83818 | 204161 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 524 | 8 | 0 | 4 | 5.6 | CN(C[C@@H](CCN1CCC2(CC1)Cc1ccccc1O2)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| 489820 | 110933 | 2 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 425 | 5 | 0 | 3 | 4.8 | O=C(c1cccnc1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL327354 | 110933 | 2 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 425 | 5 | 0 | 3 | 4.8 | O=C(c1cccnc1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| 44392132 | 65763 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 494 | 8 | 0 | 2 | 6.7 | CN(C(=O)Cc1ccc(Cl)cc1Cl)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL183875 | 65763 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 494 | 8 | 0 | 2 | 6.7 | CN(C(=O)Cc1ccc(Cl)cc1Cl)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 5481747 | 111063 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 640 | 8 | 0 | 4 | 7.1 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc2ccccc12 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL328025 | 111063 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 640 | 8 | 0 | 4 | 7.1 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc2ccccc12 | 10.1007/s00044-011-9863-2 | ||
| 44532866 | 188212 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 615 | 6 | 1 | 4 | 8.2 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL505908 | 188212 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 615 | 6 | 1 | 4 | 8.2 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 478493 | 205066 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 557 | 8 | 0 | 4 | 4.4 | CN(C)S(=O)(=O)N(C)C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL90272 | 205066 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 557 | 8 | 0 | 4 | 4.4 | CN(C)S(=O)(=O)N(C)C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1 | 10.1007/s00044-011-9863-2 | ||
| 44373672 | 52181 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 438 | 5 | 0 | 3 | 6.0 | c1ccc(C2CCN(C[C@H]3CN4O[C@H](c5ccccc5)C[C@H]4[C@@H]3c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(01)00835-6 | ||
| CHEMBL159097 | 52181 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 438 | 5 | 0 | 3 | 6.0 | c1ccc(C2CCN(C[C@H]3CN4O[C@H](c5ccccc5)C[C@H]4[C@@H]3c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(01)00835-6 | ||
| 76317476 | 104308 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 996 | 35 | 1 | 15 | 8.1 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)CCCCCCCCCCn1cc(COCCOCCOCCOCCOCc2ccc(C(=O)N3CCC3=O)cc2)nn1)c1ccccc1 | 10.1021/ml400370w | ||
| CHEMBL3109174 | 104308 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 996 | 35 | 1 | 15 | 8.1 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)CCCCCCCCCCn1cc(COCCOCCOCCOCCOCc2ccc(C(=O)N3CCC3=O)cc2)nn1)c1ccccc1 | 10.1021/ml400370w | ||
| 25230899 | 172158 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 585 | 7 | 0 | 8 | 3.8 | CCCCC1CN(S(=O)(=O)c2cn(C)cn2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| CHEMBL450639 | 172158 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 585 | 7 | 0 | 8 | 3.8 | CCCCC1CN(S(=O)(=O)c2cn(C)cn2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| 483331 | 5155 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 567 | 12 | 0 | 7 | 6.4 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(Cn2cc3ccccc3n2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| CHEMBL106231 | 5155 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 567 | 12 | 0 | 7 | 6.4 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(Cn2cc3ccccc3n2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| 25205921 | 7039 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 574 | 6 | 0 | 6 | 4.5 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CC4CCOCC4)CC3c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| CHEMBL1085228 | 7039 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 574 | 6 | 0 | 6 | 4.5 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CC4CCOCC4)CC3c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| 46888566 | 8859 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 539 | 8 | 1 | 5 | 4.6 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1098014 | 8859 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 539 | 8 | 1 | 5 | 4.6 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 3010257 | 178380 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 527 | 8 | 1 | 5 | 6.3 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3nocc3-c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL470507 | 178380 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 527 | 8 | 1 | 5 | 6.3 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3nocc3-c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44431986 | 166785 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 617 | 10 | 3 | 6 | 5.8 | COc1cccc(OC)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL429442 | 166785 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 617 | 10 | 3 | 6 | 5.8 | COc1cccc(OC)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| 44455031 | 154624 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 6.0 | COc1ccc(NC(=O)N(CCCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nnc2C(C)C)C3)c2ccccc2)cc1 | 10.1016/j.bmcl.2007.12.058 | ||
| CHEMBL402242 | 154624 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 6.0 | COc1ccc(NC(=O)N(CCCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nnc2C(C)C)C3)c2ccccc2)cc1 | 10.1016/j.bmcl.2007.12.058 | ||
| 44555482 | 5712 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 589 | 7 | 0 | 6 | 6.0 | CCCC[C@H]1CN(CC2CCC(F)(F)CC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| CHEMBL1078714 | 5712 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 589 | 7 | 0 | 6 | 6.0 | CCCC[C@H]1CN(CC2CCC(F)(F)CC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| 46882083 | 5541 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 621 | 9 | 0 | 7 | 5.8 | CCCC[C@H]1CN(C[C@H]2CC[C@H](OC3CC3)CC2)C(=O)OC12CCN(C1C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C1)CC2 | 10.1016/j.bmcl.2010.02.004 | ||
| CHEMBL1077365 | 5541 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 621 | 9 | 0 | 7 | 5.8 | CCCC[C@H]1CN(C[C@H]2CC[C@H](OC3CC3)CC2)C(=O)OC12CCN(C1C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C1)CC2 | 10.1016/j.bmcl.2010.02.004 | ||
| 3010257 | 178380 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 527 | 8 | 1 | 5 | 6.3 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3nocc3-c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL470507 | 178380 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 527 | 8 | 1 | 5 | 6.3 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3nocc3-c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| 72713860 | 92272 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 532 | 8 | 1 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435913 | 92272 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 532 | 8 | 1 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 5481859 | 203647 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 540 | 8 | 0 | 4 | 6.3 | CN(C[C@@H](CCN1CCC2(CC1)CSc1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| CHEMBL79716 | 203647 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 540 | 8 | 0 | 4 | 6.3 | CN(C[C@@H](CCN1CCC2(CC1)CSc1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| 5481861 | 167441 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL432040 | 167441 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 5481859 | 203647 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 540 | 8 | 0 | 4 | 6.3 | CN(C[C@@H](CCN1CCC2(CC1)CSc1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL79716 | 203647 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 540 | 8 | 0 | 4 | 6.3 | CN(C[C@@H](CCN1CCC2(CC1)CSc1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 44392136 | 64508 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 486 | 10 | 0 | 4 | 5.4 | COc1cc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc(OC)c1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL182010 | 64508 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 486 | 10 | 0 | 4 | 5.4 | COc1cc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc(OC)c1 | 10.1016/j.bmcl.2004.10.044 | ||
| 44455103 | 155204 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 500 | 8 | 1 | 5 | 6.3 | Cc1ccccc1NC(=O)N(CCCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nnc1C(C)C)C2)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| CHEMBL405634 | 155204 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 500 | 8 | 1 | 5 | 6.3 | Cc1ccccc1NC(=O)N(CCCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nnc1C(C)C)C2)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| 44455177 | 160482 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 452 | 9 | 1 | 5 | 4.9 | CCCNC(=O)N(CCCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nnc1C(C)C)C2)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| CHEMBL411640 | 160482 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 452 | 9 | 1 | 5 | 4.9 | CCCNC(=O)N(CCCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nnc1C(C)C)C2)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| 53389637 | 170000 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 317 | 3 | 2 | 5 | 2.4 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4450273 | 170000 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 317 | 3 | 2 | 5 | 2.4 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 72712372 | 92231 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 499 | 6 | 0 | 6 | 4.7 | Cn1nnc(-c2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)n1 | 10.1021/jm401101p | ||
| CHEMBL2435872 | 92231 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 499 | 6 | 0 | 6 | 4.7 | Cn1nnc(-c2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)n1 | 10.1021/jm401101p | ||
| 44431944 | 87664 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 411 | 5 | 0 | 2 | 5.6 | FC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL234672 | 87664 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 411 | 5 | 0 | 2 | 5.6 | FC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| 483338 | 5039 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 518 | 12 | 0 | 8 | 4.6 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(Cn2cncn2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| CHEMBL105606 | 5039 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 518 | 12 | 0 | 8 | 4.6 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(Cn2cncn2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| 44404702 | 71731 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 532 | 10 | 0 | 4 | 5.5 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(C)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL197714 | 71731 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 532 | 10 | 0 | 4 | 5.5 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(C)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 16728784 | 12688 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 493 | 9 | 2 | 5 | 4.1 | CCCCN1C(=O)C(CC(C)(C)O)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL1188107 | 12688 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 493 | 9 | 2 | 5 | 4.1 | CCCCN1C(=O)C(CC(C)(C)O)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL535172 | 12688 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 493 | 9 | 2 | 5 | 4.1 | CCCCN1C(=O)C(CC(C)(C)O)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| 5275840 | 64553 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 483 | 8 | 0 | 4 | 3.6 | CN1C(=O)CCC2CN(CC[C@](C)(CN(C)S(=O)(=O)c3ccccc3)c3ccccc3)CCC21 | 10.1016/j.bmcl.2004.12.044 | ||
| CHEMBL182188 | 64553 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 483 | 8 | 0 | 4 | 3.6 | CN1C(=O)CCC2CN(CC[C@](C)(CN(C)S(=O)(=O)c3ccccc3)c3ccccc3)CCC21 | 10.1016/j.bmcl.2004.12.044 | ||
| 44564984 | 186476 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 508 | 8 | 1 | 6 | 4.2 | CC(=O)N1CCC(C(=O)N[C@@H](CC(C)N2CCC(n3c(C)nnc3C(C)C)CC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL491154 | 186476 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 508 | 8 | 1 | 6 | 4.2 | CC(=O)N1CCC(C(=O)N[C@@H](CC(C)N2CCC(n3c(C)nnc3C(C)C)CC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| 56647023 | 92239 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 552 | 8 | 1 | 4 | 6.4 | NC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| CHEMBL2435880 | 92239 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 552 | 8 | 1 | 4 | 6.4 | NC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| 44565558 | 178664 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cn4ccncc4n3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL472799 | 178664 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cn4ccncc4n3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44431944 | 87664 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 411 | 5 | 0 | 2 | 5.6 | FC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL234672 | 87664 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 411 | 5 | 0 | 2 | 5.6 | FC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| 52948162 | 18202 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 531 | 8 | 0 | 5 | 4.6 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(C(=O)CC(C)C)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| CHEMBL1271310 | 18202 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 531 | 8 | 0 | 5 | 4.6 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(C(=O)CC(C)C)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| 11669935 | 58146 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 467 | 5 | 1 | 4 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683055 | 58146 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 467 | 5 | 1 | 4 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 52949601 | 18004 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 515 | 7 | 0 | 5 | 3.9 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CN(C(=O)C4CCCC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| CHEMBL1269884 | 18004 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 515 | 7 | 0 | 5 | 3.9 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CN(C(=O)C4CCCC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| 57392726 | 67529 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 490 | 8 | 0 | 5 | 4.2 | COc1ccc(OC)c(S(=O)(=O)N2CCC(CN3CCC(Cc4ccc(F)cc4)CC3)CC2)c1 | 10.1016/j.bmcl.2011.09.013 | ||
| CHEMBL1910167 | 67529 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 490 | 8 | 0 | 5 | 4.2 | COc1ccc(OC)c(S(=O)(=O)N2CCC(CN3CCC(Cc4ccc(F)cc4)CC3)CC2)c1 | 10.1016/j.bmcl.2011.09.013 | ||
| 154572822 | 170535 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 542 | 7 | 2 | 7 | 2.8 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
| CHEMBL4457723 | 170535 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 542 | 7 | 2 | 7 | 2.8 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
| 16728624 | 89873 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 452 | 8 | 3 | 4 | 4.4 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc(OCc2ccccc2)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL238546 | 89873 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 452 | 8 | 3 | 4 | 4.4 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc(OCc2ccccc2)cc1 | 10.1007/s00044-012-0118-7 | ||
| 44565558 | 178664 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cn4ccncc4n3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL472799 | 178664 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cn4ccncc4n3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 16728785 | 12721 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL1188408 | 12721 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL536298 | 12721 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| 44565558 | 178664 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cn4ccncc4n3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL472799 | 178664 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cn4ccncc4n3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44455072 | 95141 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 500 | 8 | 1 | 5 | 6.3 | Cc1cccc(NC(=O)N(CCCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nnc2C(C)C)C3)c2ccccc2)c1 | 10.1016/j.bmcl.2007.12.058 | ||
| CHEMBL257728 | 95141 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 500 | 8 | 1 | 5 | 6.3 | Cc1cccc(NC(=O)N(CCCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nnc2C(C)C)C3)c2ccccc2)c1 | 10.1016/j.bmcl.2007.12.058 | ||
| 25133964 | 102815 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 596 | 5 | 0 | 5 | 8.2 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 | 10.1021/jm800598a | ||
| CHEMBL3084498 | 102815 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 596 | 5 | 0 | 5 | 8.2 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 | 10.1021/jm800598a | ||
| 44374086 | 54696 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 438 | 5 | 0 | 3 | 6.0 | c1ccc(C2CCN(C[C@@H]3[C@@H](c4ccccc4)CN4O[C@H](c5ccccc5)C[C@@H]34)CC2)cc1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL161594 | 54696 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 438 | 5 | 0 | 3 | 6.0 | c1ccc(C2CCN(C[C@@H]3[C@@H](c4ccccc4)CN4O[C@H](c5ccccc5)C[C@@H]34)CC2)cc1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44392117 | 64906 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 510 | 9 | 0 | 3 | 6.3 | CN(C(=O)Cc1ccc(OC(F)(F)F)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL182684 | 64906 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 510 | 9 | 0 | 3 | 6.3 | CN(C(=O)Cc1ccc(OC(F)(F)F)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 54583458 | 60554 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 530 | 9 | 1 | 5 | 4.4 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C(C)CCNC(=O)c2c(C)cc[n+]([O-])c2C)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762304 | 60554 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 530 | 9 | 1 | 5 | 4.4 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C(C)CCNC(=O)c2c(C)cc[n+]([O-])c2C)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 16728624 | 89873 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 452 | 8 | 3 | 4 | 4.4 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc(OCc2ccccc2)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL238546 | 89873 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 452 | 8 | 3 | 4 | 4.4 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc(OCc2ccccc2)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 162657824 | 180544 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 482 | 5 | 3 | 4 | 2.9 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4760566 | 180544 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 482 | 5 | 3 | 4 | 2.9 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| 72711279 | 92258 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 533 | 8 | 1 | 6 | 4.3 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccnc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435899 | 92258 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 533 | 8 | 1 | 6 | 4.3 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccnc2)CC1 | 10.1021/jm401101p | ||
| 5481715 | 103929 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 537 | 8 | 1 | 4 | 4.9 | CN(C[C@@H](CCN1CCC2(CC1)NC(=O)c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL310305 | 103929 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 537 | 8 | 1 | 4 | 4.9 | CN(C[C@@H](CCN1CCC2(CC1)NC(=O)c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| 489306 | 5107 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 510 | 12 | 0 | 4 | 6.3 | CN(CC(CCN1CCC(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1cccs1 | 10.1016/s0960-894x(01)00652-7 | ||
| CHEMBL105987 | 5107 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 510 | 12 | 0 | 4 | 6.3 | CN(CC(CCN1CCC(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1cccs1 | 10.1016/s0960-894x(01)00652-7 | ||
| CHEMBL3109172 | 209340 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | Cc1nnc(CCCCCCCCCCn2cc(COCCOCCOCCOCCOCc3ccc(C(=O)NCCCNC(=O)OC(C)(C)C)cc3)nn2)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 | 10.1021/ml400370w | ||||
| 11285792 | 866 | 30 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm300682j | ||
| 801 | 866 | 30 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm300682j | ||
| CHEMBL2110727 | 866 | 30 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm300682j | ||
| DB11758 | 866 | 30 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm300682j | ||
| 44590439 | 178592 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 487 | 6 | 0 | 3 | 5.2 | Cc1cccc(C)c1C(=O)N1CCC(N2CCC(N(Cc3ccccc3)C(=O)C3CCC3)CC2)CC1 | 10.1016/j.bmcl.2009.01.012 | ||
| CHEMBL472260 | 178592 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 487 | 6 | 0 | 3 | 5.2 | Cc1cccc(C)c1C(=O)N1CCC(N2CCC(N(Cc3ccccc3)C(=O)C3CCC3)CC2)CC1 | 10.1016/j.bmcl.2009.01.012 | ||
| 489342 | 5324 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 667 | 13 | 2 | 5 | 6.7 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CCC(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2cccc(Cl)c2)CC1 | 10.1016/s0960-894x(01)00654-0 | ||
| CHEMBL107128 | 5324 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 667 | 13 | 2 | 5 | 6.7 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CCC(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2cccc(Cl)c2)CC1 | 10.1016/s0960-894x(01)00654-0 | ||
| 46888478 | 8722 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 487 | 7 | 1 | 3 | 5.1 | Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCCC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1096764 | 8722 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 487 | 7 | 1 | 3 | 5.1 | Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCCC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 3002977 | 2426 | 70 | None | -3 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/jm300682j | ||
| 803 | 2426 | 70 | None | -3 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/jm300682j | ||
| 806 | 2426 | 70 | None | -3 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/jm300682j | ||
| CHEMBL1201187 | 2426 | 70 | None | -3 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/jm300682j | ||
| CHEMBL256907 | 2426 | 70 | None | -3 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/jm300682j | ||
| CHEMBL584744 | 2426 | 70 | None | -3 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/jm300682j | ||
| DB04835 | 2426 | 70 | None | -3 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/jm300682j | ||
| 44565791 | 180168 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4cccnn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL475606 | 180168 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4cccnn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 496971 | 107077 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 5.8 | O=C(O)c1cccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1 | 10.1016/s0960-894x(02)00605-4 | ||
| CHEMBL318909 | 107077 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 5.8 | O=C(O)c1cccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1 | 10.1016/s0960-894x(02)00605-4 | ||
| 44573253 | 186681 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 508 | 7 | 0 | 5 | 6.7 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(Cc2ccco2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL492728 | 186681 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 508 | 7 | 0 | 5 | 6.7 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(Cc2ccco2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 10438399 | 188363 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 590 | 8 | 1 | 5 | 7.4 | Cc1cccc(C(C(=O)O)N2CCC(CCN3[C@H]4CC[C@@H]3C[C@H](n3c(C)nc5ccccc53)C4)(c3ccccc3)CC2)c1C | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL508114 | 188363 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 590 | 8 | 1 | 5 | 7.4 | Cc1cccc(C(C(=O)O)N2CCC(CCN3[C@H]4CC[C@@H]3C[C@H](n3c(C)nc5ccccc53)C4)(c3ccccc3)CC2)c1C | 10.1016/j.bmcl.2009.02.014 | ||
| 10030170 | 188479 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 538 | 6 | 0 | 6 | 6.2 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(/C(=N\C#N)OC(C)C)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL509665 | 188479 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 538 | 6 | 0 | 6 | 6.2 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(/C(=N\C#N)OC(C)C)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 3009355 | 3926 | 21 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 10.1021/ml1001536 | ||
| 807 | 3926 | 21 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 10.1021/ml1001536 | ||
| CHEMBL82301 | 3926 | 21 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 10.1021/ml1001536 | ||
| DB06652 | 3926 | 21 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 10.1021/ml1001536 | ||
| 501053 | 4523 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 9 | 2 | 4 | 4.0 | C[C@H](C(=O)O)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL102675 | 4523 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 9 | 2 | 4 | 4.0 | C[C@H](C(=O)O)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 501059 | 107033 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 460 | 10 | 1 | 3 | 5.3 | O=C(O)[C@@H](C1CC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL318681 | 107033 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 460 | 10 | 1 | 3 | 5.3 | O=C(O)[C@@H](C1CC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 496971 | 107077 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 5.8 | O=C(O)c1cccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL318909 | 107077 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 5.8 | O=C(O)c1cccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1 | 10.1016/j.ejmech.2008.01.040 | ||
| 516328 | 127592 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 596 | 12 | 1 | 5 | 7.2 | CCCCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL366536 | 127592 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 596 | 12 | 1 | 5 | 7.2 | CCCCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 516332 | 130151 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1ncc(Cc2ccccc2)c1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL368265 | 130151 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1ncc(Cc2ccccc2)c1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44565791 | 180168 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4cccnn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL475606 | 180168 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4cccnn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3008913 | 101506 | 1 | None | - | 0 | Crab-eating macaque | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 495 | 6 | 0 | 3 | 6.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL301454 | 101506 | 1 | None | - | 0 | Crab-eating macaque | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 495 | 6 | 0 | 3 | 6.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 501053 | 4523 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 9 | 2 | 4 | 4.0 | C[C@H](C(=O)O)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| CHEMBL102675 | 4523 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 9 | 2 | 4 | 4.0 | C[C@H](C(=O)O)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| 501059 | 107033 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 460 | 10 | 1 | 3 | 5.3 | O=C(O)[C@@H](C1CC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| CHEMBL318681 | 107033 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 460 | 10 | 1 | 3 | 5.3 | O=C(O)[C@@H](C1CC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| 44461275 | 104427 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 591 | 13 | 0 | 5 | 6.3 | CCCN(C(=O)OCc1ccc(C)cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL311261 | 104427 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 591 | 13 | 0 | 5 | 6.3 | CCCN(C(=O)OCc1ccc(C)cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 486607 | 203853 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 654 | 14 | 1 | 6 | 5.7 | CCCN(C(=O)OCc1ccc(C(N)=O)cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL81245 | 203853 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 654 | 14 | 1 | 6 | 5.7 | CCCN(C(=O)OCc1ccc(C(N)=O)cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 44461817 | 204069 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 561 | 13 | 0 | 4 | 5.4 | CCCN(C(=O)Cc1ccccc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL83057 | 204069 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 561 | 13 | 0 | 4 | 5.4 | CCCN(C(=O)Cc1ccccc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 44461699 | 204163 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 591 | 13 | 0 | 5 | 6.3 | CCCN(C(=O)OCc1cccc(C)c1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL83823 | 204163 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 591 | 13 | 0 | 5 | 6.3 | CCCN(C(=O)OCc1cccc(C)c1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 68764925 | 120724 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 477 | 6 | 1 | 5 | 4.9 | CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | ||
| CHEMBL3577946 | 120724 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 477 | 6 | 1 | 5 | 4.9 | CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | ||
| 516328 | 127592 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 596 | 12 | 1 | 5 | 7.2 | CCCCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL366536 | 127592 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 596 | 12 | 1 | 5 | 7.2 | CCCCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| 516332 | 130151 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1ncc(Cc2ccccc2)c1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL368265 | 130151 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1ncc(Cc2ccccc2)c1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| 478450 | 85181 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 561 | 13 | 0 | 4 | 5.4 | CCCN(C(=O)Cc1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL2282500 | 85181 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 561 | 13 | 0 | 4 | 5.4 | CCCN(C(=O)Cc1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 44461275 | 104427 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 591 | 13 | 0 | 5 | 6.3 | CCCN(C(=O)OCc1ccc(C)cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL311261 | 104427 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 591 | 13 | 0 | 5 | 6.3 | CCCN(C(=O)OCc1ccc(C)cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 486606 | 203632 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 620 | 14 | 1 | 6 | 5.1 | CCCN(C(=O)OCc1ccc(C(N)=O)cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL79622 | 203632 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 620 | 14 | 1 | 6 | 5.1 | CCCN(C(=O)OCc1ccc(C(N)=O)cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 44461699 | 204163 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 591 | 13 | 0 | 5 | 6.3 | CCCN(C(=O)OCc1cccc(C)c1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL83823 | 204163 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 591 | 13 | 0 | 5 | 6.3 | CCCN(C(=O)OCc1cccc(C)c1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 49871007 | 58505 | 9 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 559 | 5 | 0 | 6 | 4.8 | CCO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/jm300682j | ||
| CHEMBL1688243 | 58505 | 9 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 559 | 5 | 0 | 6 | 4.8 | CCO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/jm300682j | ||
| 57395178 | 70701 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 620 | 11 | 0 | 6 | 5.0 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCN(c3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951894 | 70701 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 620 | 11 | 0 | 6 | 5.0 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCN(c3cccc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 11285792 | 866 | 30 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | ||
| 801 | 866 | 30 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | ||
| CHEMBL2110727 | 866 | 30 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | ||
| DB11758 | 866 | 30 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | ||
| 516184 | 59307 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 571 | 10 | 1 | 6 | 5.5 | CCn1nc(Cc2ccc(C#N)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL172004 | 59307 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 571 | 10 | 1 | 6 | 5.5 | CCn1nc(Cc2ccc(C#N)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 474161 | 11168 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 513 | 6 | 1 | 3 | 6.9 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCSCC4)cc2)CCO3)cc1 | 10.1021/jm9906264 | ||
| CHEMBL1179115 | 11168 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 513 | 6 | 1 | 3 | 6.9 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCSCC4)cc2)CCO3)cc1 | 10.1021/jm9906264 | ||
| CHEMBL61208 | 11168 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 513 | 6 | 1 | 3 | 6.9 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCSCC4)cc2)CCO3)cc1 | 10.1021/jm9906264 | ||
| 44564887 | 178959 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 425 | 8 | 1 | 5 | 4.6 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C(C)C)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL474154 | 178959 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 425 | 8 | 1 | 5 | 4.6 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C(C)C)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| 44590752 | 176324 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 491 | 10 | 1 | 4 | 5.5 | CCN(C(=O)OCc1ccccc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL461689 | 176324 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 491 | 10 | 1 | 4 | 5.5 | CCN(C(=O)OCc1ccccc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 44564886 | 189080 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 437 | 9 | 1 | 5 | 4.8 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)CC2CC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL515261 | 189080 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 437 | 9 | 1 | 5 | 4.8 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)CC2CC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| 44447734 | 94696 | 0 | None | - | 0 | Crab-eating macaque | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 523 | 5 | 0 | 5 | 6.1 | CC1(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CCN(C(=O)c2c(Cl)cncc2Cl)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL255644 | 94696 | 0 | None | - | 0 | Crab-eating macaque | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 523 | 5 | 0 | 5 | 6.1 | CC1(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CCN(C(=O)c2c(Cl)cncc2Cl)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 11577846 | 76767 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 581 | 8 | 0 | 4 | 5.4 | CC(=O)N1CCC(C(=O)N(CCCN2CCC([S+]([O-])c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL207654 | 76767 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 581 | 8 | 0 | 4 | 5.4 | CC(=O)N1CCC(C(=O)N(CCCN2CCC([S+]([O-])c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 516183 | 129682 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 682 | 10 | 1 | 5 | 7.7 | CCn1nc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL367901 | 129682 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 682 | 10 | 1 | 5 | 7.7 | CCn1nc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 3008929 | 193964 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 5 | 0 | 4 | 5.2 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL556314 | 193964 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 5 | 0 | 4 | 5.2 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 3013689 | 76688 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 583 | 9 | 0 | 4 | 5.5 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL207190 | 76688 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 583 | 9 | 0 | 4 | 5.5 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 474163 | 11932 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 483 | 8 | 1 | 2 | 7.2 | CCC(CC)[N+](C)(C)Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(C)cc4)ccc3OCC2)cc1 | 10.1021/jm9906264 | ||
| CHEMBL1183396 | 11932 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 483 | 8 | 1 | 2 | 7.2 | CCC(CC)[N+](C)(C)Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(C)cc4)ccc3OCC2)cc1 | 10.1021/jm9906264 | ||
| CHEMBL294788 | 11932 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 483 | 8 | 1 | 2 | 7.2 | CCC(CC)[N+](C)(C)Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(C)cc4)ccc3OCC2)cc1 | 10.1021/jm9906264 | ||
| 44590753 | 175780 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 511 | 9 | 1 | 4 | 6.1 | CCN(C(=O)Oc1ccc(Cl)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL459567 | 175780 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 511 | 9 | 1 | 4 | 6.1 | CCN(C(=O)Oc1ccc(Cl)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 3008929 | 193964 | 1 | None | - | 0 | Crab-eating macaque | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 5 | 0 | 4 | 5.2 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL556314 | 193964 | 1 | None | - | 0 | Crab-eating macaque | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 5 | 0 | 4 | 5.2 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 68767049 | 120721 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 4.9 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NCC)C1=O | 10.1021/ml500505q | ||
| CHEMBL3577942 | 120721 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 4.9 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NCC)C1=O | 10.1021/ml500505q | ||
| 44565557 | 178663 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ncccn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL472798 | 178663 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ncccn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44565557 | 178663 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ncccn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL472798 | 178663 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ncccn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 57393451 | 70722 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 671 | 11 | 0 | 6 | 4.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cccc(C(F)(F)F)c2)C2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951918 | 70722 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 671 | 11 | 0 | 6 | 4.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cccc(C(F)(F)F)c2)C2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 16659334 | 13891 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@@H]([C@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL1197042 | 13891 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@@H]([C@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL559168 | 13891 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@@H]([C@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| 44565557 | 178663 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ncccn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL472798 | 178663 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 505 | 8 | 1 | 6 | 4.4 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ncccn34)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 5275766 | 3681 | 33 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 552 | 9 | 1 | 4 | 4.7 | CC(=O)N1CCC(CC1)C(=O)N(c1ccc(c(c1)Cl)C)CCCN1CCC(CC1)Cc1ccc(cc1)C(=O)N | 10.1021/jm051034q | ||
| 800 | 3681 | 33 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 552 | 9 | 1 | 4 | 4.7 | CC(=O)N1CCC(CC1)C(=O)N(c1ccc(c(c1)Cl)C)CCCN1CCC(CC1)Cc1ccc(cc1)C(=O)N | 10.1021/jm051034q | ||
| CHEMBL207004 | 3681 | 33 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 552 | 9 | 1 | 4 | 4.7 | CC(=O)N1CCC(CC1)C(=O)N(c1ccc(c(c1)Cl)C)CCCN1CCC(CC1)Cc1ccc(cc1)C(=O)N | 10.1021/jm051034q | ||
| 516186 | 59727 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 624 | 11 | 1 | 7 | 5.0 | CCn1nc(Cc2ccc(S(C)(=O)=O)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL173630 | 59727 | 1 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 624 | 11 | 1 | 7 | 5.0 | CCn1nc(Cc2ccc(S(C)(=O)=O)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 44565674 | 178116 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 590 | 12 | 1 | 3 | 8.3 | C=C(Cc1ccccc1)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL468150 | 178116 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 590 | 12 | 1 | 3 | 8.3 | C=C(Cc1ccccc1)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 51039119 | 175643 | 29 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
| CHEMBL4594419 | 175643 | 29 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
| 44565674 | 178116 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 590 | 12 | 1 | 3 | 8.3 | C=C(Cc1ccccc1)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL468150 | 178116 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 590 | 12 | 1 | 3 | 8.3 | C=C(Cc1ccccc1)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44447732 | 154562 | 0 | None | - | 0 | Crab-eating macaque | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 504 | 5 | 0 | 4 | 6.5 | CC1(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CCN(C(=O)c2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL401929 | 154562 | 0 | None | - | 0 | Crab-eating macaque | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 504 | 5 | 0 | 4 | 6.5 | CC1(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CCN(C(=O)c2cccc3ccccc23)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 501044 | 4323 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 608 | 12 | 1 | 5 | 7.2 | O=C(OCc1ccccc1)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| CHEMBL101333 | 4323 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 608 | 12 | 1 | 5 | 7.2 | O=C(OCc1ccccc1)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| 44389412 | 62182 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 620 | 11 | 0 | 7 | 5.3 | CN(C[C@](C)(CCN1CCC2C(CCN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2004.12.044 | ||
| CHEMBL178189 | 62182 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 620 | 11 | 0 | 7 | 5.3 | CN(C[C@](C)(CCN1CCC2C(CCN2C(=O)OCc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2004.12.044 | ||
| 44590798 | 190399 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 495 | 9 | 1 | 4 | 5.5 | CCN(C(=O)Oc1ccc(F)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL518640 | 190399 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 495 | 9 | 1 | 4 | 5.5 | CCN(C(=O)Oc1ccc(F)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 44565721 | 188113 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 570 | 14 | 2 | 5 | 5.5 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(OCCO)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL504250 | 188113 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 570 | 14 | 2 | 5 | 5.5 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(OCCO)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44274022 | 98339 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 568 | 11 | 1 | 5 | 5.6 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC3(c4ccc(F)cc4)OCCO3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL278383 | 98339 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 568 | 11 | 1 | 5 | 5.6 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC3(c4ccc(F)cc4)OCCO3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| 44565721 | 188113 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 570 | 14 | 2 | 5 | 5.5 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(OCCO)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL504250 | 188113 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 570 | 14 | 2 | 5 | 5.5 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(OCCO)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44590684 | 175094 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 489 | 10 | 1 | 3 | 5.3 | CCN(C(=O)Cc1ccc(C)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL458157 | 175094 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 489 | 10 | 1 | 3 | 5.3 | CCN(C(=O)Cc1ccc(C)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 3010269 | 178525 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 501 | 9 | 1 | 5 | 5.3 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL471766 | 178525 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 501 | 9 | 1 | 5 | 5.3 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 72711508 | 92264 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 539 | 7 | 1 | 4 | 5.6 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)(C)C)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435905 | 92264 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 539 | 7 | 1 | 4 | 5.6 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)(C)C)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 5275765 | 137706 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 572 | 9 | 1 | 4 | 5.0 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C(N)=O)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL377026 | 137706 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 572 | 9 | 1 | 4 | 5.0 | CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C(N)=O)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 3010269 | 178525 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 501 | 9 | 1 | 5 | 5.3 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL471766 | 178525 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 501 | 9 | 1 | 5 | 5.3 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| 474169 | 11171 | 2 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 550 | 7 | 1 | 3 | 7.1 | C[N+](C)(Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(N5CCCC5)cc4)ccc3CCC2)cc1)C1CCOCC1 | 10.1021/jm9906264 | ||
| CHEMBL1179143 | 11171 | 2 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 550 | 7 | 1 | 3 | 7.1 | C[N+](C)(Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(N5CCCC5)cc4)ccc3CCC2)cc1)C1CCOCC1 | 10.1021/jm9906264 | ||
| CHEMBL62180 | 11171 | 2 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 550 | 7 | 1 | 3 | 7.1 | C[N+](C)(Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(N5CCCC5)cc4)ccc3CCC2)cc1)C1CCOCC1 | 10.1021/jm9906264 | ||
| 3010269 | 178525 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 501 | 9 | 1 | 5 | 5.3 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL471766 | 178525 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 501 | 9 | 1 | 5 | 5.3 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 505878 | 118683 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 518 | 10 | 1 | 5 | 5.5 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL343160 | 118683 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 518 | 10 | 1 | 5 | 5.5 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 11353001 | 58500 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 525 | 3 | 0 | 5 | 4.5 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN(C3CCc4cc(Br)ccc43)[C@@H](C)C2)CC1 | 10.1021/ml1001536 | ||
| CHEMBL1688239 | 58500 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 525 | 3 | 0 | 5 | 4.5 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN(C3CCc4cc(Br)ccc43)[C@@H](C)C2)CC1 | 10.1021/ml1001536 | ||
| 516305 | 78503 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 587 | 10 | 1 | 6 | 6.0 | CCn1nc(Cc2cccnc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL2112952 | 78503 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 587 | 10 | 1 | 6 | 6.0 | CCn1nc(Cc2cccnc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 44564929 | 178684 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 423 | 8 | 1 | 5 | 4.4 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL472953 | 178684 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 423 | 8 | 1 | 5 | 4.4 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| 478451 | 85182 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 577 | 14 | 0 | 5 | 5.3 | CCCN(C(=O)COc1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL2282501 | 85182 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 577 | 14 | 0 | 5 | 5.3 | CCCN(C(=O)COc1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 478444 | 170567 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 562 | 12 | 1 | 4 | 5.9 | CCCN(C(=O)Nc1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL445836 | 170567 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 562 | 12 | 1 | 4 | 5.9 | CCCN(C(=O)Nc1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 44461707 | 203951 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 577 | 13 | 0 | 5 | 6.0 | CCCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL82048 | 203951 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 577 | 13 | 0 | 5 | 6.0 | CCCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 501049 | 4268 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 532 | 10 | 1 | 5 | 5.7 | COC(=O)[C@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL100958 | 4268 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 532 | 10 | 1 | 5 | 5.7 | COC(=O)[C@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 501057 | 4682 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 478 | 7 | 1 | 3 | 5.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL103782 | 4682 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 478 | 7 | 1 | 3 | 5.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44374086 | 54696 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 438 | 5 | 0 | 3 | 6.0 | c1ccc(C2CCN(C[C@@H]3[C@@H](c4ccccc4)CN4O[C@H](c5ccccc5)C[C@@H]34)CC2)cc1 | 10.1016/s0960-894x(01)00835-6 | ||
| CHEMBL161594 | 54696 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 438 | 5 | 0 | 3 | 6.0 | c1ccc(C2CCN(C[C@@H]3[C@@H](c4ccccc4)CN4O[C@H](c5ccccc5)C[C@@H]34)CC2)cc1 | 10.1016/s0960-894x(01)00835-6 | ||
| 478307 | 105339 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 496 | 9 | 0 | 3 | 6.0 | CN(C[C@@H](CCN1CCC(c2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00652-7 | ||
| CHEMBL312701 | 105339 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 496 | 9 | 0 | 3 | 6.0 | CN(C[C@@H](CCN1CCC(c2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00652-7 | ||
| 25230828 | 172074 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 595 | 9 | 0 | 6 | 5.8 | CCCCC1C(=O)N(C[C@H]2CC[C@H](OCC)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| CHEMBL449621 | 172074 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 595 | 9 | 0 | 6 | 5.8 | CCCCC1C(=O)N(C[C@H]2CC[C@H](OCC)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| 44570269 | 177000 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 552 | 7 | 0 | 6 | 5.8 | CCCCC1C(=O)C(CC2CCOCC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| CHEMBL464054 | 177000 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 552 | 7 | 0 | 6 | 5.8 | CCCCC1C(=O)C(CC2CCOCC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| 46888564 | 8580 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 490 | 7 | 2 | 4 | 3.4 | Cc1cc(=O)[nH]c(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1095518 | 8580 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 490 | 7 | 2 | 4 | 3.4 | Cc1cc(=O)[nH]c(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 46888605 | 8953 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 547 | 8 | 1 | 5 | 4.1 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CC(F)(F)C3)c3cc(F)cc(F)c3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1098664 | 8953 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 547 | 8 | 1 | 5 | 4.1 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CC(F)(F)C3)c3cc(F)cc(F)c3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 44374086 | 54696 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 438 | 5 | 0 | 3 | 6.0 | c1ccc(C2CCN(C[C@@H]3[C@@H](c4ccccc4)CN4O[C@H](c5ccccc5)C[C@@H]34)CC2)cc1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL161594 | 54696 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 438 | 5 | 0 | 3 | 6.0 | c1ccc(C2CCN(C[C@@H]3[C@@H](c4ccccc4)CN4O[C@H](c5ccccc5)C[C@@H]34)CC2)cc1 | 10.1016/j.ejmech.2008.01.040 | ||
| 11433740 | 5721 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 537 | 7 | 0 | 4 | 6.6 | CCCCC1CN(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| CHEMBL1078753 | 5721 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 537 | 7 | 0 | 4 | 6.6 | CCCCC1CN(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| 54581479 | 60561 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 588 | 9 | 1 | 4 | 6.8 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762313 | 60561 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 588 | 9 | 1 | 4 | 6.8 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 54583460 | 60563 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 593 | 7 | 1 | 5 | 7.0 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C2(c3ccc(C(F)(F)F)cc3)Oc3ccccc3O2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762315 | 60563 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 593 | 7 | 1 | 5 | 7.0 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C2(c3ccc(C(F)(F)F)cc3)Oc3ccccc3O2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 11422270 | 60582 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 630 | 10 | 1 | 6 | 7.4 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2cccc(Cl)n2)c2ccc(OC(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762339 | 60582 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 630 | 10 | 1 | 6 | 7.4 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2cccc(Cl)n2)c2ccc(OC(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 11180743 | 60644 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 580 | 9 | 1 | 5 | 6.8 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2ccccn2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762464 | 60644 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 580 | 9 | 1 | 5 | 6.8 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2ccccn2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 46880775 | 6305 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 469 | 7 | 1 | 6 | 3.6 | Cc1nnc(C)n1[C@@H]1C[C@@H]2CN(CC[C@H](NC(=O)C3CCOCC3)c3cccc(F)c3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.01.080 | ||
| CHEMBL1082201 | 6305 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 469 | 7 | 1 | 6 | 3.6 | Cc1nnc(C)n1[C@@H]1C[C@@H]2CN(CC[C@H](NC(=O)C3CCOCC3)c3cccc(F)c3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.01.080 | ||
| 11844212 | 98196 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 590 | 7 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| CHEMBL277279 | 98196 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 590 | 7 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| 52947038 | 18071 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 541 | 8 | 0 | 6 | 2.8 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3cccc(F)c3)C3CN(S(=O)(=O)C4CC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| CHEMBL1270303 | 18071 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 541 | 8 | 0 | 6 | 2.8 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3cccc(F)c3)C3CN(S(=O)(=O)C4CC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| 478307 | 105339 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 496 | 9 | 0 | 3 | 6.0 | CN(C[C@@H](CCN1CCC(c2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| CHEMBL312701 | 105339 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 496 | 9 | 0 | 3 | 6.0 | CN(C[C@@H](CCN1CCC(c2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| 44461561 | 203666 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 529 | 10 | 0 | 5 | 5.2 | CCN(C(=O)OC(C)(C)C)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL79930 | 203666 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 529 | 10 | 0 | 5 | 5.2 | CCN(C(=O)OC(C)(C)C)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 478307 | 105339 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 496 | 9 | 0 | 3 | 6.0 | CN(C[C@@H](CCN1CCC(c2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL312701 | 105339 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 496 | 9 | 0 | 3 | 6.0 | CN(C[C@@H](CCN1CCC(c2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 478302 | 205013 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 538 | 8 | 0 | 5 | 4.3 | CN(CC(CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL89958 | 205013 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 538 | 8 | 0 | 5 | 4.3 | CN(CC(CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 44461561 | 203666 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 529 | 10 | 0 | 5 | 5.2 | CCN(C(=O)OC(C)(C)C)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL79930 | 203666 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 529 | 10 | 0 | 5 | 5.2 | CCN(C(=O)OC(C)(C)C)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 25057877 | 5701 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 509 | 6 | 0 | 4 | 5.9 | CCCC1N(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| CHEMBL1078648 | 5701 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 509 | 6 | 0 | 4 | 5.9 | CCCC1N(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| 482150 | 112240 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 506 | 9 | 0 | 5 | 5.1 | CN(C[C@@H](CCN1CCC(c2ccccc2)CC1)c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL330486 | 112240 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 506 | 9 | 0 | 5 | 5.1 | CN(C[C@@H](CCN1CCC(c2ccccc2)CC1)c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 479867 | 205144 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 530 | 9 | 0 | 3 | 6.7 | CN(CC(CCN1CCC(c2ccccc2)CC1)c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL90691 | 205144 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 530 | 9 | 0 | 3 | 6.7 | CN(CC(CCN1CCC(c2ccccc2)CC1)c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 479857 | 162956 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 496 | 9 | 0 | 3 | 6.0 | CN(CC(CCN1CCC(c2ccccc2)CC1)c1ccccc1Cl)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL420242 | 162956 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 496 | 9 | 0 | 3 | 6.0 | CN(CC(CCN1CCC(c2ccccc2)CC1)c1ccccc1Cl)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 65237 | 137099 | 97 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccc2ccc3ccc(C)nc3c2n1 | 10.1021/jm301121j | ||
| CHEMBL375781 | 137099 | 97 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccc2ccc3ccc(C)nc3c2n1 | 10.1021/jm301121j | ||
| 72711051 | 92255 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 610 | 8 | 1 | 5 | 5.6 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccc(Br)cc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435896 | 92255 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 610 | 8 | 1 | 5 | 5.6 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccc(Br)cc2)CC1 | 10.1021/jm401101p | ||
| 44431946 | 87684 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 436 | 7 | 1 | 3 | 5.3 | CCNC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL234674 | 87684 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 436 | 7 | 1 | 3 | 5.3 | CCNC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| 49768639 | 89149 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 591 | 7 | 1 | 6 | 5.2 | CCCCC1C(=O)N(C[C@H]2CC[C@H](O)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)cc(C#N)nc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| CHEMBL2374447 | 89149 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 591 | 7 | 1 | 6 | 5.2 | CCCCC1C(=O)N(C[C@H]2CC[C@H](O)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)cc(C#N)nc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| 72714320 | 92249 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 546 | 8 | 1 | 5 | 5.2 | Cc1cccc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 | 10.1021/jm401101p | ||
| CHEMBL2435890 | 92249 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 546 | 8 | 1 | 5 | 5.2 | Cc1cccc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 | 10.1021/jm401101p | ||
| 44455223 | 94889 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 492 | 8 | 1 | 5 | 5.8 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)NC1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| CHEMBL256584 | 94889 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 492 | 8 | 1 | 5 | 5.8 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)NC1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| 490007 | 167282 | 2 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 503 | 7 | 0 | 4 | 5.3 | COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(C(=O)c3ccccc3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL430905 | 167282 | 2 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 503 | 7 | 0 | 4 | 5.3 | COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(C(=O)c3ccccc3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| 54584058 | 62553 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 568 | 6 | 0 | 4 | 7.1 | Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccc(F)c(F)c2)CC1 | 10.1021/jm200279v | ||
| CHEMBL1784480 | 62553 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 568 | 6 | 0 | 4 | 7.1 | Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccc(F)c(F)c2)CC1 | 10.1021/jm200279v | ||
| 6320579 | 121666 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 547 | 10 | 0 | 5 | 5.1 | CN(C[C@@H](CCN1CCC(N2C[C@@H](c3ccccc3)OC2=O)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2004.12.044 | ||
| CHEMBL359752 | 121666 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 547 | 10 | 0 | 5 | 5.1 | CN(C[C@@H](CCN1CCC(N2C[C@@H](c3ccccc3)OC2=O)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2004.12.044 | ||
| 44392142 | 64936 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 524 | 10 | 0 | 3 | 6.7 | CCN(C(=O)Cc1ccc(OC(F)(F)F)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL182817 | 64936 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 524 | 10 | 0 | 3 | 6.7 | CCN(C(=O)Cc1ccc(OC(F)(F)F)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 44392149 | 65027 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 497 | 10 | 0 | 4 | 5.8 | O=C(Cc1ccc([N+](=O)[O-])cc1)N(C1CC1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL182929 | 65027 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 497 | 10 | 0 | 4 | 5.8 | O=C(Cc1ccc([N+](=O)[O-])cc1)N(C1CC1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 44404605 | 72234 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 536 | 10 | 0 | 4 | 5.3 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL199258 | 72234 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 536 | 10 | 0 | 4 | 5.3 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 44455225 | 94933 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 477 | 8 | 0 | 5 | 5.9 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)C1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| CHEMBL256792 | 94933 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 477 | 8 | 0 | 5 | 5.9 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)C1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| 16728632 | 91142 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 370 | 5 | 3 | 3 | 4.0 | N=C(N)N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL240641 | 91142 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 370 | 5 | 3 | 3 | 4.0 | N=C(N)N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 44431946 | 87684 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 436 | 7 | 1 | 3 | 5.3 | CCNC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL234674 | 87684 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 436 | 7 | 1 | 3 | 5.3 | CCNC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| 53321482 | 58153 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683064 | 58153 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 44590738 | 175184 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 494 | 5 | 0 | 4 | 5.2 | Cc1ccnc(C)c1C(=O)N1CCC(N2CC3CCC(C2)N3C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.012 | ||
| CHEMBL458351 | 175184 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 494 | 5 | 0 | 4 | 5.2 | Cc1ccnc(C)c1C(=O)N1CCC(N2CC3CCC(C2)N3C(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.012 | ||
| 52944644 | 18057 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 523 | 8 | 0 | 6 | 2.7 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CN(S(=O)(=O)C4CC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| CHEMBL1270209 | 18057 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 523 | 8 | 0 | 6 | 2.7 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CN(S(=O)(=O)C4CC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| 72714319 | 92248 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 566 | 8 | 1 | 5 | 5.5 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccccc2Cl)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435889 | 92248 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 566 | 8 | 1 | 5 | 5.5 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccccc2Cl)CC1 | 10.1021/jm401101p | ||
| 44564985 | 186504 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 413 | 7 | 1 | 6 | 4.2 | COC(=O)N[C@@H](CC(C)N1CCC(n2c(C)nnc2C(C)C)CC1)c1ccccc1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL491328 | 186504 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 413 | 7 | 1 | 6 | 4.2 | COC(=O)N[C@@H](CC(C)N1CCC(n2c(C)nnc2C(C)C)CC1)c1ccccc1 | 10.1016/j.bmcl.2009.01.008 | ||
| 65237 | 137099 | 97 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccc2ccc3ccc(C)nc3c2n1 | 10.1021/jm301121j | ||
| CHEMBL375781 | 137099 | 97 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccc2ccc3ccc(C)nc3c2n1 | 10.1021/jm301121j | ||
| 76330769 | 85166 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 592 | 8 | 3 | 3 | 7.2 | O=C(NCC1(O)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)Nc1c(F)cccc1F | 10.1007/s00044-012-0118-7 | ||
| CHEMBL2281963 | 85166 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 592 | 8 | 3 | 3 | 7.2 | O=C(NCC1(O)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)Nc1c(F)cccc1F | 10.1007/s00044-012-0118-7 | ||
| 489344 | 5378 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 681 | 13 | 2 | 5 | 6.9 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CCC(C)(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2cccc(Cl)c2)CC1 | 10.1016/s0960-894x(01)00654-0 | ||
| CHEMBL107439 | 5378 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 681 | 13 | 2 | 5 | 6.9 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CCC(C)(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2cccc(Cl)c2)CC1 | 10.1016/s0960-894x(01)00654-0 | ||
| 25206397 | 7033 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 630 | 6 | 1 | 6 | 4.1 | CNC(=O)N1CCC(CN2C[C@@H](c3ccccc3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)ncnc5C)CC4)CC3)C2=O)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| CHEMBL1085221 | 7033 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 630 | 6 | 1 | 6 | 4.1 | CNC(=O)N1CCC(CN2C[C@@H](c3ccccc3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)ncnc5C)CC4)CC3)C2=O)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| 44392137 | 64519 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 530 | 10 | 0 | 4 | 5.3 | CS(=O)(=O)c1ccc(CC(=O)N(C2CC2)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL182074 | 64519 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 530 | 10 | 0 | 4 | 5.3 | CS(=O)(=O)c1ccc(CC(=O)N(C2CC2)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2005.08.014 | ||
| 72711278 | 92257 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 564 | 8 | 1 | 5 | 5.3 | Cc1cc(F)cc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 | 10.1021/jm401101p | ||
| CHEMBL2435898 | 92257 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 564 | 8 | 1 | 5 | 5.3 | Cc1cc(F)cc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 | 10.1021/jm401101p | ||
| 16073669 | 79452 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 632 | 11 | 0 | 6 | 4.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)ccc2F)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| CHEMBL212243 | 79452 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 632 | 11 | 0 | 6 | 4.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)ccc2F)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| 489818 | 110941 | 2 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 482 | 6 | 0 | 4 | 5.2 | COC(=O)c1ccccc1C(=O)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL327392 | 110941 | 2 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 482 | 6 | 0 | 4 | 5.2 | COC(=O)c1ccccc1C(=O)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| 44392213 | 165600 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 455 | 8 | 1 | 2 | 6.5 | CCN(C(=O)Nc1ccc(C)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL426250 | 165600 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 455 | 8 | 1 | 2 | 6.5 | CCN(C(=O)Nc1ccc(C)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 44573097 | 192502 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 506 | 6 | 0 | 6 | 5.9 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(c2ncccn2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL522669 | 192502 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 506 | 6 | 0 | 6 | 5.9 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(c2ncccn2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 44431971 | 88370 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 593 | 8 | 3 | 4 | 6.1 | O=C(NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)Nc1c(F)cccc1F | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL236421 | 88370 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 593 | 8 | 3 | 4 | 6.1 | O=C(NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)Nc1c(F)cccc1F | 10.1016/j.bmcl.2007.01.050 | ||
| 474153 | 11188 | 2 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 431 | 5 | 1 | 1 | 6.0 | Cc1cccc[n+]1Cc1ccc(NC(=O)C2=Cc3cc(-c4ccccc4)ccc3CC2)cc1 | 10.1021/jm9906264 | ||
| CHEMBL1179232 | 11188 | 2 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 431 | 5 | 1 | 1 | 6.0 | Cc1cccc[n+]1Cc1ccc(NC(=O)C2=Cc3cc(-c4ccccc4)ccc3CC2)cc1 | 10.1021/jm9906264 | ||
| CHEMBL65605 | 11188 | 2 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 431 | 5 | 1 | 1 | 6.0 | Cc1cccc[n+]1Cc1ccc(NC(=O)C2=Cc3cc(-c4ccccc4)ccc3CC2)cc1 | 10.1021/jm9906264 | ||
| 6480206 | 183778 | 1 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 370 | 1 | 1 | 2 | 5.7 | C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)C[C@@]5(O)OC/C(=C/C[C@H]3[C@H]12)[C@@H]45 | 10.1021/np049844c | ||
| CHEMBL484427 | 183778 | 1 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 370 | 1 | 1 | 2 | 5.7 | C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)C[C@@]5(O)OC/C(=C/C[C@H]3[C@H]12)[C@@H]45 | 10.1021/np049844c | ||
| 66767933 | 120712 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 531 | 12 | 6 | 5 | 3.2 | CCC[C@H](O)[C@H](CNCC(C)(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
| CHEMBL3577933 | 120712 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 531 | 12 | 6 | 5 | 3.2 | CCC[C@H](O)[C@H](CNCC(C)(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
| 44455106 | 97491 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 500 | 9 | 1 | 5 | 5.7 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)NCc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| CHEMBL272581 | 97491 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 500 | 9 | 1 | 5 | 5.7 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)NCc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| 155540798 | 172366 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)cc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4516788 | 172366 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)cc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 44373768 | 193190 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 430 | 4 | 0 | 3 | 6.0 | c1ccc(C2CCN(C[C@@H]3[C@@H](c4ccccc4)CN4OC5(CCCCC5)C[C@@H]34)CC2)cc1 | 10.1016/s0960-894x(01)00835-6 | ||
| CHEMBL539943 | 193190 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 430 | 4 | 0 | 3 | 6.0 | c1ccc(C2CCN(C[C@@H]3[C@@H](c4ccccc4)CN4OC5(CCCCC5)C[C@@H]34)CC2)cc1 | 10.1016/s0960-894x(01)00835-6 | ||
| 46890346 | 7042 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 612 | 6 | 1 | 6 | 5.1 | Cc1cc(C#N)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C[C@H]4CC[C@H](O)CC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| CHEMBL1085232 | 7042 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 612 | 6 | 1 | 6 | 5.1 | Cc1cc(C#N)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C[C@H]4CC[C@H](O)CC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| 44392125 | 131275 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 531 | 10 | 1 | 4 | 4.6 | NS(=O)(=O)c1ccc(CC(=O)N(C2CC2)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL369352 | 131275 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 531 | 10 | 1 | 4 | 4.6 | NS(=O)(=O)c1ccc(CC(=O)N(C2CC2)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.10.044 | ||
| 44373768 | 193190 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 430 | 4 | 0 | 3 | 6.0 | c1ccc(C2CCN(C[C@@H]3[C@@H](c4ccccc4)CN4OC5(CCCCC5)C[C@@H]34)CC2)cc1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL539943 | 193190 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 430 | 4 | 0 | 3 | 6.0 | c1ccc(C2CCN(C[C@@H]3[C@@H](c4ccccc4)CN4OC5(CCCCC5)C[C@@H]34)CC2)cc1 | 10.1016/j.ejmech.2008.01.040 | ||
| 516331 | 59973 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 598 | 11 | 2 | 6 | 5.5 | O=C(O)Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL174283 | 59973 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 598 | 11 | 2 | 6 | 5.5 | O=C(O)Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| 489823 | 111883 | 2 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 414 | 5 | 0 | 3 | 5.0 | O=C(c1ccoc1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL329555 | 111883 | 2 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 414 | 5 | 0 | 3 | 5.0 | O=C(c1ccoc1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| 44373768 | 193190 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 430 | 4 | 0 | 3 | 6.0 | c1ccc(C2CCN(C[C@@H]3[C@@H](c4ccccc4)CN4OC5(CCCCC5)C[C@@H]34)CC2)cc1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL539943 | 193190 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 430 | 4 | 0 | 3 | 6.0 | c1ccc(C2CCN(C[C@@H]3[C@@H](c4ccccc4)CN4OC5(CCCCC5)C[C@@H]34)CC2)cc1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44590801 | 175629 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 529 | 9 | 1 | 3 | 6.4 | CCN(C(=O)c1ccc(Cl)c(Cl)c1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL459378 | 175629 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 529 | 9 | 1 | 3 | 6.4 | CCN(C(=O)c1ccc(Cl)c(Cl)c1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 72712160 | 92228 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 495 | 6 | 0 | 4 | 5.9 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3ncccn3)cc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435869 | 92228 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 495 | 6 | 0 | 4 | 5.9 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3ncccn3)cc2)CC1 | 10.1021/jm401101p | ||
| 483333 | 5008 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 595 | 13 | 0 | 9 | 5.7 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(Cn2nnnc2-c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| CHEMBL105460 | 5008 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 595 | 13 | 0 | 9 | 5.7 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(Cn2nnnc2-c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| 72712373 | 92232 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 6 | 0 | 4 | 5.3 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435873 | 92232 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 502 | 6 | 0 | 4 | 5.3 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 | 10.1021/jm401101p | ||
| 3011722 | 70707 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 539 | 10 | 0 | 5 | 4.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCC(C)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951900 | 70707 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 539 | 10 | 0 | 5 | 4.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCC(C)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 54585385 | 60559 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 513 | 7 | 2 | 4 | 5.1 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(O)c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762311 | 60559 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 513 | 7 | 2 | 4 | 5.1 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(O)c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 5481748 | 111062 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 640 | 8 | 0 | 4 | 7.1 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL328024 | 111062 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 640 | 8 | 0 | 4 | 7.1 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 | 10.1007/s00044-011-9863-2 | ||
| 5481713 | 204056 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 536 | 8 | 0 | 4 | 5.8 | CN(C[C@@H](CCN1CCC2(CC1)CC(=O)c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL82880 | 204056 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 536 | 8 | 0 | 4 | 5.8 | CN(C[C@@H](CCN1CCC2(CC1)CC(=O)c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| 162648673 | 179370 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 522 | 6 | 3 | 7 | 3.4 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(OC(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4746510 | 179370 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 522 | 6 | 3 | 7 | 3.4 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(OC(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| 25206227 | 7032 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 651 | 7 | 0 | 7 | 3.7 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CC4CCN(S(C)(=O)=O)CC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| CHEMBL1085220 | 7032 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 651 | 7 | 0 | 7 | 3.7 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CC4CCN(S(C)(=O)=O)CC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| 46888606 | 8954 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 536 | 8 | 1 | 6 | 3.7 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CC(F)(F)C3)c3cccc(C#N)c3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1098665 | 8954 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 536 | 8 | 1 | 6 | 3.7 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CC(F)(F)C3)c3cccc(C#N)c3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 46882081 | 5539 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 608 | 9 | 0 | 6 | 6.2 | CCCC[C@H]1CN(C[C@H]2CC[C@H](OCC)CC2)C(=O)OC12CCN(C1C[C@@H]3CN(C(=O)c4c(C)ccnc4C)C[C@@H]3C1)CC2 | 10.1016/j.bmcl.2010.02.004 | ||
| CHEMBL1077363 | 5539 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 608 | 9 | 0 | 6 | 6.2 | CCCC[C@H]1CN(C[C@H]2CC[C@H](OCC)CC2)C(=O)OC12CCN(C1C[C@@H]3CN(C(=O)c4c(C)ccnc4C)C[C@@H]3C1)CC2 | 10.1016/j.bmcl.2010.02.004 | ||
| 52945332 | 18102 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 529 | 7 | 0 | 5 | 4.5 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(CC(F)(F)F)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| CHEMBL1270493 | 18102 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 529 | 7 | 0 | 5 | 4.5 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(CC(F)(F)F)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| 489824 | 205509 | 2 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 430 | 5 | 0 | 2 | 5.7 | O=C(C1CCCCC1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL92861 | 205509 | 2 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 430 | 5 | 0 | 2 | 5.7 | O=C(C1CCCCC1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| 72711049 | 92253 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 557 | 8 | 1 | 6 | 4.8 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(C#N)c2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435894 | 92253 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 557 | 8 | 1 | 6 | 4.8 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(C#N)c2)CC1 | 10.1021/jm401101p | ||
| 53322810 | 58164 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683075 | 58164 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 76308986 | 85172 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 640 | 10 | 3 | 3 | 9.2 | CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL2281969 | 85172 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 640 | 10 | 3 | 3 | 9.2 | CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| 478512 | 106055 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 594 | 8 | 0 | 6 | 4.7 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cn(C)cn1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL314077 | 106055 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 594 | 8 | 0 | 6 | 4.7 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cn(C)cn1 | 10.1016/s0960-894x(00)00637-5 | ||
| 478493 | 205066 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 557 | 8 | 0 | 4 | 4.4 | CN(C)S(=O)(=O)N(C)C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL90272 | 205066 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 557 | 8 | 0 | 4 | 4.4 | CN(C)S(=O)(=O)N(C)C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00637-5 | ||
| 44392219 | 64569 | 4 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 392 | 8 | 0 | 2 | 5.2 | CC(C)CC(=O)N(C)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL182234 | 64569 | 4 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 392 | 8 | 0 | 2 | 5.2 | CC(C)CC(=O)N(C)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 16728631 | 91141 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 320 | 5 | 3 | 3 | 2.9 | N=C(N)N/N=C/c1cc(F)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL240640 | 91141 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 320 | 5 | 3 | 3 | 2.9 | N=C(N)N/N=C/c1cc(F)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 16728631 | 91141 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 320 | 5 | 3 | 3 | 2.9 | N=C(N)N/N=C/c1cc(F)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL240640 | 91141 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 320 | 5 | 3 | 3 | 2.9 | N=C(N)N/N=C/c1cc(F)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| 72714318 | 92247 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 550 | 8 | 1 | 5 | 5.0 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccccc2F)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435888 | 92247 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 550 | 8 | 1 | 5 | 5.0 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccccc2F)CC1 | 10.1021/jm401101p | ||
| 72711050 | 92254 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 590 | 9 | 1 | 7 | 4.7 | COC(=O)c1cccc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 | 10.1021/jm401101p | ||
| CHEMBL2435895 | 92254 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 590 | 9 | 1 | 7 | 4.7 | COC(=O)c1cccc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 | 10.1021/jm401101p | ||
| 25130569 | 187726 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 596 | 7 | 1 | 6 | 5.2 | O=C(c1ccco1)N1CCC(OCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm800598a | ||
| CHEMBL500523 | 187726 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 596 | 7 | 1 | 6 | 5.2 | O=C(c1ccco1)N1CCC(OCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm800598a | ||
| 155529593 | 170889 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 518 | 7 | 2 | 5 | 2.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](NS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
| CHEMBL4463290 | 170889 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 518 | 7 | 2 | 5 | 2.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](NS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
| 25230896 | 187673 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 569 | 6 | 0 | 7 | 5.0 | CCCCC1CN(C(=O)OC2CCOCC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| CHEMBL499729 | 187673 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 569 | 6 | 0 | 7 | 5.0 | CCCCC1CN(C(=O)OC2CCOCC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| 44431954 | 86571 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 477 | 6 | 1 | 4 | 4.6 | Clc1ccc(COc2ccc(Br)cc2CN2CCC(N3CCNCC3)CC2)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL232409 | 86571 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 477 | 6 | 1 | 4 | 4.6 | Clc1ccc(COc2ccc(Br)cc2CN2CCC(N3CCNCC3)CC2)cc1 | 10.1007/s00044-012-0118-7 | ||
| 11326950 | 87234 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 395 | 5 | 1 | 3 | 4.2 | OC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL233638 | 87234 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 395 | 5 | 1 | 3 | 4.2 | OC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1 | 10.1007/s00044-012-0118-7 | ||
| 5482456 | 203603 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 511 | 9 | 0 | 4 | 5.3 | Cc1ccccc1N1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL79369 | 203603 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 511 | 9 | 0 | 4 | 5.3 | Cc1ccccc1N1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1007/s00044-011-9863-2 | ||
| 478503 | 204466 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 620 | 9 | 0 | 5 | 6.0 | COc1ccc(S(=O)(=O)N(C)C[C@@H](CCN2CCC3(CC2)C[S+]([O-])c2ccccc23)c2ccc(Cl)c(Cl)c2)cc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL86419 | 204466 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 620 | 9 | 0 | 5 | 6.0 | COc1ccc(S(=O)(=O)N(C)C[C@@H](CCN2CCC3(CC2)C[S+]([O-])c2ccccc23)c2ccc(Cl)c(Cl)c2)cc1 | 10.1007/s00044-011-9863-2 | ||
| 478500 | 205127 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 624 | 8 | 0 | 4 | 6.6 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL90620 | 205127 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 624 | 8 | 0 | 4 | 6.6 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 | 10.1007/s00044-011-9863-2 | ||
| 44570177 | 190825 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 498 | 5 | 1 | 5 | 4.0 | CCCC[C@H]1CN(C(=O)NC)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| CHEMBL519278 | 190825 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 498 | 5 | 1 | 5 | 4.0 | CCCC[C@H]1CN(C(=O)NC)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| 471179 | 203615 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 590 | 8 | 0 | 4 | 5.9 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00654-0 | ||
| CHEMBL79504 | 203615 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 590 | 8 | 0 | 4 | 5.9 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00654-0 | ||
| 5481702 | 204109 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00655-2 | ||
| CHEMBL83338 | 204109 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00655-2 | ||
| 471179 | 203615 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 590 | 8 | 0 | 4 | 5.9 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL79504 | 203615 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 590 | 8 | 0 | 4 | 5.9 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00637-5 | ||
| 44392235 | 65057 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 469 | 9 | 1 | 2 | 6.2 | CCN(C(=O)NCc1cccc(C)c1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL182940 | 65057 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 469 | 9 | 1 | 2 | 6.2 | CCN(C(=O)NCc1cccc(C)c1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 44431984 | 146346 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 641 | 10 | 3 | 4 | 8.1 | CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL392536 | 146346 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 641 | 10 | 3 | 4 | 8.1 | CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| 46864993 | 6184 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 455 | 7 | 1 | 6 | 3.2 | Cc1nnc(C)n1[C@H]1C[C@@H]2CN(CC[C@H](NC(=O)C3CCOC3)c3cccc(F)c3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.01.080 | ||
| CHEMBL1081625 | 6184 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 455 | 7 | 1 | 6 | 3.2 | Cc1nnc(C)n1[C@H]1C[C@@H]2CN(CC[C@H](NC(=O)C3CCOC3)c3cccc(F)c3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.01.080 | ||
| 44461603 | 105475 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 569 | 12 | 0 | 5 | 6.0 | CCOC(=O)N(CC1CCCCC1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL312945 | 105475 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 569 | 12 | 0 | 5 | 6.0 | CCOC(=O)N(CC1CCCCC1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 471179 | 203615 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 590 | 8 | 0 | 4 | 5.9 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| 471179 | 203615 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 590 | 8 | 0 | 4 | 5.9 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL79504 | 203615 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 590 | 8 | 0 | 4 | 5.9 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| CHEMBL79504 | 203615 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 590 | 8 | 0 | 4 | 5.9 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00492-9 | ||
| 44461494 | 203914 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 522 | 8 | 0 | 4 | 4.6 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL81719 | 203914 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 522 | 8 | 0 | 4 | 4.6 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00492-9 | ||
| 5482453 | 204106 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 551 | 8 | 1 | 4 | 4.9 | CN(C[C@@H](CCN1CCC2(CC1)CNC(=O)c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| CHEMBL83311 | 204106 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 551 | 8 | 1 | 4 | 4.9 | CN(C[C@@H](CCN1CCC2(CC1)CNC(=O)c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| 5482454 | 204139 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 551 | 8 | 1 | 4 | 5.5 | CN(C[C@@H](CCN1CCC2(CC1)CC(=O)Nc1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| CHEMBL83683 | 204139 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 551 | 8 | 1 | 4 | 5.5 | CN(C[C@@H](CCN1CCC2(CC1)CC(=O)Nc1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| 478296 | 157378 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 522 | 8 | 0 | 4 | 4.6 | CN(CC(CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL408438 | 157378 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 522 | 8 | 0 | 4 | 4.6 | CN(CC(CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 471179 | 203615 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 590 | 8 | 0 | 4 | 5.9 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL79504 | 203615 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 590 | 8 | 0 | 4 | 5.9 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 25132254 | 102809 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 532 | 6 | 0 | 4 | 6.8 | Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm800598a | ||
| CHEMBL3084492 | 102809 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 532 | 6 | 0 | 4 | 6.8 | Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm800598a | ||
| 501058 | 109194 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 438 | 7 | 1 | 3 | 4.8 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL322693 | 109194 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 438 | 7 | 1 | 3 | 4.8 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44392162 | 64522 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 536 | 11 | 0 | 3 | 6.8 | C=CCN(C(=O)Cc1ccc(OC(F)(F)F)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL182083 | 64522 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 536 | 11 | 0 | 3 | 6.8 | C=CCN(C(=O)Cc1ccc(OC(F)(F)F)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 44431954 | 86571 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 477 | 6 | 1 | 4 | 4.6 | Clc1ccc(COc2ccc(Br)cc2CN2CCC(N3CCNCC3)CC2)cc1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL232409 | 86571 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 477 | 6 | 1 | 4 | 4.6 | Clc1ccc(COc2ccc(Br)cc2CN2CCC(N3CCNCC3)CC2)cc1 | 10.1016/j.bmcl.2007.01.050 | ||
| 11326950 | 87234 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 395 | 5 | 1 | 3 | 4.2 | OC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL233638 | 87234 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 395 | 5 | 1 | 3 | 4.2 | OC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2007.01.050 | ||
| 5275833 | 121633 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 561 | 10 | 0 | 5 | 5.5 | C[C@@H]1[C@@H](c2ccccc2)OC(=O)N1C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.12.044 | ||
| CHEMBL359687 | 121633 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 561 | 10 | 0 | 5 | 5.5 | C[C@@H]1[C@@H](c2ccccc2)OC(=O)N1C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.12.044 | ||
| 489597 | 99199 | 2 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 520 | 5 | 0 | 4 | 4.2 | O=S(=O)(c1ccccc1)N1C[C@H](c2ccccc2)[C@H](CN2CCC3(CC2)C[S+]([O-])c2ccccc23)C1 | 10.1016/s0960-894x(01)00232-3 | ||
| CHEMBL284380 | 99199 | 2 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 520 | 5 | 0 | 4 | 4.2 | O=S(=O)(c1ccccc1)N1C[C@H](c2ccccc2)[C@H](CN2CCC3(CC2)C[S+]([O-])c2ccccc23)C1 | 10.1016/s0960-894x(01)00232-3 | ||
| 44392083 | 65533 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 532 | 11 | 0 | 3 | 7.0 | CN(C(=O)Cc1ccc(OCc2ccccc2)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL183554 | 65533 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 532 | 11 | 0 | 3 | 7.0 | CN(C(=O)Cc1ccc(OCc2ccccc2)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 483363 | 14510 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 619 | 14 | 0 | 7 | 6.6 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@@H](C[C@H](C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| CHEMBL120569 | 14510 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 619 | 14 | 0 | 7 | 6.6 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@@H](C[C@H](C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| 478387 | 204926 | 1 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 596 | 8 | 0 | 5 | 6.0 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL89279 | 204926 | 1 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 596 | 8 | 0 | 5 | 6.0 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 | 10.1007/s00044-011-9863-2 | ||
| 501058 | 109194 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 438 | 7 | 1 | 3 | 4.8 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL322693 | 109194 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 438 | 7 | 1 | 3 | 4.8 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 501058 | 109194 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 438 | 7 | 1 | 3 | 4.8 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| CHEMBL322693 | 109194 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 438 | 7 | 1 | 3 | 4.8 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| 72711277 | 92256 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 560 | 8 | 1 | 5 | 5.5 | Cc1cc(C)cc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 | 10.1021/jm401101p | ||
| CHEMBL2435897 | 92256 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 560 | 8 | 1 | 5 | 5.5 | Cc1cc(C)cc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 | 10.1021/jm401101p | ||
| 5275832 | 62288 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 561 | 10 | 0 | 5 | 5.5 | C[C@H]1[C@@H](c2ccccc2)OC(=O)N1C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.12.044 | ||
| CHEMBL178337 | 62288 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 561 | 10 | 0 | 5 | 5.5 | C[C@H]1[C@@H](c2ccccc2)OC(=O)N1C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.12.044 | ||
| 76324826 | 104310 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 576 | 18 | 1 | 6 | 7.9 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)CCCCCCCCCCN=[N+]=[N-])c1ccccc1 | 10.1021/ml400370w | ||
| CHEMBL3109177 | 104310 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 576 | 18 | 1 | 6 | 7.9 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)CCCCCCCCCCN=[N+]=[N-])c1ccccc1 | 10.1021/ml400370w | ||
| 5481747 | 111063 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 640 | 8 | 0 | 4 | 7.1 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc2ccccc12 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL328025 | 111063 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 640 | 8 | 0 | 4 | 7.1 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc2ccccc12 | 10.1016/s0960-894x(00)00637-5 | ||
| 44392082 | 65532 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 460 | 8 | 0 | 2 | 6.0 | CN(C(=O)Cc1ccccc1Cl)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL183553 | 65532 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 460 | 8 | 0 | 2 | 6.0 | CN(C(=O)Cc1ccccc1Cl)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 56750906 | 122481 | 6 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 3.8 | c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 | 10.1021/acsmedchemlett.5b00036 | ||
| CHEMBL3608763 | 122481 | 6 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 3.8 | c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccncc3)CC2)cc1 | 10.1021/acsmedchemlett.5b00036 | ||
| 3011719 | 70699 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 540 | 10 | 0 | 6 | 3.3 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCN(C)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951892 | 70699 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 540 | 10 | 0 | 6 | 3.3 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCN(C)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 76319891 | 85174 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 382 | 5 | 3 | 3 | 3.1 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc(F)c(F)c1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL2281970 | 85174 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 382 | 5 | 3 | 3 | 3.1 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc(F)c(F)c1 | 10.1007/s00044-012-0118-7 | ||
| 44570268 | 187857 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 581 | 8 | 0 | 6 | 5.4 | CCCCC1C(=O)N(C[C@H]2CC[C@H](OC)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| CHEMBL502432 | 187857 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 581 | 8 | 0 | 6 | 5.4 | CCCCC1C(=O)N(C[C@H]2CC[C@H](OC)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| 11421221 | 63432 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 530 | 11 | 0 | 4 | 5.3 | C=CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL180155 | 63432 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 530 | 11 | 0 | 4 | 5.3 | C=CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 18442936 | 70712 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 567 | 10 | 0 | 5 | 4.4 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)C2CCN(C(C)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951905 | 70712 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 567 | 10 | 0 | 5 | 4.4 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)C2CCN(C(C)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 44590230 | 178272 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 409 | 7 | 1 | 5 | 4.0 | Cc1nnc(C)n1C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL469542 | 178272 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 409 | 7 | 1 | 5 | 4.0 | Cc1nnc(C)n1C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 44392143 | 64498 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 495 | 7 | 1 | 2 | 7.1 | CN(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL181967 | 64498 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 495 | 7 | 1 | 2 | 7.1 | CN(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 44392106 | 122273 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 494 | 8 | 0 | 2 | 6.4 | CN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL360524 | 122273 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 494 | 8 | 0 | 2 | 6.4 | CN(C(=O)Cc1ccc(C(F)(F)F)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 53325385 | 58150 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@H]2CCOC[C@@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683061 | 58150 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@H]2CCOC[C@@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 57396951 | 70715 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 640 | 11 | 0 | 7 | 2.9 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cc(F)cc(F)c2)N2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951909 | 70715 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 640 | 11 | 0 | 7 | 2.9 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cc(F)cc(F)c2)N2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 16728627 | 146997 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 382 | 5 | 3 | 3 | 3.1 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1F | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL393069 | 146997 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 382 | 5 | 3 | 3 | 3.1 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1F | 10.1016/j.bmcl.2006.09.052 | ||
| 155513284 | 169159 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(C3CCCC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4438407 | 169159 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(C3CCCC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 44392167 | 63147 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 519 | 10 | 1 | 4 | 4.4 | CCN(C(=O)Cc1ccc(S(N)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL179877 | 63147 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 519 | 10 | 1 | 4 | 4.4 | CCN(C(=O)Cc1ccc(S(N)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 46880847 | 7468 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 477 | 7 | 1 | 5 | 4.7 | Cc1nnc(C)n1C1CCN(CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2010.01.080 | ||
| CHEMBL1087533 | 7468 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 477 | 7 | 1 | 5 | 4.7 | Cc1nnc(C)n1C1CCN(CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2010.01.080 | ||
| 491773 | 12719 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 455 | 12 | 1 | 3 | 4.8 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL1188399 | 12719 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 455 | 12 | 1 | 3 | 4.8 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL536288 | 12719 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 455 | 12 | 1 | 3 | 4.8 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| 56647076 | 92240 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 553 | 8 | 1 | 4 | 7.0 | O=C(O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| CHEMBL2435881 | 92240 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 553 | 8 | 1 | 4 | 7.0 | O=C(O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| 474150 | 11926 | 2 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 451 | 5 | 1 | 1 | 6.8 | C[N+]1(Cc2ccc(NC(=O)C3=Cc4cc(-c5ccccc5)ccc4CC3)cc2)CCCCCC1 | 10.1021/jm9906264 | ||
| CHEMBL1183377 | 11926 | 2 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 451 | 5 | 1 | 1 | 6.8 | C[N+]1(Cc2ccc(NC(=O)C3=Cc4cc(-c5ccccc5)ccc4CC3)cc2)CCCCCC1 | 10.1021/jm9906264 | ||
| CHEMBL293882 | 11926 | 2 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 451 | 5 | 1 | 1 | 6.8 | C[N+]1(Cc2ccc(NC(=O)C3=Cc4cc(-c5ccccc5)ccc4CC3)cc2)CCCCCC1 | 10.1021/jm9906264 | ||
| 483355 | 109895 | 1 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 633 | 14 | 0 | 7 | 6.8 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(C)(CC(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| CHEMBL324284 | 109895 | 1 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 633 | 14 | 0 | 7 | 6.8 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(C)(CC(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| 54583462 | 60574 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 604 | 9 | 1 | 5 | 6.9 | Cc1ccc(OC(c2ccc(Br)cc2)C2CCN(C(C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)nc1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762331 | 60574 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 604 | 9 | 1 | 5 | 6.9 | Cc1ccc(OC(c2ccc(Br)cc2)C2CCN(C(C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)nc1 | 10.1016/j.bmcl.2011.02.058 | ||
| 44455034 | 94736 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 6.0 | COc1ccccc1NC(=O)N(CCCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nnc1C(C)C)C2)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| CHEMBL255855 | 94736 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 6.0 | COc1ccccc1NC(=O)N(CCCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nnc1C(C)C)C2)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| 44590865 | 176162 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 457 | 8 | 2 | 4 | 5.1 | CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(c2[nH]ncc2-c2ccncc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL460217 | 176162 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 457 | 8 | 2 | 4 | 5.1 | CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(c2[nH]ncc2-c2ccncc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 162656188 | 180333 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 429 | 5 | 3 | 5 | 1.4 | CN[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)n3)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4757857 | 180333 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 429 | 5 | 3 | 5 | 1.4 | CN[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)n3)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | ||
| 44431949 | 148495 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 450 | 6 | 1 | 3 | 4.8 | CC(=O)NC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL394256 | 148495 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 450 | 6 | 1 | 3 | 4.8 | CC(=O)NC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| 57400372 | 70703 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 604 | 11 | 0 | 7 | 2.7 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951896 | 70703 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 604 | 11 | 0 | 7 | 2.7 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 44447733 | 94657 | 0 | None | - | 0 | Crab-eating macaque | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 469 | 5 | 0 | 5 | 5.1 | Cc1cccnc1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL255431 | 94657 | 0 | None | - | 0 | Crab-eating macaque | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 469 | 5 | 0 | 5 | 5.1 | Cc1cccnc1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 72713858 | 92269 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 538 | 8 | 1 | 6 | 4.9 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccsc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435910 | 92269 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 538 | 8 | 1 | 6 | 4.9 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccsc2)CC1 | 10.1021/jm401101p | ||
| 44415821 | 161156 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 472 | 7 | 1 | 5 | 4.8 | Cc1nc2ccccc2n1C1CC2COCC(C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 | 10.1016/j.bmcl.2006.06.012 | ||
| CHEMBL413501 | 161156 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 472 | 7 | 1 | 5 | 4.8 | Cc1nc2ccccc2n1C1CC2COCC(C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 | 10.1016/j.bmcl.2006.06.012 | ||
| 72712371 | 92230 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 494 | 6 | 0 | 3 | 6.5 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3ccncc3)cc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435871 | 92230 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 494 | 6 | 0 | 3 | 6.5 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3ccncc3)cc2)CC1 | 10.1021/jm401101p | ||
| 11626984 | 83114 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 472 | 7 | 1 | 5 | 4.8 | Cc1nc2ccccc2n1[C@H]1C[C@H]2COC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 | 10.1111/j.1747-0285.2006.00376.x | ||
| CHEMBL2203621 | 83114 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 472 | 7 | 1 | 5 | 4.8 | Cc1nc2ccccc2n1[C@H]1C[C@H]2COC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 | 10.1111/j.1747-0285.2006.00376.x | ||
| 76316242 | 85191 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 521 | 10 | 0 | 5 | 4.7 | CCN(C(=O)OC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL2282510 | 85191 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 521 | 10 | 0 | 5 | 4.7 | CCN(C(=O)OC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 44461581 | 204195 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 501 | 11 | 0 | 5 | 4.4 | CCOC(=O)N(CC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL84029 | 204195 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 501 | 11 | 0 | 5 | 4.4 | CCOC(=O)N(CC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 44431949 | 148495 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 450 | 6 | 1 | 3 | 4.8 | CC(=O)NC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL394256 | 148495 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 450 | 6 | 1 | 3 | 4.8 | CC(=O)NC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| 489833 | 110963 | 2 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 424 | 6 | 0 | 2 | 6.1 | Cc1cccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CN2CCC(c3ccccc3)CC2)c1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL327540 | 110963 | 2 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 424 | 6 | 0 | 2 | 6.1 | Cc1cccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CN2CCC(c3ccccc3)CC2)c1 | 10.1016/s0960-894x(01)00545-5 | ||
| 474149 | 11195 | 2 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 437 | 5 | 1 | 1 | 6.5 | C[N+]1(Cc2ccc(NC(=O)C3=Cc4cc(-c5ccccc5)ccc4CC3)cc2)CCCCC1 | 10.1021/jm9906264 | ||
| CHEMBL1179247 | 11195 | 2 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 437 | 5 | 1 | 1 | 6.5 | C[N+]1(Cc2ccc(NC(=O)C3=Cc4cc(-c5ccccc5)ccc4CC3)cc2)CCCCC1 | 10.1021/jm9906264 | ||
| CHEMBL66301 | 11195 | 2 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 437 | 5 | 1 | 1 | 6.5 | C[N+]1(Cc2ccc(NC(=O)C3=Cc4cc(-c5ccccc5)ccc4CC3)cc2)CCCCC1 | 10.1021/jm9906264 | ||
| 16728620 | 90305 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 390 | 6 | 4 | 4 | 2.5 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1cccc(C(=O)O)c1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL239153 | 90305 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 390 | 6 | 4 | 4 | 2.5 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1cccc(C(=O)O)c1 | 10.1016/j.bmcl.2006.09.052 | ||
| 16728620 | 90305 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 390 | 6 | 4 | 4 | 2.5 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1cccc(C(=O)O)c1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL239153 | 90305 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 390 | 6 | 4 | 4 | 2.5 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1cccc(C(=O)O)c1 | 10.1007/s00044-012-0118-7 | ||
| 54584052 | 62538 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 518 | 6 | 0 | 4 | 6.5 | O=C(c1ccccc1)N1CCC(CCN2C3CCC2CC(n2cnc4ccccc42)C3)(c2ccccc2)CC1 | 10.1021/jm200279v | ||
| CHEMBL1784395 | 62538 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 518 | 6 | 0 | 4 | 6.5 | O=C(c1ccccc1)N1CCC(CCN2C3CCC2CC(n2cnc4ccccc42)C3)(c2ccccc2)CC1 | 10.1021/jm200279v | ||
| 25131902 | 186706 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 518 | 6 | 1 | 5 | 5.7 | CC(C)(C)OC(=O)N1CCC(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccccc2)CC1 | 10.1021/jm800598a | ||
| CHEMBL492897 | 186706 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 518 | 6 | 1 | 5 | 5.7 | CC(C)(C)OC(=O)N1CCC(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccccc2)CC1 | 10.1021/jm800598a | ||
| 10371054 | 192223 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 582 | 7 | 1 | 6 | 4.8 | O=C(c1ccco1)N1CCC(OCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1021/jm800598a | ||
| CHEMBL522158 | 192223 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 582 | 7 | 1 | 6 | 4.8 | O=C(c1ccco1)N1CCC(OCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1021/jm800598a | ||
| 76311990 | 84841 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 500 | 8 | 0 | 4 | 4.4 | C/C=C(\C)[C@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)CN(C)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL2259883 | 84841 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 500 | 8 | 0 | 4 | 4.4 | C/C=C(\C)[C@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)CN(C)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| 16728644 | 85164 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 408 | 6 | 3 | 3 | 4.3 | CC/C(=N\NC(=N)N)c1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL2281961 | 85164 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 408 | 6 | 3 | 3 | 4.3 | CC/C(=N\NC(=N)N)c1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| 44431951 | 87863 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 466 | 6 | 1 | 4 | 5.0 | COC(=O)NC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL234843 | 87863 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 466 | 6 | 1 | 4 | 5.0 | COC(=O)NC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| 5481705 | 162929 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 574 | 8 | 0 | 4 | 6.9 | CN(C[C@@H](CCN1CCC2(CC1)CSc1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL420057 | 162929 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 574 | 8 | 0 | 4 | 6.9 | CN(C[C@@H](CCN1CCC2(CC1)CSc1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| 5481704 | 163867 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 606 | 8 | 0 | 5 | 5.6 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL421356 | 163867 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 606 | 8 | 0 | 5 | 5.6 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| 478399 | 204161 | 1 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 524 | 8 | 0 | 4 | 5.6 | CN(C[C@@H](CCN1CCC2(CC1)Cc1ccccc1O2)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL83818 | 204161 | 1 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 524 | 8 | 0 | 4 | 5.6 | CN(C[C@@H](CCN1CCC2(CC1)Cc1ccccc1O2)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| 489307 | 110386 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 603 | 13 | 1 | 6 | 6.5 | CN(CC(CCN1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccc(-c2ccccn2)s1 | 10.1016/s0960-894x(01)00652-7 | ||
| CHEMBL326111 | 110386 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 603 | 13 | 1 | 6 | 6.5 | CN(CC(CCN1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccc(-c2ccccn2)s1 | 10.1016/s0960-894x(01)00652-7 | ||
| 483340 | 5258 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 567 | 12 | 0 | 7 | 6.4 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(Cn2cnc3ccccc32)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| CHEMBL106803 | 5258 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 567 | 12 | 0 | 7 | 6.4 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(Cn2cnc3ccccc32)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| 489339 | 5281 | 2 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 635 | 12 | 2 | 5 | 6.1 | CCN(C(=O)OCc1ccccc1)C1CCN(CCC(C)(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00654-0 | ||
| CHEMBL106907 | 5281 | 2 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 635 | 12 | 2 | 5 | 6.1 | CCN(C(=O)OCc1ccccc1)C1CCN(CCC(C)(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00654-0 | ||
| 46888479 | 8723 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 523 | 7 | 1 | 3 | 5.4 | Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1096765 | 8723 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 523 | 7 | 1 | 3 | 5.4 | Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 5481742 | 106582 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 527 | 8 | 0 | 3 | 6.8 | [O-][S+]1CC2(CCN(CC[C@H](COCc3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL315707 | 106582 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 527 | 8 | 0 | 3 | 6.8 | [O-][S+]1CC2(CCN(CC[C@H](COCc3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 | 10.1016/s0960-894x(00)00637-5 | ||
| 5481743 | 204773 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 541 | 7 | 0 | 4 | 6.5 | O=C(OC[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)c1ccccc1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL88319 | 204773 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 541 | 7 | 0 | 4 | 6.5 | O=C(OC[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)c1ccccc1 | 10.1016/s0960-894x(00)00637-5 | ||
| 44573338 | 188178 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 598 | 8 | 1 | 5 | 7.0 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(C(=O)O)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL505443 | 188178 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 598 | 8 | 1 | 5 | 7.0 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(C(=O)O)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 44573254 | 192690 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 513 | 6 | 1 | 4 | 6.1 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)NC(C)C)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL524050 | 192690 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 513 | 6 | 1 | 4 | 6.1 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)NC(C)C)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 501049 | 4268 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 532 | 10 | 1 | 5 | 5.7 | COC(=O)[C@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL100958 | 4268 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 532 | 10 | 1 | 5 | 5.7 | COC(=O)[C@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 501057 | 4682 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 478 | 7 | 1 | 3 | 5.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL103782 | 4682 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 478 | 7 | 1 | 3 | 5.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44455069 | 95000 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 500 | 8 | 1 | 5 | 6.3 | Cc1ccc(NC(=O)N(CCCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nnc2C(C)C)C3)c2ccccc2)cc1 | 10.1016/j.bmcl.2007.12.058 | ||
| CHEMBL257081 | 95000 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 500 | 8 | 1 | 5 | 6.3 | Cc1ccc(NC(=O)N(CCCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nnc2C(C)C)C3)c2ccccc2)cc1 | 10.1016/j.bmcl.2007.12.058 | ||
| 44454977 | 97529 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 520 | 8 | 1 | 5 | 6.7 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1ccc(Cl)cc1)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| CHEMBL272716 | 97529 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 520 | 8 | 1 | 5 | 6.7 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1ccc(Cl)cc1)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| 44555481 | 5640 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 555 | 7 | 0 | 7 | 4.6 | CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2010.02.004 | ||
| CHEMBL1078231 | 5640 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 555 | 7 | 0 | 7 | 4.6 | CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2010.02.004 | ||
| 501049 | 4268 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 532 | 10 | 1 | 5 | 5.7 | COC(=O)[C@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| CHEMBL100958 | 4268 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 532 | 10 | 1 | 5 | 5.7 | COC(=O)[C@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| 501057 | 4682 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 478 | 7 | 1 | 3 | 5.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| CHEMBL103782 | 4682 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 478 | 7 | 1 | 3 | 5.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| 486602 | 105518 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 611 | 13 | 0 | 5 | 6.6 | CCCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL313216 | 105518 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 611 | 13 | 0 | 5 | 6.6 | CCCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 478444 | 170567 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 562 | 12 | 1 | 4 | 5.9 | CCCN(C(=O)Nc1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL445836 | 170567 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 562 | 12 | 1 | 4 | 5.9 | CCCN(C(=O)Nc1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 44461689 | 203940 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 591 | 13 | 0 | 5 | 6.3 | CCCN(C(=O)OCc1ccccc1C)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL81926 | 203940 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 591 | 13 | 0 | 5 | 6.3 | CCCN(C(=O)OCc1ccccc1C)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 44461823 | 204230 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 577 | 14 | 0 | 5 | 5.3 | CCCN(C(=O)COc1ccccc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL84309 | 204230 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 577 | 14 | 0 | 5 | 5.3 | CCCN(C(=O)COc1ccccc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 516351 | 59976 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 578 | 8 | 2 | 4 | 6.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL174303 | 59976 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 578 | 8 | 2 | 4 | 6.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.004 | ||
| 44325542 | 111814 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 575 | 8 | 0 | 4 | 6.8 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2CN(C(=O)c3cccc4ccccc34)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL329140 | 111814 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 575 | 8 | 0 | 4 | 6.8 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2CN(C(=O)c3cccc4ccccc34)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| 490016 | 111858 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 531 | 8 | 0 | 4 | 5.9 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL329417 | 111858 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 531 | 8 | 0 | 4 | 5.9 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| 516326 | 60735 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 554 | 9 | 1 | 5 | 5.9 | Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL176392 | 60735 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 554 | 9 | 1 | 5 | 5.9 | Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 516326 | 60735 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 554 | 9 | 1 | 5 | 5.9 | Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL176392 | 60735 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 554 | 9 | 1 | 5 | 5.9 | Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 10280445 | 94697 | 0 | None | - | 0 | Crab-eating macaque | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 539 | 5 | 0 | 5 | 5.3 | CC1(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CCN(C(=O)c2c(Cl)c[n+]([O-])cc2Cl)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL255645 | 94697 | 0 | None | - | 0 | Crab-eating macaque | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 539 | 5 | 0 | 5 | 5.3 | CC1(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CCN(C(=O)c2c(Cl)c[n+]([O-])cc2Cl)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 516326 | 60735 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 554 | 9 | 1 | 5 | 5.9 | Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL176392 | 60735 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 554 | 9 | 1 | 5 | 5.9 | Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| 68764898 | 665 | 1 | None | - | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
| 9430 | 665 | 1 | None | - | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
| CHEMBL3577945 | 665 | 1 | None | - | 3 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
| 44384642 | 59523 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 566 | 9 | 2 | 4 | 6.4 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3n[nH]cc3C3(c4ccccc4)CC3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL172845 | 59523 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 566 | 9 | 2 | 4 | 6.4 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3n[nH]cc3C3(c4ccccc4)CC3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2003.12.004 | ||
| 10117348 | 13814 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 455 | 8 | 1 | 4 | 4.1 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(OC)cc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL1196455 | 13814 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 455 | 8 | 1 | 4 | 4.1 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(OC)cc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL557015 | 13814 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 455 | 8 | 1 | 4 | 4.1 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(OC)cc1)CC2 | 10.1021/jm060051s | ||
| 474162 | 11177 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 509 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCC(=O)CC4)cc2)CCO3)cc1 | 10.1021/jm9906264 | ||
| CHEMBL1179157 | 11177 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 509 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCC(=O)CC4)cc2)CCO3)cc1 | 10.1021/jm9906264 | ||
| CHEMBL62598 | 11177 | 1 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 509 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCC(=O)CC4)cc2)CCO3)cc1 | 10.1021/jm9906264 | ||
| 53319838 | 58504 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 545 | 4 | 0 | 6 | 4.4 | CO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/ml1001536 | ||
| CHEMBL1688242 | 58504 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 545 | 4 | 0 | 6 | 4.4 | CO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/ml1001536 | ||
| 516327 | 129210 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 582 | 11 | 1 | 5 | 6.8 | CCCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL367421 | 129210 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 582 | 11 | 1 | 5 | 6.8 | CCCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 5275760 | 76711 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 623 | 10 | 0 | 6 | 5.1 | COC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1021/jm051034q | ||
| CHEMBL207301 | 76711 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 623 | 10 | 0 | 6 | 5.1 | COC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1021/jm051034q | ||
| 11585625 | 76731 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 648 | 10 | 1 | 6 | 4.0 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL207447 | 76731 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 648 | 10 | 1 | 6 | 4.0 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 516327 | 129210 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 582 | 11 | 1 | 5 | 6.8 | CCCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL367421 | 129210 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 582 | 11 | 1 | 5 | 6.8 | CCCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| 516327 | 129210 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 582 | 11 | 1 | 5 | 6.8 | CCCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL367421 | 129210 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 582 | 11 | 1 | 5 | 6.8 | CCCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 11527691 | 103072 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.9 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCCN3CCC)cc1 | 10.1021/jm0509703 | ||
| CHEMBL3085313 | 103072 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.9 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCCN3CCC)cc1 | 10.1021/jm0509703 | ||
| 516334 | 119924 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 540 | 9 | 2 | 4 | 5.9 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL353827 | 119924 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 540 | 9 | 2 | 4 | 5.9 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44274042 | 162589 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 540 | 12 | 2 | 4 | 5.5 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(CO)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL417825 | 162589 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 540 | 12 | 2 | 4 | 5.5 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(CO)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44274042 | 162589 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 540 | 12 | 2 | 4 | 5.5 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(CO)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL417825 | 162589 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 540 | 12 | 2 | 4 | 5.5 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(CO)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/s0960-894x(02)00829-6 | ||
| 516334 | 119924 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 540 | 9 | 2 | 4 | 5.9 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL353827 | 119924 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 540 | 9 | 2 | 4 | 5.9 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44274042 | 162589 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 540 | 12 | 2 | 4 | 5.5 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(CO)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL417825 | 162589 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 540 | 12 | 2 | 4 | 5.5 | O=C(O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC(CO)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 516334 | 119924 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 540 | 9 | 2 | 4 | 5.9 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL353827 | 119924 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 540 | 9 | 2 | 4 | 5.9 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2003.12.004 | ||
| 516329 | 129660 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 622 | 10 | 1 | 5 | 7.0 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC(F)(F)F)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL367863 | 129660 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 622 | 10 | 1 | 5 | 7.0 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC(F)(F)F)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2003.12.004 | ||
| 44590799 | 176217 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 479 | 9 | 1 | 3 | 5.2 | CCN(C(=O)c1ccc(F)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL460628 | 176217 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 479 | 9 | 1 | 3 | 5.2 | CCN(C(=O)c1ccc(F)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 44564982 | 192584 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 499 | 8 | 1 | 6 | 4.1 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CC[S+]([O-])CC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL523267 | 192584 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 499 | 8 | 1 | 6 | 4.1 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CC[S+]([O-])CC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| 5481746 | 112285 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 666 | 9 | 0 | 4 | 7.6 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL330570 | 112285 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 666 | 9 | 0 | 4 | 7.6 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 | 10.1016/s0960-894x(00)00637-5 | ||
| 478503 | 204466 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 620 | 9 | 0 | 5 | 6.0 | COc1ccc(S(=O)(=O)N(C)C[C@@H](CCN2CCC3(CC2)C[S+]([O-])c2ccccc23)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL86419 | 204466 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 620 | 9 | 0 | 5 | 6.0 | COc1ccc(S(=O)(=O)N(C)C[C@@H](CCN2CCC3(CC2)C[S+]([O-])c2ccccc23)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/s0960-894x(00)00637-5 | ||
| 478500 | 205127 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 624 | 8 | 0 | 4 | 6.6 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL90620 | 205127 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 624 | 8 | 0 | 4 | 6.6 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 | 10.1016/s0960-894x(00)00637-5 | ||
| 44412984 | 139587 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 632 | 11 | 0 | 6 | 4.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| CHEMBL380083 | 139587 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 632 | 11 | 0 | 6 | 4.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| 44573302 | 188032 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 580 | 6 | 0 | 6 | 7.4 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(/C(=N\C#N)SC2CCCC2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL502909 | 188032 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 580 | 6 | 0 | 6 | 7.4 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(/C(=N\C#N)SC2CCCC2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 54580467 | 60562 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 591 | 7 | 1 | 4 | 7.2 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C2(c3ccc(C(F)(F)F)cc3)Cc3ccccc3O2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762314 | 60562 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 591 | 7 | 1 | 4 | 7.2 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C2(c3ccc(C(F)(F)F)cc3)Cc3ccccc3O2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 11365412 | 60569 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 597 | 9 | 1 | 4 | 7.6 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2cccc(F)c2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762324 | 60569 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 597 | 9 | 1 | 4 | 7.6 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2cccc(F)c2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 11261876 | 60578 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 594 | 9 | 1 | 5 | 7.2 | Cc1cccc(OC(c2ccc(C(F)(F)F)cc2)C2CCN(C(C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)n1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762335 | 60578 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 594 | 9 | 1 | 5 | 7.2 | Cc1cccc(OC(c2ccc(C(F)(F)F)cc2)C2CCN(C(C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)n1 | 10.1016/j.bmcl.2011.02.058 | ||
| 11478988 | 60646 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 605 | 9 | 1 | 6 | 6.7 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2cccc(C#N)n2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762467 | 60646 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 605 | 9 | 1 | 6 | 6.7 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2cccc(C#N)n2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 5479787 | 116099 | 3 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL336672 | 116099 | 3 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 44461513 | 104259 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 487 | 10 | 0 | 5 | 4.0 | CCN(C(=O)OC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL310645 | 104259 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 487 | 10 | 0 | 5 | 4.0 | CCN(C(=O)OC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 44461581 | 204195 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 501 | 11 | 0 | 5 | 4.4 | CCOC(=O)N(CC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL84029 | 204195 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 501 | 11 | 0 | 5 | 4.4 | CCOC(=O)N(CC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 44439314 | 91535 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 438 | 7 | 3 | 4 | 4.3 | CC/C(=N\NC(=N)N)c1cc(Br)cc(OC)c1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL241476 | 91535 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 438 | 7 | 3 | 4 | 4.3 | CC/C(=N\NC(=N)N)c1cc(Br)cc(OC)c1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 44431951 | 87863 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 466 | 6 | 1 | 4 | 5.0 | COC(=O)NC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL234843 | 87863 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 466 | 6 | 1 | 4 | 5.0 | COC(=O)NC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| 486595 | 204208 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 510 | 9 | 0 | 3 | 6.3 | Cc1ccccc1C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1016/s0960-894x(01)00491-7 | ||
| CHEMBL84120 | 204208 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 510 | 9 | 0 | 3 | 6.3 | Cc1ccccc1C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1016/s0960-894x(01)00491-7 | ||
| 479876 | 111516 | 2 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 468 | 9 | 0 | 4 | 5.4 | CN(CC(CCN1CCC(c2ccccc2)CC1)c1cccs1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL328888 | 111516 | 2 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 468 | 9 | 0 | 4 | 5.4 | CN(CC(CCN1CCC(c2ccccc2)CC1)c1cccs1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 44324386 | 111036 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 303 | 6 | 0 | 2 | 3.5 | CC[C@H](CN(C)S(=O)(=O)c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL327880 | 111036 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 303 | 6 | 0 | 2 | 3.5 | CC[C@H](CN(C)S(=O)(=O)c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 11234566 | 178309 | 15 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 386 | 5 | 1 | 3 | 5.3 | CC(C)=CCC[C@H](C)[C@H]1CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)/C(C=O)=C\C[C@@H]12 | 10.1021/np049974l | ||
| CHEMBL469855 | 178309 | 15 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 386 | 5 | 1 | 3 | 5.3 | CC(C)=CCC[C@H](C)[C@H]1CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)/C(C=O)=C\C[C@@H]12 | 10.1021/np049974l | ||
| 489313 | 5377 | 2 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 601 | 10 | 1 | 6 | 6.1 | O=S(=O)(c1ccc(-c2ccccn2)s1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00652-7 | ||
| CHEMBL107425 | 5377 | 2 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 601 | 10 | 1 | 6 | 6.1 | O=S(=O)(c1ccc(-c2ccccn2)s1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00652-7 | ||
| 44590739 | 189010 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 494 | 5 | 0 | 4 | 5.2 | Cc1ccnc(C)c1C(=O)N1CCC(N2C3CCC2CN(C(c2ccccc2)c2ccccc2)C3)CC1 | 10.1016/j.bmcl.2009.01.012 | ||
| CHEMBL514749 | 189010 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 494 | 5 | 0 | 4 | 5.2 | Cc1ccnc(C)c1C(=O)N1CCC(N2C3CCC2CN(C(c2ccccc2)c2ccccc2)C3)CC1 | 10.1016/j.bmcl.2009.01.012 | ||
| 44383760 | 167999 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 554 | 9 | 2 | 5 | 5.6 | O=C(c1ccccc1)c1c[nH]nc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL435724 | 167999 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 554 | 9 | 2 | 5 | 5.6 | O=C(c1ccccc1)c1c[nH]nc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| 72712159 | 92226 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 493 | 6 | 0 | 2 | 7.1 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435867 | 92226 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 493 | 6 | 0 | 2 | 7.1 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 | 10.1021/jm401101p | ||
| 44392126 | 65765 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 467 | 6 | 0 | 3 | 5.4 | CN(C(=O)N1Cc2ccccc2C1=O)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL183885 | 65765 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 467 | 6 | 0 | 3 | 5.4 | CN(C(=O)N1Cc2ccccc2C1=O)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 52944231 | 17960 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 618 | 7 | 0 | 7 | 3.8 | CS(=O)(=O)N1CCC(C(CCN2C[C@H]3CN(C(=O)S(=O)(=O)c4ccc(C#N)cc4Cl)C[C@H]3C2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.08.118 | ||
| CHEMBL1269387 | 17960 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 618 | 7 | 0 | 7 | 3.8 | CS(=O)(=O)N1CCC(C(CCN2C[C@H]3CN(C(=O)S(=O)(=O)c4ccc(C#N)cc4Cl)C[C@H]3C2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.08.118 | ||
| 16728645 | 149041 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 376 | 8 | 3 | 3 | 4.4 | CCCC/C(=N\NC(=N)N)c1cc(Cl)ccc1OCc1ccc(F)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL394684 | 149041 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 376 | 8 | 3 | 3 | 4.4 | CCCC/C(=N\NC(=N)N)c1cc(Cl)ccc1OCc1ccc(F)cc1 | 10.1007/s00044-012-0118-7 | ||
| 44392253 | 64928 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 485 | 10 | 1 | 3 | 5.9 | CCN(C(=O)NCc1ccc(OC)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL182780 | 64928 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 485 | 10 | 1 | 3 | 5.9 | CCN(C(=O)NCc1ccc(OC)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 505876 | 27672 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 485 | 8 | 0 | 3 | 6.0 | C=CCN(c1ccccc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL137154 | 27672 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 485 | 8 | 0 | 3 | 6.0 | C=CCN(c1ccccc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 59458245 | 92225 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 617 | 10 | 2 | 5 | 5.7 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccc(C(=O)O)cc3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435866 | 92225 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 617 | 10 | 2 | 5 | 5.7 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccc(C(=O)O)cc3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 16728645 | 149041 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 376 | 8 | 3 | 3 | 4.4 | CCCC/C(=N\NC(=N)N)c1cc(Cl)ccc1OCc1ccc(F)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL394684 | 149041 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 376 | 8 | 3 | 3 | 4.4 | CCCC/C(=N\NC(=N)N)c1cc(Cl)ccc1OCc1ccc(F)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 44374017 | 119495 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 430 | 4 | 0 | 3 | 6.0 | c1ccc(C2CCN(C[C@H]3CN4OC5(CCCCC5)C[C@H]4[C@@H]3c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(01)00835-6 | ||
| CHEMBL350027 | 119495 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 430 | 4 | 0 | 3 | 6.0 | c1ccc(C2CCN(C[C@H]3CN4OC5(CCCCC5)C[C@H]4[C@@H]3c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(01)00835-6 | ||
| 25205764 | 6592 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 554 | 8 | 0 | 6 | 4.3 | CCCCC1CN(CC2CCOCC2)C(=O)N1C1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| CHEMBL1083437 | 6592 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 554 | 8 | 0 | 6 | 4.3 | CCCCC1CN(CC2CCOCC2)C(=O)N1C1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| 46880775 | 6157 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 469 | 7 | 1 | 6 | 3.6 | Cc1nnc(C)n1[C@H]1C[C@@H]2CN(CC[C@H](NC(=O)C3CCOCC3)c3cccc(F)c3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.01.080 | ||
| CHEMBL1081477 | 6157 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 469 | 7 | 1 | 6 | 3.6 | Cc1nnc(C)n1[C@H]1C[C@@H]2CN(CC[C@H](NC(=O)C3CCOCC3)c3cccc(F)c3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.01.080 | ||
| 474158 | 11169 | 2 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 467 | 5 | 1 | 2 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+]4(C)CCCCC4)cc2)CCO3)cc1 | 10.1021/jm9906264 | ||
| CHEMBL1179117 | 11169 | 2 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 467 | 5 | 1 | 2 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+]4(C)CCCCC4)cc2)CCO3)cc1 | 10.1021/jm9906264 | ||
| CHEMBL61267 | 11169 | 2 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 467 | 5 | 1 | 2 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+]4(C)CCCCC4)cc2)CCO3)cc1 | 10.1021/jm9906264 | ||
| 72712161 | 92229 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 494 | 6 | 0 | 3 | 6.5 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3cccnc3)cc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435870 | 92229 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 494 | 6 | 0 | 3 | 6.5 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3cccnc3)cc2)CC1 | 10.1021/jm401101p | ||
| 474148 | 11190 | 2 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 423 | 5 | 1 | 1 | 6.1 | C[N+]1(Cc2ccc(NC(=O)C3=Cc4cc(-c5ccccc5)ccc4CC3)cc2)CCCC1 | 10.1021/jm9906264 | ||
| CHEMBL1179235 | 11190 | 2 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 423 | 5 | 1 | 1 | 6.1 | C[N+]1(Cc2ccc(NC(=O)C3=Cc4cc(-c5ccccc5)ccc4CC3)cc2)CCCC1 | 10.1021/jm9906264 | ||
| CHEMBL65681 | 11190 | 2 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 423 | 5 | 1 | 1 | 6.1 | C[N+]1(Cc2ccc(NC(=O)C3=Cc4cc(-c5ccccc5)ccc4CC3)cc2)CCCC1 | 10.1021/jm9906264 | ||
| 72712159 | 92226 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 493 | 6 | 0 | 2 | 7.1 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435867 | 92226 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 493 | 6 | 0 | 2 | 7.1 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 | 10.1021/jm401101p | ||
| 46888546 | 8772 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 490 | 7 | 1 | 4 | 3.4 | Cc1cc[n+]([O-])c(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1097170 | 8772 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 490 | 7 | 1 | 4 | 3.4 | Cc1cc[n+]([O-])c(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 46882080 | 5538 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 609 | 9 | 0 | 7 | 5.6 | CCCC[C@H]1CN(C[C@H]2CC[C@H](OCC)CC2)C(=O)OC12CCN(C1C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C1)CC2 | 10.1016/j.bmcl.2010.02.004 | ||
| CHEMBL1077362 | 5538 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 609 | 9 | 0 | 7 | 5.6 | CCCC[C@H]1CN(C[C@H]2CC[C@H](OCC)CC2)C(=O)OC12CCN(C1C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C1)CC2 | 10.1016/j.bmcl.2010.02.004 | ||
| 72713858 | 92269 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 538 | 8 | 1 | 6 | 4.9 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccsc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435910 | 92269 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 538 | 8 | 1 | 6 | 4.9 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccsc2)CC1 | 10.1021/jm401101p | ||
| 73346388 | 92237 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 566 | 8 | 1 | 4 | 6.6 | CNC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| CHEMBL2435878 | 92237 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 566 | 8 | 1 | 4 | 6.6 | CNC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| 456615 | 102273 | 1 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 603 | 6 | 0 | 7 | 5.2 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| CHEMBL305026 | 102273 | 1 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 603 | 6 | 0 | 7 | 5.2 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| 483353 | 14516 | 1 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 619 | 14 | 0 | 7 | 6.4 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(C)(CCS(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| CHEMBL120584 | 14516 | 1 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 619 | 14 | 0 | 7 | 6.4 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(C)(CCS(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| 25133271 | 188450 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 604 | 7 | 1 | 4 | 6.4 | O=C(c1ccccc1)N1CCCC(CCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1021/jm800598a | ||
| CHEMBL509298 | 188450 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 604 | 7 | 1 | 4 | 6.4 | O=C(c1ccccc1)N1CCCC(CCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1021/jm800598a | ||
| 76330768 | 85162 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 658 | 8 | 3 | 3 | 8.9 | O=C(NCC1(O)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)Nc1c(Cl)cc(Cl)cc1Cl | 10.1007/s00044-012-0118-7 | ||
| CHEMBL2281959 | 85162 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 658 | 8 | 3 | 3 | 8.9 | O=C(NCC1(O)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)Nc1c(Cl)cc(Cl)cc1Cl | 10.1007/s00044-012-0118-7 | ||
| 11166533 | 148309 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 437 | 7 | 0 | 3 | 5.7 | CCOC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL394115 | 148309 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 437 | 7 | 0 | 3 | 5.7 | CCOC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| 5481745 | 204763 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 624 | 8 | 0 | 4 | 6.6 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1Cl | 10.1007/s00044-011-9863-2 | ||
| CHEMBL88261 | 204763 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 624 | 8 | 0 | 4 | 6.6 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1Cl | 10.1007/s00044-011-9863-2 | ||
| 46882075 | 5533 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 595 | 5 | 0 | 6 | 5.1 | CCO[C@H]1Cc2cc(C(F)(F)F)ccc2[C@@H]1N1CCN(C2C[C@@H]3CN(C(=O)c4c(C)cc(C#N)nc4C)C[C@@H]3C2)C[C@@H]1C | 10.1016/j.bmcl.2010.02.004 | ||
| CHEMBL1077355 | 5533 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 595 | 5 | 0 | 6 | 5.1 | CCO[C@H]1Cc2cc(C(F)(F)F)ccc2[C@@H]1N1CCN(C2C[C@@H]3CN(C(=O)c4c(C)cc(C#N)nc4C)C[C@@H]3C2)C[C@@H]1C | 10.1016/j.bmcl.2010.02.004 | ||
| 5481715 | 103929 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 537 | 8 | 1 | 4 | 4.9 | CN(C[C@@H](CCN1CCC2(CC1)NC(=O)c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| CHEMBL310305 | 103929 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 537 | 8 | 1 | 4 | 4.9 | CN(C[C@@H](CCN1CCC2(CC1)NC(=O)c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| 44431975 | 87516 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 659 | 8 | 3 | 4 | 7.8 | O=C(NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)Nc1c(Cl)cc(Cl)cc1Cl | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL234017 | 87516 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 659 | 8 | 3 | 4 | 7.8 | O=C(NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)Nc1c(Cl)cc(Cl)cc1Cl | 10.1016/j.bmcl.2007.01.050 | ||
| 11166533 | 148309 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 437 | 7 | 0 | 3 | 5.7 | CCOC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL394115 | 148309 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 437 | 7 | 0 | 3 | 5.7 | CCOC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| 479835 | 204792 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 506 | 8 | 0 | 4 | 5.6 | CN(CC(CCN1CCC2(CC1)CSc1ccccc12)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL88455 | 204792 | 1 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 506 | 8 | 0 | 4 | 5.6 | CN(CC(CCN1CCC2(CC1)CSc1ccccc12)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 25133620 | 186605 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 518 | 5 | 1 | 5 | 4.8 | CC(C)(C)OC(=O)N1CCC(CCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccccc2)CC1 | 10.1021/jm800598a | ||
| CHEMBL492292 | 186605 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 518 | 5 | 1 | 5 | 4.8 | CC(C)(C)OC(=O)N1CCC(CCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccccc2)CC1 | 10.1021/jm800598a | ||
| 44374136 | 51435 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 539 | 8 | 0 | 5 | 6.3 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@@H]2[C@@H](c3ccccc3)CN3O[C@H](c4ccccc4)C[C@@H]23)CC1 | 10.1016/s0960-894x(01)00835-6 | ||
| CHEMBL158438 | 51435 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 539 | 8 | 0 | 5 | 6.3 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@@H]2[C@@H](c3ccccc3)CN3O[C@H](c4ccccc4)C[C@@H]23)CC1 | 10.1016/s0960-894x(01)00835-6 | ||
| 44392088 | 63142 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 533 | 10 | 0 | 4 | 4.6 | CN(C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL179858 | 63142 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 533 | 10 | 0 | 4 | 4.6 | CN(C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 16073661 | 139477 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 614 | 11 | 0 | 6 | 4.7 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccc(F)cc2)c2ccc(S(C)(=O)=O)cc2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| CHEMBL380005 | 139477 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 614 | 11 | 0 | 6 | 4.7 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccc(F)cc2)c2ccc(S(C)(=O)=O)cc2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| 44374136 | 51435 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 539 | 8 | 0 | 5 | 6.3 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@@H]2[C@@H](c3ccccc3)CN3O[C@H](c4ccccc4)C[C@@H]23)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL158438 | 51435 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 539 | 8 | 0 | 5 | 6.3 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@@H]2[C@@H](c3ccccc3)CN3O[C@H](c4ccccc4)C[C@@H]23)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 490006 | 111039 | 2 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 489 | 8 | 0 | 4 | 5.6 | COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(Cc3ccccc3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL327898 | 111039 | 2 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 489 | 8 | 0 | 4 | 5.6 | COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(Cc3ccccc3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| 489822 | 205717 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 430 | 5 | 0 | 3 | 5.5 | O=C(c1cccs1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL94182 | 205717 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 430 | 5 | 0 | 3 | 5.5 | O=C(c1cccs1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| 44374136 | 51435 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 539 | 8 | 0 | 5 | 6.3 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@@H]2[C@@H](c3ccccc3)CN3O[C@H](c4ccccc4)C[C@@H]23)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL158438 | 51435 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 539 | 8 | 0 | 5 | 6.3 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@@H]2[C@@H](c3ccccc3)CN3O[C@H](c4ccccc4)C[C@@H]23)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 76330770 | 85170 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 584 | 8 | 3 | 3 | 7.6 | Cc1cccc(C)c1NC(=O)NCC1(O)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL2281967 | 85170 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 584 | 8 | 3 | 3 | 7.6 | Cc1cccc(C)c1NC(=O)NCC1(O)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| 24794583 | 180511 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 464 | 5 | 3 | 6 | 2.3 | CN[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4760098 | 180511 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 464 | 5 | 3 | 6 | 2.3 | CN[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | ||
| 46888498 | 8649 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 383 | 6 | 1 | 3 | 2.8 | CC(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1096101 | 8649 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 383 | 6 | 1 | 3 | 2.8 | CC(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 44431979 | 87404 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 585 | 8 | 3 | 4 | 6.4 | Cc1cccc(C)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL233846 | 87404 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 585 | 8 | 3 | 4 | 6.4 | Cc1cccc(C)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| 44392114 | 65736 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 442 | 8 | 1 | 3 | 5.1 | CN(C(=O)Cc1ccc(O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL183709 | 65736 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 442 | 8 | 1 | 3 | 5.1 | CN(C(=O)Cc1ccc(O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 11154101 | 87674 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 408 | 5 | 1 | 3 | 4.6 | NC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL234673 | 87674 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 408 | 5 | 1 | 3 | 4.6 | NC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| 10008490 | 192004 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 584 | 7 | 1 | 5 | 5.1 | O=C(C1CCCC1)N1CCC(OCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1021/jm800598a | ||
| CHEMBL521529 | 192004 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 584 | 7 | 1 | 5 | 5.1 | O=C(C1CCCC1)N1CCC(OCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)C1 | 10.1021/jm800598a | ||
| 16728613 | 91137 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 371 | 5 | 3 | 4 | 2.7 | N#Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=N)N)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL240636 | 91137 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 371 | 5 | 3 | 4 | 2.7 | N#Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=N)N)cc1 | 10.1007/s00044-012-0118-7 | ||
| 44590584 | 176219 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 463 | 10 | 2 | 4 | 3.9 | COc1ccc(CC(=O)NC2CCN(CC[C@H](NC(=O)C3CCC3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL460630 | 176219 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 463 | 10 | 2 | 4 | 3.9 | COc1ccc(CC(=O)NC2CCN(CC[C@H](NC(=O)C3CCC3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2009.01.009 | ||
| 483342 | 107684 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 595 | 13 | 0 | 7 | 7.0 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(Cn2c(CC)nc3ccccc32)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| CHEMBL319622 | 107684 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 595 | 13 | 0 | 7 | 7.0 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(Cn2c(CC)nc3ccccc32)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| 44454972 | 97378 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 554 | 8 | 1 | 5 | 7.3 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| CHEMBL272064 | 97378 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 554 | 8 | 1 | 5 | 7.3 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| 489817 | 205549 | 2 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 502 | 5 | 0 | 2 | 6.2 | O=C(c1ccccc1Br)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL93168 | 205549 | 2 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 502 | 5 | 0 | 2 | 6.2 | O=C(c1ccccc1Br)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| 489826 | 205592 | 2 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 402 | 5 | 0 | 2 | 4.9 | O=C(C1CCC1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL93457 | 205592 | 2 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 402 | 5 | 0 | 2 | 4.9 | O=C(C1CCC1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| 11189082 | 146480 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 409 | 5 | 1 | 3 | 4.6 | OC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL392659 | 146480 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 409 | 5 | 1 | 3 | 4.6 | OC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| 16728613 | 91137 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 371 | 5 | 3 | 4 | 2.7 | N#Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=N)N)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL240636 | 91137 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 371 | 5 | 3 | 4 | 2.7 | N#Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=N)N)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 473081 | 205325 | 2 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 424 | 6 | 0 | 2 | 6.3 | CC(c1ccccc1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL91697 | 205325 | 2 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 424 | 6 | 0 | 2 | 6.3 | CC(c1ccccc1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| 11249997 | 87919 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 563 | 6 | 1 | 3 | 6.9 | OC1(c2ccc(Br)cc2)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL234894 | 87919 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 563 | 6 | 1 | 3 | 6.9 | OC1(c2ccc(Br)cc2)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| 489595 | 167317 | 2 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 536 | 5 | 0 | 5 | 3.9 | O=S1(=O)CC2(CCN(C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3c3ccccc3)CC2)c2ccccc21 | 10.1016/s0960-894x(01)00232-3 | ||
| CHEMBL431111 | 167317 | 2 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 536 | 5 | 0 | 5 | 3.9 | O=S1(=O)CC2(CCN(C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3c3ccccc3)CC2)c2ccccc21 | 10.1016/s0960-894x(01)00232-3 | ||
| 44392176 | 64748 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 533 | 10 | 1 | 4 | 5.3 | CCN(C(=O)NCc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL182380 | 64748 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 533 | 10 | 1 | 4 | 5.3 | CCN(C(=O)NCc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 11189082 | 146480 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 409 | 5 | 1 | 3 | 4.6 | OC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL392659 | 146480 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 409 | 5 | 1 | 3 | 4.6 | OC1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| 44565081 | 186502 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 501 | 8 | 1 | 5 | 5.8 | Cc1nnc(C(C)C)n1C1CCN([C@@H](C)C[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL491320 | 186502 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 501 | 8 | 1 | 5 | 5.8 | Cc1nnc(C(C)C)n1C1CCN([C@@H](C)C[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| 44392104 | 165407 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 452 | 7 | 1 | 3 | 5.7 | CN(C(=O)Nc1cccc(C#N)c1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL425168 | 165407 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 452 | 7 | 1 | 3 | 5.7 | CN(C(=O)Nc1cccc(C#N)c1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 4080740 | 165622 | 6 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 464 | 10 | 1 | 6 | 3.7 | O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCCCC1)NCCc1ccccc1 | 10.1021/jm061389p | ||
| CHEMBL426385 | 165622 | 6 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 464 | 10 | 1 | 6 | 3.7 | O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCCCC1)NCCc1ccccc1 | 10.1021/jm061389p | ||
| 24794624 | 179036 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 492 | 6 | 3 | 6 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4742683 | 179036 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 492 | 6 | 3 | 6 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| 44373852 | 54337 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 480 | 8 | 0 | 3 | 6.9 | c1ccc(CCCC2CCN(C[C@H]3CN4O[C@H](c5ccccc5)C[C@H]4[C@@H]3c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(01)00835-6 | ||
| CHEMBL161093 | 54337 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 480 | 8 | 0 | 3 | 6.9 | c1ccc(CCCC2CCN(C[C@H]3CN4O[C@H](c5ccccc5)C[C@H]4[C@@H]3c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(01)00835-6 | ||
| 44373721 | 164767 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 531 | 7 | 0 | 5 | 6.2 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2CN3OC4(CCCCC4)C[C@H]3[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00835-6 | ||
| CHEMBL423427 | 164767 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 531 | 7 | 0 | 5 | 6.2 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2CN3OC4(CCCCC4)C[C@H]3[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00835-6 | ||
| 44590585 | 190523 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 505 | 11 | 1 | 4 | 5.0 | CCN(C(=O)Cc1ccc(OC)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL518794 | 190523 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 505 | 11 | 1 | 4 | 5.0 | CCN(C(=O)Cc1ccc(OC)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 489343 | 4862 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 647 | 13 | 2 | 5 | 6.3 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CCC(C)(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00654-0 | ||
| CHEMBL104698 | 4862 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 647 | 13 | 2 | 5 | 6.3 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CCC(C)(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00654-0 | ||
| 505879 | 28435 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 518 | 10 | 1 | 5 | 5.5 | CCCN(c1cccnc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL137728 | 28435 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 518 | 10 | 1 | 5 | 5.5 | CCCN(c1cccnc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 496974 | 4160 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 532 | 11 | 2 | 4 | 5.8 | O=C(O)Cc1ccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00605-4 | ||
| CHEMBL100336 | 4160 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 532 | 11 | 2 | 4 | 5.8 | O=C(O)Cc1ccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00605-4 | ||
| 3011729 | 70700 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 602 | 11 | 0 | 6 | 4.9 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCN(c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951893 | 70700 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 602 | 11 | 0 | 6 | 4.9 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCN(c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 57395179 | 70717 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 633 | 12 | 0 | 7 | 3.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cccc(OC)c2)C2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951911 | 70717 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 633 | 12 | 0 | 7 | 3.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cccc(OC)c2)C2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 10348408 | 168871 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 590 | 8 | 1 | 5 | 7.4 | Cc1cccc(C)c1C(C(=O)O)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL442619 | 168871 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 590 | 8 | 1 | 5 | 7.4 | Cc1cccc(C)c1C(C(=O)O)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 44573340 | 188236 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 576 | 8 | 0 | 6 | 6.9 | COC(=O)C(c1ccccc1)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL506273 | 188236 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 576 | 8 | 0 | 6 | 6.9 | COC(=O)C(c1ccccc1)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 44573336 | 188370 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 565 | 5 | 0 | 6 | 5.1 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(/C(=N\C#N)N2CCOCC2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL508250 | 188370 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 565 | 5 | 0 | 6 | 5.1 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(/C(=N\C#N)N2CCOCC2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 11605997 | 58502 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 515 | 3 | 0 | 5 | 4.8 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN(C3CCc4cc(C(F)(F)F)ccc43)[C@@H](C)C2)CC1 | 10.1021/ml1001536 | ||
| CHEMBL1688240 | 58502 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 515 | 3 | 0 | 5 | 4.8 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN(C3CCc4cc(C(F)(F)F)ccc43)[C@@H](C)C2)CC1 | 10.1021/ml1001536 | ||
| 496974 | 4160 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 532 | 11 | 2 | 4 | 5.8 | O=C(O)Cc1ccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL100336 | 4160 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 532 | 11 | 2 | 4 | 5.8 | O=C(O)Cc1ccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 | 10.1016/j.ejmech.2008.01.040 | ||
| 501050 | 4206 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 5.6 | O=C(O)[C@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL100596 | 4206 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 5.6 | O=C(O)[C@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 505879 | 28435 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 518 | 10 | 1 | 5 | 5.5 | CCCN(c1cccnc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL137728 | 28435 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 518 | 10 | 1 | 5 | 5.5 | CCCN(c1cccnc1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 46880887 | 7417 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 503 | 7 | 1 | 5 | 5.3 | Cc1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccc(F)c1 | 10.1016/j.bmcl.2010.01.080 | ||
| CHEMBL1087153 | 7417 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 503 | 7 | 1 | 5 | 5.3 | Cc1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccc(F)c1 | 10.1016/j.bmcl.2010.01.080 | ||
| 46880849 | 7470 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.5 | Cc1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CC(F)(F)C1)c1cccc(F)c1 | 10.1016/j.bmcl.2010.01.080 | ||
| CHEMBL1087535 | 7470 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.5 | Cc1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CC(F)(F)C1)c1cccc(F)c1 | 10.1016/j.bmcl.2010.01.080 | ||
| 501050 | 4206 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 5.6 | O=C(O)[C@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| CHEMBL100596 | 4206 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 518 | 10 | 2 | 4 | 5.6 | O=C(O)[C@H](C1CCCCC1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| 44461476 | 103688 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 549 | 11 | 0 | 5 | 5.2 | CN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL309619 | 103688 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 549 | 11 | 0 | 5 | 5.2 | CN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 478414 | 104284 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 538 | 12 | 0 | 3 | 6.9 | CN(C[C@@H](CCN1CCC(CCCc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| CHEMBL310780 | 104284 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 538 | 12 | 0 | 3 | 6.9 | CN(C[C@@H](CCN1CCC(CCCc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| 44461677 | 167463 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 591 | 14 | 0 | 5 | 6.4 | CCCCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL432182 | 167463 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 591 | 14 | 0 | 5 | 6.4 | CCCCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 5481713 | 204056 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 536 | 8 | 0 | 4 | 5.8 | CN(C[C@@H](CCN1CCC2(CC1)CC(=O)c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| 5481713 | 204056 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 536 | 8 | 0 | 4 | 5.8 | CN(C[C@@H](CCN1CCC2(CC1)CC(=O)c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL82880 | 204056 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 536 | 8 | 0 | 4 | 5.8 | CN(C[C@@H](CCN1CCC2(CC1)CC(=O)c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| CHEMBL82880 | 204056 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 536 | 8 | 0 | 4 | 5.8 | CN(C[C@@H](CCN1CCC2(CC1)CC(=O)c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00492-9 | ||
| 44415847 | 79498 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 457 | 9 | 1 | 5 | 4.6 | O=C(N[C@@H](CCN1CCC(n2cnc(Cc3ccccc3)n2)CC1)c1ccccc1)C1CCC1 | 10.1016/j.bmcl.2006.06.012 | ||
| CHEMBL212437 | 79498 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 457 | 9 | 1 | 5 | 4.6 | O=C(N[C@@H](CCN1CCC(n2cnc(Cc3ccccc3)n2)CC1)c1ccccc1)C1CCC1 | 10.1016/j.bmcl.2006.06.012 | ||
| 516180 | 130039 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 582 | 10 | 1 | 5 | 5.9 | CCn1nc(Cc2ccc(F)cc2F)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| CHEMBL368098 | 130039 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 582 | 10 | 1 | 5 | 5.9 | CCn1nc(Cc2ccc(F)cc2F)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.006 | ||
| 490013 | 205498 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 525 | 8 | 0 | 4 | 5.7 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2CN(C(=O)c3ccccc3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL92803 | 205498 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 525 | 8 | 0 | 4 | 5.7 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2CN(C(=O)c3ccccc3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| 44461476 | 103688 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 549 | 11 | 0 | 5 | 5.2 | CN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL309619 | 103688 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 549 | 11 | 0 | 5 | 5.2 | CN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 54584059 | 62554 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 566 | 6 | 0 | 4 | 7.4 | Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2cccc(Cl)c2)CC1 | 10.1021/jm200279v | ||
| CHEMBL1784481 | 62554 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 566 | 6 | 0 | 4 | 7.4 | Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2cccc(Cl)c2)CC1 | 10.1021/jm200279v | ||
| 25132254 | 102809 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 532 | 6 | 0 | 4 | 6.8 | Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm800598a | ||
| CHEMBL3084492 | 102809 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 532 | 6 | 0 | 4 | 6.8 | Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm800598a | ||
| 25132604 | 102817 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 562 | 5 | 0 | 5 | 7.5 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2cccc(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 | 10.1021/jm800598a | ||
| CHEMBL3084500 | 102817 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 562 | 5 | 0 | 5 | 7.5 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2cccc(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 | 10.1021/jm800598a | ||
| 10278617 | 94739 | 2 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL255858 | 94739 | 2 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 3008902 | 200993 | 1 | None | - | 0 | Crab-eating macaque | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 512 | 6 | 0 | 4 | 5.1 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL61536 | 200993 | 1 | None | - | 0 | Crab-eating macaque | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 512 | 6 | 0 | 4 | 5.1 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(Cc3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 5275763 | 96343 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 622 | 10 | 1 | 5 | 4.7 | CNC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1021/jm051034q | ||
| CHEMBL264832 | 96343 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 622 | 10 | 1 | 5 | 4.7 | CNC(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1021/jm051034q | ||
| 3002977 | 2426 | 70 | None | - | 2 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.ejmech.2018.01.085 | ||
| 803 | 2426 | 70 | None | - | 2 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.ejmech.2018.01.085 | ||
| 806 | 2426 | 70 | None | - | 2 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.ejmech.2018.01.085 | ||
| CHEMBL1201187 | 2426 | 70 | None | - | 2 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.ejmech.2018.01.085 | ||
| CHEMBL256907 | 2426 | 70 | None | - | 2 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.ejmech.2018.01.085 | ||
| CHEMBL584744 | 2426 | 70 | None | - | 2 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.ejmech.2018.01.085 | ||
| DB04835 | 2426 | 70 | None | - | 2 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.ejmech.2018.01.085 | ||
| 25133963 | 102813 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 566 | 6 | 0 | 4 | 7.4 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2cccc(Cl)c2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm800598a | ||
| CHEMBL3084496 | 102813 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 566 | 6 | 0 | 4 | 7.4 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2cccc(Cl)c2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm800598a | ||
| 50992246 | 58163 | 2 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683074 | 58163 | 2 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 5275842 | 63505 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 604 | 11 | 0 | 6 | 5.1 | CN(C[C@@](C)(CCN1CCC2C(CCC(=O)N2Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2004.12.044 | ||
| CHEMBL180274 | 63505 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 604 | 11 | 0 | 6 | 5.1 | CN(C[C@@](C)(CCN1CCC2C(CCC(=O)N2Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2004.12.044 | ||
| 57396843 | 70251 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 671 | 12 | 0 | 6 | 4.7 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)C2CCN(S(=O)(=O)CC(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1949696 | 70251 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 671 | 12 | 0 | 6 | 4.7 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)C2CCN(S(=O)(=O)CC(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 516368 | 130694 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 560 | 10 | 1 | 5 | 6.0 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@](C)(C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.005 | ||
| CHEMBL368637 | 130694 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 560 | 10 | 1 | 5 | 6.0 | CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@](C)(C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2003.12.005 | ||
| 72711958 | 92223 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 574 | 9 | 1 | 5 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccncc3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435864 | 92223 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 574 | 9 | 1 | 5 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccncc3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 3001322 | 439 | 19 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| 805 | 439 | 19 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| CHEMBL1255794 | 439 | 19 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| DB06497 | 439 | 19 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1016/j.bmc.2011.05.022 | ||
| 44404640 | 72190 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 651 | 13 | 1 | 5 | 6.3 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(NC(=O)Cc3ccccc3)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL199118 | 72190 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 651 | 13 | 1 | 5 | 6.3 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(NC(=O)Cc3ccccc3)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 72711955 | 92220 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 574 | 9 | 1 | 5 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccccn3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435861 | 92220 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 574 | 9 | 1 | 5 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccccn3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 501054 | 4522 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 436 | 9 | 2 | 4 | 3.6 | O=C(O)CN1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL102674 | 4522 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 436 | 9 | 2 | 4 | 3.6 | O=C(O)CN1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 496984 | 162901 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 9 | 1 | 4 | 5.5 | OC1(CCCc2cccnc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL419895 | 162901 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 9 | 1 | 4 | 5.5 | OC1(CCCc2cccnc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 496973 | 167520 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 532 | 11 | 2 | 4 | 5.8 | O=C(O)Cc1cccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL432596 | 167520 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 532 | 11 | 2 | 4 | 5.8 | O=C(O)Cc1cccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1 | 10.1016/j.ejmech.2008.01.040 | ||
| 478414 | 104284 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 538 | 12 | 0 | 3 | 6.9 | CN(C[C@@H](CCN1CCC(CCCc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL310780 | 104284 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 538 | 12 | 0 | 3 | 6.9 | CN(C[C@@H](CCN1CCC(CCCc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| 5481744 | 204822 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 596 | 8 | 0 | 4 | 6.2 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CCCCC1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL88644 | 204822 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 596 | 8 | 0 | 4 | 6.2 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CCCCC1 | 10.1007/s00044-011-9863-2 | ||
| 11376667 | 60564 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 579 | 9 | 1 | 4 | 7.4 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762316 | 60564 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 579 | 9 | 1 | 4 | 7.4 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 11215601 | 60566 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 604 | 9 | 1 | 5 | 7.3 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2cccc(C#N)c2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762318 | 60566 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 604 | 9 | 1 | 5 | 7.3 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2cccc(C#N)c2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 11238728 | 60577 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 594 | 9 | 1 | 5 | 7.2 | Cc1ccnc(OC(c2ccc(C(F)(F)F)cc2)C2CCN(C(C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)c1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762334 | 60577 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 594 | 9 | 1 | 5 | 7.2 | Cc1ccnc(OC(c2ccc(C(F)(F)F)cc2)C2CCN(C(C)CCNC(=O)c3c(Cl)cncc3Cl)CC2)c1 | 10.1016/j.bmcl.2011.02.058 | ||
| 5481712 | 105424 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 523 | 8 | 1 | 4 | 5.6 | CN(C[C@@H](CCN1CCC2(CC1)CNc1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| CHEMBL312808 | 105424 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 523 | 8 | 1 | 4 | 5.6 | CN(C[C@@H](CCN1CCC2(CC1)CNc1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| 44415784 | 79412 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 395 | 7 | 1 | 5 | 3.6 | Cc1nnc(C)n1C1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2006.06.012 | ||
| CHEMBL212087 | 79412 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 395 | 7 | 1 | 5 | 3.6 | Cc1nnc(C)n1C1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2006.06.012 | ||
| 482148 | 162768 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 544 | 8 | 0 | 6 | 4.4 | CN(CC(CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccsc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL418954 | 162768 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 544 | 8 | 0 | 6 | 4.4 | CN(CC(CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccsc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 15950679 | 92227 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 495 | 6 | 0 | 4 | 5.9 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3cncnc3)cc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435868 | 92227 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 495 | 6 | 0 | 4 | 5.9 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3cncnc3)cc2)CC1 | 10.1021/jm401101p | ||
| 72712374 | 92233 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 457 | 5 | 1 | 3 | 5.3 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc3nc[nH]c3c2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435874 | 92233 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 457 | 5 | 1 | 3 | 5.3 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc3nc[nH]c3c2)CC1 | 10.1021/jm401101p | ||
| 16073671 | 170809 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 652 | 11 | 0 | 6 | 5.9 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(C(C)(C)C)c2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| CHEMBL446187 | 170809 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 652 | 11 | 0 | 6 | 5.9 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(C(C)(C)C)c2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| 16728621 | 90313 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 360 | 5 | 3 | 3 | 3.2 | Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=N)N)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL239154 | 90313 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 360 | 5 | 3 | 3 | 3.2 | Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=N)N)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 479860 | 205268 | 2 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 530 | 9 | 0 | 3 | 6.4 | CN(CC(CCN1CCC(c2ccccc2)CC1)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL91413 | 205268 | 2 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 530 | 9 | 0 | 3 | 6.4 | CN(CC(CCN1CCC(c2ccccc2)CC1)c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 16728621 | 90313 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 360 | 5 | 3 | 3 | 3.2 | Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=N)N)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL239154 | 90313 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 360 | 5 | 3 | 3 | 3.2 | Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=N)N)cc1 | 10.1007/s00044-012-0118-7 | ||
| 478496 | 204589 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 582 | 8 | 0 | 4 | 5.8 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CCCC1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL87167 | 204589 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 582 | 8 | 0 | 4 | 5.8 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)C1CCCC1 | 10.1007/s00044-011-9863-2 | ||
| 25133617 | 102806 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 536 | 7 | 0 | 5 | 6.8 | Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CCCC1(c2ccccc2)CCN(C(=O)c2ccco2)CC1 | 10.1021/jm800598a | ||
| CHEMBL3084489 | 102806 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 536 | 7 | 0 | 5 | 6.8 | Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CCCC1(c2ccccc2)CCN(C(=O)c2ccco2)CC1 | 10.1021/jm800598a | ||
| 12425 | 6 | 116 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| 1318 | 6 | 116 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| CHEMBL415879 | 6 | 116 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| DB02365 | 6 | 116 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| 44273850 | 99146 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 554 | 12 | 2 | 4 | 5.6 | O=C(O)C(CCC1CCN(C[C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 | 10.1016/s0960-894x(02)00829-6 | ||
| CHEMBL284010 | 99146 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 554 | 12 | 2 | 4 | 5.6 | O=C(O)C(CCC1CCN(C[C@H]2CN([C@H](CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 | 10.1016/s0960-894x(02)00829-6 | ||
| 44392137 | 64519 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 530 | 10 | 0 | 4 | 5.3 | CS(=O)(=O)c1ccc(CC(=O)N(C2CC2)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL182074 | 64519 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 530 | 10 | 0 | 4 | 5.3 | CS(=O)(=O)c1ccc(CC(=O)N(C2CC2)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.10.044 | ||
| 46883507 | 6032 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 523 | 7 | 0 | 4 | 6.3 | CCCCC1N(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| CHEMBL1080794 | 6032 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 523 | 7 | 0 | 4 | 6.3 | CCCCC1N(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| 44392168 | 122770 | 4 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 457 | 8 | 0 | 4 | 5.4 | CN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL361414 | 122770 | 4 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 457 | 8 | 0 | 4 | 5.4 | CN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 53389710 | 171715 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 331 | 5 | 2 | 5 | 2.6 | CCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4474757 | 171715 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 331 | 5 | 2 | 5 | 2.6 | CCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 489808 | 111950 | 2 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 458 | 5 | 0 | 2 | 6.1 | O=C(c1ccccc1Cl)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL329813 | 111950 | 2 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 458 | 5 | 0 | 2 | 6.1 | O=C(c1ccccc1Cl)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| 73347894 | 92222 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 574 | 9 | 1 | 5 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3cccnc3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435863 | 92222 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 574 | 9 | 1 | 5 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3cccnc3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 44564885 | 178733 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 495 | 10 | 1 | 6 | 4.6 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)COCC(F)(F)F)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL473353 | 178733 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 495 | 10 | 1 | 6 | 4.6 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)COCC(F)(F)F)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| 25130903 | 187124 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 566 | 8 | 1 | 5 | 5.9 | O=C1NCN(c2ccccc2)C12CCN(CCCC1(c3ccc(Cl)c(Cl)c3)CCN(Cc3ccco3)C1)CC2 | 10.1021/jm800598a | ||
| CHEMBL495297 | 187124 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 566 | 8 | 1 | 5 | 5.9 | O=C1NCN(c2ccccc2)C12CCN(CCCC1(c3ccc(Cl)c(Cl)c3)CCN(Cc3ccco3)C1)CC2 | 10.1021/jm800598a | ||
| 16728786 | 13856 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@H]([C@@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL1196759 | 13856 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@H]([C@@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL558043 | 13856 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@H]([C@@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| 44455033 | 94735 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 6.0 | COc1cccc(NC(=O)N(CCCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nnc2C(C)C)C3)c2ccccc2)c1 | 10.1016/j.bmcl.2007.12.058 | ||
| CHEMBL255854 | 94735 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 6.0 | COc1cccc(NC(=O)N(CCCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nnc2C(C)C)C3)c2ccccc2)c1 | 10.1016/j.bmcl.2007.12.058 | ||
| 12425 | 6 | 116 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| 1318 | 6 | 116 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| CHEMBL415879 | 6 | 116 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| DB02365 | 6 | 116 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| 44454975 | 154944 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 554 | 8 | 1 | 5 | 7.3 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| CHEMBL404056 | 154944 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 554 | 8 | 1 | 5 | 7.3 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| 44590943 | 175823 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 439 | 9 | 1 | 6 | 3.7 | CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(c2nnc(CN(C)C)o2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL459598 | 175823 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 439 | 9 | 1 | 6 | 3.7 | CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(c2nnc(CN(C)C)o2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 44392258 | 65741 | 3 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 469 | 9 | 1 | 2 | 6.5 | CCN(C(=O)NC(C)c1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL183746 | 65741 | 3 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 469 | 9 | 1 | 2 | 6.5 | CCN(C(=O)NC(C)c1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 53324140 | 58154 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683065 | 58154 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 72712371 | 92230 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 494 | 6 | 0 | 3 | 6.5 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3ccncc3)cc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435871 | 92230 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 494 | 6 | 0 | 3 | 6.5 | O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3ccncc3)cc2)CC1 | 10.1021/jm401101p | ||
| 483345 | 4904 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 588 | 10 | 2 | 6 | 5.4 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CCC(C)(c2ccccc2)C2Nc3ccccc3S(=O)(=O)N2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| CHEMBL104867 | 4904 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 588 | 10 | 2 | 6 | 5.4 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CCC(C)(c2ccccc2)C2Nc3ccccc3S(=O)(=O)N2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| 489821 | 111120 | 2 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 414 | 5 | 0 | 3 | 5.0 | O=C(c1ccco1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL328373 | 111120 | 2 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 414 | 5 | 0 | 3 | 5.0 | O=C(c1ccco1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| 44392109 | 165748 | 4 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 406 | 7 | 0 | 2 | 5.6 | CN(C(=O)CC(C)(C)C)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL427137 | 165748 | 4 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 406 | 7 | 0 | 2 | 5.6 | CN(C(=O)CC(C)(C)C)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 44590850 | 176137 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 441 | 8 | 1 | 3 | 5.4 | Cc1ccnc(C)c1C(=O)NCCN1CCCC(CC(c2ccccc2)c2ccccc2)C1 | 10.1016/j.bmcl.2009.01.012 | ||
| CHEMBL459986 | 176137 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 441 | 8 | 1 | 3 | 5.4 | Cc1ccnc(C)c1C(=O)NCCN1CCCC(CC(c2ccccc2)c2ccccc2)C1 | 10.1016/j.bmcl.2009.01.012 | ||
| 16073673 | 77458 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 621 | 11 | 0 | 7 | 4.4 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(C#N)c2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| CHEMBL209278 | 77458 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 621 | 11 | 0 | 7 | 4.4 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2cccc(C#N)c2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| 72712158 | 92224 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 609 | 9 | 2 | 5 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCC(C(=O)O)CC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435865 | 92224 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 609 | 9 | 2 | 5 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCC(C(=O)O)CC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 72711506 | 92261 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 511 | 8 | 1 | 4 | 4.8 | CCN1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O | 10.1021/jm401101p | ||
| CHEMBL2435902 | 92261 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 511 | 8 | 1 | 4 | 4.8 | CCN1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O | 10.1021/jm401101p | ||
| 72711049 | 92253 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 557 | 8 | 1 | 6 | 4.8 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(C#N)c2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435894 | 92253 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 557 | 8 | 1 | 6 | 4.8 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(C#N)c2)CC1 | 10.1021/jm401101p | ||
| 44392204 | 65296 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 472 | 9 | 0 | 3 | 6.1 | CSc1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL183409 | 65296 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 472 | 9 | 0 | 3 | 6.1 | CSc1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.10.044 | ||
| 16073668 | 79374 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 632 | 11 | 0 | 6 | 4.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2c(F)cccc2F)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| CHEMBL211903 | 79374 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 632 | 11 | 0 | 6 | 4.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccc(S(C)(=O)=O)cc2)c2c(F)cccc2F)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| 10159218 | 13822 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 385 | 7 | 1 | 3 | 3.2 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccccc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL1196504 | 13822 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 385 | 7 | 1 | 3 | 3.2 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccccc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL557199 | 13822 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 385 | 7 | 1 | 3 | 3.2 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccccc1)CC2 | 10.1021/jm060051s | ||
| 54585383 | 60555 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 544 | 9 | 0 | 5 | 4.7 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C(C)CCN(C)C(=O)c2c(C)cc[n+]([O-])c2C)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762306 | 60555 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 544 | 9 | 0 | 5 | 4.7 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C(C)CCN(C)C(=O)c2c(C)cc[n+]([O-])c2C)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 44431972 | 88735 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 625 | 8 | 3 | 4 | 7.1 | O=C(NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)Nc1c(Cl)cccc1Cl | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL236622 | 88735 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 625 | 8 | 3 | 4 | 7.1 | O=C(NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)Nc1c(Cl)cccc1Cl | 10.1016/j.bmcl.2007.01.050 | ||
| 73346389 | 92238 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 580 | 8 | 0 | 4 | 7.0 | CN(C)C(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| CHEMBL2435879 | 92238 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 580 | 8 | 0 | 4 | 7.0 | CN(C)C(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| 489827 | 111785 | 2 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 418 | 7 | 0 | 2 | 5.5 | CCC(CC)C(=O)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL329107 | 111785 | 2 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 418 | 7 | 0 | 2 | 5.5 | CCC(CC)C(=O)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| 76312666 | 85167 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 624 | 8 | 3 | 3 | 8.3 | O=C(NCC1(O)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)Nc1c(Cl)cccc1Cl | 10.1007/s00044-012-0118-7 | ||
| CHEMBL2281964 | 85167 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 624 | 8 | 3 | 3 | 8.3 | O=C(NCC1(O)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)Nc1c(Cl)cccc1Cl | 10.1007/s00044-012-0118-7 | ||
| 479870 | 105931 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 498 | 9 | 0 | 3 | 5.6 | CN(CC(CCN1CCC(c2ccccc2)CC1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL313950 | 105931 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 498 | 9 | 0 | 3 | 5.6 | CN(CC(CCN1CCC(c2ccccc2)CC1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 5481871 | 204866 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 540 | 8 | 0 | 4 | 4.8 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL88927 | 204866 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 540 | 8 | 0 | 4 | 4.8 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(F)cc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 6475311 | 11191 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 425 | 6 | 1 | 1 | 6.4 | Cc1ccc(-c2cccc(/C=C/C(=O)Nc3ccc(C[N+]4(C)CCCCC4)cc3)c2)cc1 | 10.1021/jm9906264 | ||
| CHEMBL1179236 | 11191 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 425 | 6 | 1 | 1 | 6.4 | Cc1ccc(-c2cccc(/C=C/C(=O)Nc3ccc(C[N+]4(C)CCCCC4)cc3)c2)cc1 | 10.1021/jm9906264 | ||
| CHEMBL65696 | 11191 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 425 | 6 | 1 | 1 | 6.4 | Cc1ccc(-c2cccc(/C=C/C(=O)Nc3ccc(C[N+]4(C)CCCCC4)cc3)c2)cc1 | 10.1021/jm9906264 | ||
| 16728617 | 91144 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 391 | 6 | 3 | 5 | 2.8 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccccc1[N+](=O)[O-] | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL240655 | 91144 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 391 | 6 | 3 | 5 | 2.8 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccccc1[N+](=O)[O-] | 10.1016/j.bmcl.2006.09.052 | ||
| 16728617 | 91144 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 391 | 6 | 3 | 5 | 2.8 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccccc1[N+](=O)[O-] | 10.1007/s00044-012-0118-7 | ||
| CHEMBL240655 | 91144 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 391 | 6 | 3 | 5 | 2.8 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccccc1[N+](=O)[O-] | 10.1007/s00044-012-0118-7 | ||
| 53318854 | 58161 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.2 | COC[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683072 | 58161 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.2 | COC[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 53389845 | 172392 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4517518 | 172392 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 44431962 | 87920 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 438 | 6 | 2 | 4 | 4.0 | NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL234896 | 87920 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 438 | 6 | 2 | 4 | 4.0 | NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| 44431959 | 146902 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 477 | 5 | 1 | 3 | 5.6 | OC1(C(F)(F)F)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL393004 | 146902 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 477 | 5 | 1 | 3 | 5.6 | OC1(C(F)(F)F)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1007/s00044-012-0118-7 | ||
| 44404692 | 71801 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 552 | 10 | 0 | 4 | 5.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL197907 | 71801 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 552 | 10 | 0 | 4 | 5.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 46882948 | 5702 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 541 | 7 | 0 | 7 | 4.4 | CCCCC1N(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| CHEMBL1078659 | 5702 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 541 | 7 | 0 | 7 | 4.4 | CCCCC1N(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| 44392110 | 63569 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 456 | 9 | 0 | 3 | 5.4 | COc1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL180498 | 63569 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 456 | 9 | 0 | 3 | 5.4 | COc1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.10.044 | ||
| 44392166 | 63622 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 504 | 8 | 0 | 2 | 6.1 | CN(C(=O)Cc1ccc(Br)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL180685 | 63622 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 504 | 8 | 0 | 2 | 6.1 | CN(C(=O)Cc1ccc(Br)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 44431962 | 87920 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 438 | 6 | 2 | 4 | 4.0 | NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL234896 | 87920 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 438 | 6 | 2 | 4 | 4.0 | NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| 44431959 | 146902 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 477 | 5 | 1 | 3 | 5.6 | OC1(C(F)(F)F)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL393004 | 146902 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 477 | 5 | 1 | 3 | 5.6 | OC1(C(F)(F)F)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| 44590441 | 178447 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 445 | 6 | 0 | 3 | 4.0 | Cc1cccc(C)c1C(=O)N1CCC(N2CC(N(Cc3ccccc3)C(=O)C3CC3)C2)CC1 | 10.1016/j.bmcl.2009.01.012 | ||
| CHEMBL471218 | 178447 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 445 | 6 | 0 | 3 | 4.0 | Cc1cccc(C)c1C(=O)N1CCC(N2CC(N(Cc3ccccc3)C(=O)C3CC3)C2)CC1 | 10.1016/j.bmcl.2009.01.012 | ||
| 16726107 | 83076 | 2 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 475 | 7 | 1 | 6 | 4.4 | Cc1ccc(CN2CCC(CNC(=O)C3CCN(c4ccc(-c5cccs5)nn4)CC3)C2)cc1 | 10.1021/jm061389p | ||
| CHEMBL220199 | 83076 | 2 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 475 | 7 | 1 | 6 | 4.4 | Cc1ccc(CN2CCC(CNC(=O)C3CCN(c4ccc(-c5cccs5)nn4)CC3)C2)cc1 | 10.1021/jm061389p | ||
| 5481754 | 204742 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 604 | 9 | 0 | 4 | 6.1 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1ccccc1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL88159 | 204742 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 604 | 9 | 0 | 4 | 6.1 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1ccccc1 | 10.1016/s0960-894x(00)00637-5 | ||
| 44392135 | 64791 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 440 | 8 | 0 | 3 | 5.0 | CN(C(=O)C(=O)c1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL182403 | 64791 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 440 | 8 | 0 | 3 | 5.0 | CN(C(=O)C(=O)c1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 44392115 | 65737 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 441 | 7 | 1 | 2 | 6.1 | Cc1cccc(NC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL183710 | 65737 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 441 | 7 | 1 | 2 | 6.1 | Cc1cccc(NC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1 | 10.1016/j.bmcl.2004.10.044 | ||
| 5481749 | 84989 | 1 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 630 | 8 | 0 | 4 | 6.4 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2c(c1)CCC2 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL2263647 | 84989 | 1 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 630 | 8 | 0 | 4 | 6.4 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2c(c1)CCC2 | 10.1007/s00044-011-9863-2 | ||
| 76308345 | 84842 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 630 | 9 | 1 | 6 | 5.5 | CN(C[C@@H](CCN1CCC2(CC1)CNC(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL2259884 | 84842 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 630 | 9 | 1 | 6 | 5.5 | CN(C[C@@H](CCN1CCC2(CC1)CNC(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 | 10.1007/s00044-011-9863-2 | ||
| 76327119 | 85165 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 339 | 4 | 0 | 2 | 4.7 | CN(C)c1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL2281962 | 85165 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 339 | 4 | 0 | 2 | 4.7 | CN(C)c1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| 11210440 | 87601 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 353 | 5 | 0 | 2 | 4.7 | CN(C)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL234461 | 87601 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 353 | 5 | 0 | 2 | 4.7 | CN(C)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| 16728635 | 91335 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 327 | 5 | 3 | 4 | 2.6 | N#Cc1ccc(OCc2ccc(Cl)cc2)c(/C=N/NC(=N)N)c1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL241057 | 91335 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 327 | 5 | 3 | 4 | 2.6 | N#Cc1ccc(OCc2ccc(Cl)cc2)c(/C=N/NC(=N)N)c1 | 10.1007/s00044-012-0118-7 | ||
| 16728609 | 166860 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 380 | 5 | 3 | 3 | 3.5 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL429641 | 166860 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 380 | 5 | 3 | 3 | 3.5 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| 5481859 | 203647 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 540 | 8 | 0 | 4 | 6.3 | CN(C[C@@H](CCN1CCC2(CC1)CSc1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL79716 | 203647 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 540 | 8 | 0 | 4 | 6.3 | CN(C[C@@H](CCN1CCC2(CC1)CSc1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| 5482457 | 204173 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 524 | 11 | 0 | 3 | 6.5 | CN(C[C@@H](CCN1CCC(CCc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL83882 | 204173 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 524 | 11 | 0 | 3 | 6.5 | CN(C[C@@H](CCN1CCC(CCc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| 44373926 | 51819 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 596 | 10 | 0 | 7 | 6.3 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@@H]2[C@@H](c3ccccc3)CN3O[C@H](c4ccccc4)C[C@@H]23)CC1 | 10.1016/s0960-894x(01)00835-6 | ||
| CHEMBL158754 | 51819 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 596 | 10 | 0 | 7 | 6.3 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@@H]2[C@@H](c3ccccc3)CN3O[C@H](c4ccccc4)C[C@@H]23)CC1 | 10.1016/s0960-894x(01)00835-6 | ||
| 183790 | 3685 | 8 | None | 3 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 783 | 3685 | 8 | None | 3 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL1178786 | 3685 | 8 | None | 3 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 25205923 | 7035 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 616 | 8 | 0 | 6 | 5.6 | CCO[C@H]1CC[C@H](CN2C[C@@H](c3ccccc3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)ncnc5C)CC4)CC3)C2=O)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| CHEMBL1085223 | 7035 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 616 | 8 | 0 | 6 | 5.6 | CCO[C@H]1CC[C@H](CN2C[C@@H](c3ccccc3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)ncnc5C)CC4)CC3)C2=O)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| 46888453 | 8677 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 473 | 7 | 1 | 3 | 4.7 | Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1096445 | 8677 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 473 | 7 | 1 | 3 | 4.7 | Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 46888525 | 8842 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 491 | 7 | 1 | 3 | 4.9 | Cc1cc(F)cc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1097815 | 8842 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 491 | 7 | 1 | 3 | 4.9 | Cc1cc(F)cc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 5479844 | 109960 | 1 | None | 1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 539 | 6 | 0 | 4 | 6.2 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL324643 | 109960 | 1 | None | 1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 539 | 6 | 0 | 4 | 6.2 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1016/j.bmcl.2010.03.095 | ||
| 505869 | 28055 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 486 | 8 | 0 | 4 | 5.4 | C=CCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL137419 | 28055 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 486 | 8 | 0 | 4 | 5.4 | C=CCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 11503459 | 83109 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 456 | 7 | 1 | 4 | 5.6 | Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 | 10.1021/acs.jmedchem.8b00180 | ||
| CHEMBL2203615 | 83109 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 456 | 7 | 1 | 4 | 5.6 | Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 | 10.1021/acs.jmedchem.8b00180 | ||
| 496973 | 167520 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 532 | 11 | 2 | 4 | 5.8 | O=C(O)Cc1cccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1 | 10.1016/s0960-894x(02)00605-4 | ||
| CHEMBL432596 | 167520 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 532 | 11 | 2 | 4 | 5.8 | O=C(O)Cc1cccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1 | 10.1016/s0960-894x(02)00605-4 | ||
| 496984 | 162901 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 9 | 1 | 4 | 5.5 | OC1(CCCc2cccnc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00605-4 | ||
| CHEMBL419895 | 162901 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 9 | 1 | 4 | 5.5 | OC1(CCCc2cccnc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00605-4 | ||
| 44573256 | 178440 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 553 | 6 | 1 | 4 | 7.0 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)NC2CCCCC2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL471149 | 178440 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 553 | 6 | 1 | 4 | 7.0 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)NC2CCCCC2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 11503459 | 83110 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 456 | 7 | 1 | 4 | 5.6 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 | 10.1111/j.1747-0285.2006.00376.x | ||
| CHEMBL2203616 | 83110 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 456 | 7 | 1 | 4 | 5.6 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 | 10.1111/j.1747-0285.2006.00376.x | ||
| 501054 | 4522 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 436 | 9 | 2 | 4 | 3.6 | O=C(O)CN1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL102674 | 4522 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 436 | 9 | 2 | 4 | 3.6 | O=C(O)CN1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 496984 | 162901 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 9 | 1 | 4 | 5.5 | OC1(CCCc2cccnc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL419895 | 162901 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 9 | 1 | 4 | 5.5 | OC1(CCCc2cccnc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 496973 | 167520 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 532 | 11 | 2 | 4 | 5.8 | O=C(O)Cc1cccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL432596 | 167520 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 532 | 11 | 2 | 4 | 5.8 | O=C(O)Cc1cccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1 | 10.1016/j.ejmech.2008.01.040 | ||
| 46880774 | 6156 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.2 | Cc1nnc(C)n1[C@H]1C[C@@H]2CN(CC[C@H](NC(=O)C3CC(F)(F)C3)c3cccc(F)c3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.01.080 | ||
| CHEMBL1081476 | 6156 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.2 | Cc1nnc(C)n1[C@H]1C[C@@H]2CN(CC[C@H](NC(=O)C3CC(F)(F)C3)c3cccc(F)c3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.01.080 | ||
| 46880774 | 6301 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.2 | Cc1nnc(C)n1[C@@H]1C[C@@H]2CN(CC[C@H](NC(=O)C3CC(F)(F)C3)c3cccc(F)c3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.01.080 | ||
| CHEMBL1082191 | 6301 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 7 | 1 | 5 | 4.2 | Cc1nnc(C)n1[C@@H]1C[C@@H]2CN(CC[C@H](NC(=O)C3CC(F)(F)C3)c3cccc(F)c3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.01.080 | ||
| 501054 | 4522 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 436 | 9 | 2 | 4 | 3.6 | O=C(O)CN1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| CHEMBL102674 | 4522 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 436 | 9 | 2 | 4 | 3.6 | O=C(O)CN1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00606-6 | ||
| 44461274 | 104390 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 645 | 13 | 0 | 5 | 7.0 | CCCN(C(=O)OCc1ccc(C(F)(F)F)cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL311052 | 104390 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 645 | 13 | 0 | 5 | 7.0 | CCCN(C(=O)OCc1ccc(C(F)(F)F)cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 478446 | 203651 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 590 | 13 | 1 | 4 | 6.1 | CCCN(C(=O)N[C@H](C)c1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL79770 | 203651 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 590 | 13 | 1 | 4 | 6.1 | CCCN(C(=O)N[C@H](C)c1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 44461713 | 203690 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 555 | 11 | 0 | 5 | 5.6 | COC(=O)N(CC1CCCCC1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL80043 | 203690 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 555 | 11 | 0 | 5 | 5.6 | COC(=O)N(CC1CCCCC1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 44415820 | 79857 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 468 | 7 | 1 | 4 | 5.6 | Cc1nc2ccccc2n1C1CC12CC1CCC2N1CC[C@H](NC(=O)C1CCC1)c1ccccc1 | 10.1016/j.bmcl.2006.06.012 | ||
| CHEMBL213914 | 79857 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 468 | 7 | 1 | 4 | 5.6 | Cc1nc2ccccc2n1C1CC12CC1CCC2N1CC[C@H](NC(=O)C1CCC1)c1ccccc1 | 10.1016/j.bmcl.2006.06.012 | ||
| 9827221 | 109214 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 497 | 4 | 0 | 3 | 5.4 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(Br)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| CHEMBL322817 | 109214 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 497 | 4 | 0 | 3 | 5.4 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(Br)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| 44461713 | 203690 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 555 | 11 | 0 | 5 | 5.6 | COC(=O)N(CC1CCCCC1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL80043 | 203690 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 555 | 11 | 0 | 5 | 5.6 | COC(=O)N(CC1CCCCC1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1007/s00044-012-0138-3 | ||
| 10280945 | 12731 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 517 | 9 | 1 | 4 | 5.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL1188557 | 12731 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 517 | 9 | 1 | 4 | 5.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL536743 | 12731 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 517 | 9 | 1 | 4 | 5.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| 10280945 | 12731 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 517 | 9 | 1 | 4 | 5.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL1188557 | 12731 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 517 | 9 | 1 | 4 | 5.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL536743 | 12731 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 517 | 9 | 1 | 4 | 5.9 | CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1021/jm060051s | ||
| 44564983 | 186475 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 515 | 8 | 1 | 7 | 3.8 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CCS(=O)(=O)CC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL491153 | 186475 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 515 | 8 | 1 | 7 | 3.8 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CCS(=O)(=O)CC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| 3010259 | 188580 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 526 | 8 | 2 | 4 | 6.0 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cnc(-c4ccccc4)[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL511154 | 188580 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 526 | 8 | 2 | 4 | 6.0 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cnc(-c4ccccc4)[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3010259 | 188580 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 526 | 8 | 2 | 4 | 6.0 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cnc(-c4ccccc4)[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL511154 | 188580 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 526 | 8 | 2 | 4 | 6.0 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cnc(-c4ccccc4)[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3010259 | 188580 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 526 | 8 | 2 | 4 | 6.0 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cnc(-c4ccccc4)[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL511154 | 188580 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 526 | 8 | 2 | 4 | 6.0 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cnc(-c4ccccc4)[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| 44404719 | 133724 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 548 | 11 | 0 | 5 | 5.2 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(OC)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL371691 | 133724 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 548 | 11 | 0 | 5 | 5.2 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(OC)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 44401765 | 67613 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 514 | 8 | 1 | 5 | 5.5 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(Cn3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL191139 | 67613 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 514 | 8 | 1 | 5 | 5.5 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(Cn3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 72711507 | 92262 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 525 | 9 | 1 | 4 | 5.2 | CCCN1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O | 10.1021/jm401101p | ||
| CHEMBL2435903 | 92262 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 525 | 9 | 1 | 4 | 5.2 | CCCN1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O | 10.1021/jm401101p | ||
| 5275839 | 165564 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 559 | 10 | 0 | 4 | 4.8 | CN(C[C@@](C)(CCN1CCC2C(CCN2C(=O)Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2004.12.044 | ||
| CHEMBL426048 | 165564 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 559 | 10 | 0 | 4 | 4.8 | CN(C[C@@](C)(CCN1CCC2C(CCN2C(=O)Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2004.12.044 | ||
| 489316 | 108556 | 2 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 458 | 9 | 0 | 2 | 7.0 | c1ccc(CCCC2CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(01)00652-7 | ||
| CHEMBL321267 | 108556 | 2 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 458 | 9 | 0 | 2 | 7.0 | c1ccc(CCCC2CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(01)00652-7 | ||
| 489305 | 164060 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 526 | 12 | 1 | 5 | 5.4 | CN(CC(CCN1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1cccs1 | 10.1016/s0960-894x(01)00652-7 | ||
| CHEMBL421598 | 164060 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 526 | 12 | 1 | 5 | 5.4 | CN(CC(CCN1CCC(O)(CCCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1cccs1 | 10.1016/s0960-894x(01)00652-7 | ||
| 49871007 | 58505 | 9 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 559 | 5 | 0 | 6 | 4.8 | CCO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/ml1001536 | ||
| CHEMBL1688243 | 58505 | 9 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 559 | 5 | 0 | 6 | 4.8 | CCO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/ml1001536 | ||
| 44447733 | 94657 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 469 | 5 | 0 | 5 | 5.1 | Cc1cccnc1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL255431 | 94657 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 469 | 5 | 0 | 5 | 5.1 | Cc1cccnc1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 505880 | 27514 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 519 | 10 | 1 | 6 | 4.9 | CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL137038 | 27514 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 519 | 10 | 1 | 6 | 4.9 | CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 505880 | 27514 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 519 | 10 | 1 | 6 | 4.9 | CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL137038 | 27514 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 519 | 10 | 1 | 6 | 4.9 | CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 16041224 | 92209 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 556 | 8 | 1 | 6 | 5.2 | O=C(O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4ccccc4)CC3)cn2)cc1 | 10.1021/jm401101p | ||
| CHEMBL2435850 | 92209 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 556 | 8 | 1 | 6 | 5.2 | O=C(O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4ccccc4)CC3)cn2)cc1 | 10.1021/jm401101p | ||
| 505880 | 27514 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 519 | 10 | 1 | 6 | 4.9 | CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL137038 | 27514 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 519 | 10 | 1 | 6 | 4.9 | CCCN(c1ncccn1)C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 11700429 | 103070 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 710 | 17 | 1 | 7 | 9.1 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCCN3CC(C)C)cc1 | 10.1021/jm0509703 | ||
| CHEMBL3085311 | 103070 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 710 | 17 | 1 | 7 | 9.1 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCCN3CC(C)C)cc1 | 10.1021/jm0509703 | ||
| 478352 | 11931 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 5.4 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)CCCO)cc2)CCO3)cc1 | 10.1021/jm9906264 | ||
| CHEMBL1183391 | 11931 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 5.4 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)CCCO)cc2)CCO3)cc1 | 10.1021/jm9906264 | ||
| CHEMBL294501 | 11931 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 5.4 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)CCCO)cc2)CCO3)cc1 | 10.1021/jm9906264 | ||
| 516358 | 177809 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 596 | 10 | 1 | 5 | 7.2 | CCn1nc(C(C)(C)c2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL465416 | 177809 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 596 | 10 | 1 | 5 | 7.2 | CCn1nc(C(C)(C)c2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44384705 | 120305 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 596 | 10 | 1 | 5 | 7.2 | CCn1ncc(C(C)(C)c2ccccc2)c1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL355749 | 120305 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 596 | 10 | 1 | 5 | 7.2 | CCn1ncc(C(C)(C)c2ccccc2)c1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| 516358 | 177809 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 596 | 10 | 1 | 5 | 7.2 | CCn1nc(C(C)(C)c2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL465416 | 177809 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 596 | 10 | 1 | 5 | 7.2 | CCn1nc(C(C)(C)c2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 496983 | 109367 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 9 | 1 | 4 | 5.5 | OC1(CCCc2ccccn2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL323370 | 109367 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 9 | 1 | 4 | 5.5 | OC1(CCCc2ccccn2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3010266 | 178524 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 500 | 9 | 2 | 4 | 5.0 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL471765 | 178524 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 500 | 9 | 2 | 4 | 5.0 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 489314 | 5336 | 2 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 585 | 10 | 0 | 5 | 6.9 | O=S(=O)(c1ccc(-c2ccccn2)s1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00652-7 | ||
| CHEMBL107170 | 5336 | 2 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 585 | 10 | 0 | 5 | 6.9 | O=S(=O)(c1ccc(-c2ccccn2)s1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00652-7 | ||
| 25206204 | 187789 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 610 | 7 | 0 | 7 | 4.7 | CCCCC1C(=O)N(CC2CCN(C(=O)OC)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| CHEMBL501383 | 187789 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 610 | 7 | 0 | 7 | 4.7 | CCCCC1C(=O)N(CC2CCN(C(=O)OC)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| 25230897 | 190842 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 548 | 7 | 0 | 6 | 3.5 | CCCCC1CN(S(=O)(=O)N(C)C)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| CHEMBL519298 | 190842 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 548 | 7 | 0 | 6 | 3.5 | CCCCC1CN(S(=O)(=O)N(C)C)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| 478502 | 105498 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 651 | 9 | 0 | 7 | 5.5 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL313071 | 105498 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 651 | 9 | 0 | 7 | 5.5 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 | 10.1016/s0960-894x(00)00637-5 | ||
| 5481748 | 111062 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 640 | 8 | 0 | 4 | 7.1 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL328024 | 111062 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 640 | 8 | 0 | 4 | 7.1 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 | 10.1016/s0960-894x(00)00637-5 | ||
| 478387 | 204926 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 596 | 8 | 0 | 5 | 6.0 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL89279 | 204926 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 596 | 8 | 0 | 5 | 6.0 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1 | 10.1016/s0960-894x(00)00637-5 | ||
| 44392161 | 63604 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 451 | 8 | 0 | 3 | 5.2 | CN(C(=O)Cc1ccc(C#N)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL180656 | 63604 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 451 | 8 | 0 | 3 | 5.2 | CN(C(=O)Cc1ccc(C#N)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 11157818 | 60568 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 613 | 9 | 1 | 4 | 8.1 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2cccc(Cl)c2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762320 | 60568 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 613 | 9 | 1 | 4 | 8.1 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2cccc(Cl)c2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 11204141 | 60576 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 594 | 9 | 1 | 5 | 7.2 | Cc1cccnc1OC(c1ccc(C(F)(F)F)cc1)C1CCN(C(C)CCNC(=O)c2c(Cl)cncc2Cl)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762333 | 60576 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 594 | 9 | 1 | 5 | 7.2 | Cc1cccnc1OC(c1ccc(C(F)(F)F)cc1)C1CCN(C(C)CCNC(=O)c2c(Cl)cncc2Cl)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 479871 | 106662 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 490 | 9 | 0 | 3 | 6.0 | Cc1ccc(C(CCN2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)cc1C | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL316189 | 106662 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 490 | 9 | 0 | 3 | 6.0 | Cc1ccc(C(CCN2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)cc1C | 10.1016/s0960-894x(00)00639-9 | ||
| 11210440 | 87601 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 353 | 5 | 0 | 2 | 4.7 | CN(C)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL234461 | 87601 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 353 | 5 | 0 | 2 | 4.7 | CN(C)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 16728612 | 90938 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 424 | 5 | 3 | 3 | 3.6 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL240260 | 90938 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 424 | 5 | 3 | 3 | 3.6 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 16728629 | 91140 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 336 | 5 | 3 | 3 | 3.4 | N=C(N)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL240639 | 91140 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 336 | 5 | 3 | 3 | 3.4 | N=C(N)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 16728635 | 91335 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 327 | 5 | 3 | 4 | 2.6 | N#Cc1ccc(OCc2ccc(Cl)cc2)c(/C=N/NC(=N)N)c1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL241057 | 91335 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 327 | 5 | 3 | 4 | 2.6 | N#Cc1ccc(OCc2ccc(Cl)cc2)c(/C=N/NC(=N)N)c1 | 10.1016/j.bmcl.2006.09.052 | ||
| 11210440 | 87601 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 353 | 5 | 0 | 2 | 4.7 | CN(C)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL234461 | 87601 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 353 | 5 | 0 | 2 | 4.7 | CN(C)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2007.01.050 | ||
| 3010251 | 14394 | 1 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 571 | 14 | 0 | 7 | 5.6 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(CC(C)S(=O)(=O)CC)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| CHEMBL120419 | 14394 | 1 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 571 | 14 | 0 | 7 | 5.6 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(CC(C)S(=O)(=O)CC)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| 3010250 | 113636 | 1 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 557 | 13 | 0 | 7 | 5.2 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(CC(C)S(C)(=O)=O)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| CHEMBL332908 | 113636 | 1 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 557 | 13 | 0 | 7 | 5.2 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(CC(C)S(C)(=O)=O)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| 44559501 | 172051 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 523 | 3 | 2 | 7 | 2.4 | CC(=O)O[C@@H]1[C@@H]2O[C@H]2[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]123 | 10.1021/np049974l | ||
| CHEMBL449278 | 172051 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 523 | 3 | 2 | 7 | 2.4 | CC(=O)O[C@@H]1[C@@H]2O[C@H]2[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]123 | 10.1021/np049974l | ||
| 16728629 | 91140 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 336 | 5 | 3 | 3 | 3.4 | N=C(N)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL240639 | 91140 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 336 | 5 | 3 | 3 | 3.4 | N=C(N)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 | 10.1007/s00044-012-0118-7 | ||
| 489325 | 162797 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 541 | 7 | 1 | 4 | 5.7 | O=C1CC2(CCN(CCC(CN3C(=O)N[C@H](c4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21 | 10.1016/s0960-894x(01)00654-0 | ||
| CHEMBL419172 | 162797 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 541 | 7 | 1 | 4 | 5.7 | O=C1CC2(CCN(CCC(CN3C(=O)N[C@H](c4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21 | 10.1016/s0960-894x(01)00654-0 | ||
| 46883025 | 5736 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 554 | 7 | 0 | 6 | 5.2 | CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ccnc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| CHEMBL1078936 | 5736 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 554 | 7 | 0 | 6 | 5.2 | CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ccnc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| 46882079 | 5537 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 605 | 7 | 0 | 7 | 5.3 | CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)C[C@@H]3CN(C(=O)c4c(C)cc(C#N)nc4C)C[C@@H]3C1)CC2 | 10.1016/j.bmcl.2010.02.004 | ||
| CHEMBL1077361 | 5537 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 605 | 7 | 0 | 7 | 5.3 | CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)C[C@@H]3CN(C(=O)c4c(C)cc(C#N)nc4C)C[C@@H]3C1)CC2 | 10.1016/j.bmcl.2010.02.004 | ||
| 11598797 | 12817 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 481 | 11 | 1 | 3 | 5.3 | CCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL1189134 | 12817 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 481 | 11 | 1 | 3 | 5.3 | CCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL538084 | 12817 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 481 | 11 | 1 | 3 | 5.3 | CCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| 489805 | 205621 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 439 | 5 | 1 | 2 | 5.8 | O=C(Nc1ccccc1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL93644 | 205621 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 439 | 5 | 1 | 2 | 5.8 | O=C(Nc1ccccc1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| 9909684 | 64605 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 413 | 7 | 0 | 3 | 4.8 | CN(C(=O)c1ccncc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL182266 | 64605 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 413 | 7 | 0 | 3 | 4.8 | CN(C(=O)c1ccncc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 44565037 | 192382 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 501 | 8 | 1 | 5 | 5.8 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL489324 | 192382 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 501 | 8 | 1 | 5 | 5.8 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL522259 | 192382 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 501 | 8 | 1 | 5 | 5.8 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| 46890341 | 7034 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 602 | 7 | 0 | 6 | 5.2 | CO[C@H]1CC[C@H](CN2C[C@@H](c3ccccc3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)ncnc5C)CC4)CC3)C2=O)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| CHEMBL1085222 | 7034 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 602 | 7 | 0 | 6 | 5.2 | CO[C@H]1CC[C@H](CN2C[C@@H](c3ccccc3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)ncnc5C)CC4)CC3)C2=O)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| 44392244 | 63454 | 3 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 455 | 9 | 1 | 2 | 5.9 | CCN(C(=O)NCc1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL180184 | 63454 | 3 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 455 | 9 | 1 | 2 | 5.9 | CCN(C(=O)NCc1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 72711048 | 92252 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 550 | 8 | 1 | 5 | 5.0 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(F)c2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435893 | 92252 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 550 | 8 | 1 | 5 | 5.0 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2cccc(F)c2)CC1 | 10.1021/jm401101p | ||
| 72712597 | 92235 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 474 | 6 | 1 | 3 | 4.8 | CNC(=O)c1ccc(CN2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)cc1 | 10.1021/jm401101p | ||
| CHEMBL2435876 | 92235 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 474 | 6 | 1 | 3 | 4.8 | CNC(=O)c1ccc(CN2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)cc1 | 10.1021/jm401101p | ||
| 44401593 | 70724 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 516 | 7 | 2 | 5 | 4.7 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL195199 | 70724 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 516 | 7 | 2 | 5 | 4.7 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 10840677 | 11175 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 528 | 15 | 1 | 1 | 10.2 | CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)/C=C/c2cccc(-c3ccc(C)cc3)c2)cc1 | 10.1021/jm9906264 | ||
| CHEMBL1179151 | 11175 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 528 | 15 | 1 | 1 | 10.2 | CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)/C=C/c2cccc(-c3ccc(C)cc3)c2)cc1 | 10.1021/jm9906264 | ||
| CHEMBL62454 | 11175 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 528 | 15 | 1 | 1 | 10.2 | CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)/C=C/c2cccc(-c3ccc(C)cc3)c2)cc1 | 10.1021/jm9906264 | ||
| 44401593 | 70724 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 516 | 7 | 2 | 5 | 4.7 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL195199 | 70724 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 516 | 7 | 2 | 5 | 4.7 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 44401593 | 70724 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 516 | 7 | 2 | 5 | 4.7 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL195199 | 70724 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 516 | 7 | 2 | 5 | 4.7 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44439155 | 91542 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 594 | 12 | 4 | 6 | 5.2 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL241497 | 91542 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 594 | 12 | 4 | 6 | 5.2 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 52947044 | 18086 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 559 | 8 | 0 | 6 | 3.0 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3cc(F)cc(F)c3)C3CN(S(=O)(=O)C4CC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| CHEMBL1270401 | 18086 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 559 | 8 | 0 | 6 | 3.0 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3cc(F)cc(F)c3)C3CN(S(=O)(=O)C4CC4)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| 25132253 | 102808 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 528 | 5 | 0 | 5 | 6.9 | Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 | 10.1021/jm800598a | ||
| CHEMBL3084491 | 102808 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 528 | 5 | 0 | 5 | 6.9 | Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 | 10.1021/jm800598a | ||
| 25133961 | 102810 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 562 | 7 | 0 | 5 | 7.3 | Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1 | 10.1021/jm800598a | ||
| CHEMBL3084493 | 102810 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 562 | 7 | 0 | 5 | 7.3 | Cc1nc2ccccc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1 | 10.1021/jm800598a | ||
| 44392103 | 64917 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 484 | 9 | 0 | 4 | 5.2 | COC(=O)c1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL182731 | 64917 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 484 | 9 | 0 | 4 | 5.2 | COC(=O)c1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.10.044 | ||
| 11606411 | 84884 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
| CHEMBL226066 | 84884 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
| 93149 | 106717 | 78 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1ccnc2c1ccc1cccnc12 | 10.1021/jm301121j | ||
| CHEMBL316589 | 106717 | 78 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1ccnc2c1ccc1cccnc12 | 10.1021/jm301121j | ||
| 25231041 | 188278 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 616 | 8 | 0 | 7 | 3.6 | CCCCC1CN(S(=O)(=O)C2CCN(C=O)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| CHEMBL506958 | 188278 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 616 | 8 | 0 | 7 | 3.6 | CCCCC1CN(S(=O)(=O)C2CCN(C=O)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| 44590862 | 190177 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 491 | 10 | 1 | 4 | 5.1 | CCN(C(=O)c1ccc(OC)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL518326 | 190177 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 491 | 10 | 1 | 4 | 5.1 | CCN(C(=O)c1ccc(OC)cc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 5481736 | 106200 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 568 | 8 | 0 | 3 | 6.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 | 10.1016/s0960-894x(01)00654-0 | ||
| CHEMBL314342 | 106200 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 568 | 8 | 0 | 3 | 6.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 | 10.1016/s0960-894x(01)00654-0 | ||
| 5481736 | 106200 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 568 | 8 | 0 | 3 | 6.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL314342 | 106200 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 568 | 8 | 0 | 3 | 6.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 | 10.1016/s0960-894x(00)00637-5 | ||
| 44590751 | 176323 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 490 | 9 | 1 | 3 | 5.5 | CCN(C(=O)N(C)c1ccccc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL461688 | 176323 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 490 | 9 | 1 | 3 | 5.5 | CCN(C(=O)N(C)c1ccccc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 25205600 | 7150 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 564 | 7 | 0 | 6 | 4.5 | CCCCC1CN(C2CCOCC2)C(=O)N1C1CCN(C2(C)CCN(C(=O)c3c(C)cc(C#N)nc3C)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| CHEMBL1085723 | 7150 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 564 | 7 | 0 | 6 | 4.5 | CCCCC1CN(C2CCOCC2)C(=O)N1C1CCN(C2(C)CCN(C(=O)c3c(C)cc(C#N)nc3C)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| 20664160 | 180328 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 504 | 8 | 1 | 5 | 5.0 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cn4ccccc4n3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL475777 | 180328 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 504 | 8 | 1 | 5 | 5.0 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cn4ccccc4n3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 20664160 | 180328 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 504 | 8 | 1 | 5 | 5.0 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cn4ccccc4n3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL475777 | 180328 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 504 | 8 | 1 | 5 | 5.0 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cn4ccccc4n3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 5482457 | 204173 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 524 | 11 | 0 | 3 | 6.5 | CN(C[C@@H](CCN1CCC(CCc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| CHEMBL83882 | 204173 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 524 | 11 | 0 | 3 | 6.5 | CN(C[C@@H](CCN1CCC(CCc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| 20664160 | 180328 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 504 | 8 | 1 | 5 | 5.0 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cn4ccccc4n3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL475777 | 180328 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 504 | 8 | 1 | 5 | 5.0 | O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cn4ccccc4n3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 72713859 | 92270 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 532 | 8 | 1 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435911 | 92270 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 532 | 8 | 1 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 44392124 | 64905 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 486 | 10 | 0 | 4 | 5.4 | COc1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1OC | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL182682 | 64905 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 486 | 10 | 0 | 4 | 5.4 | COc1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1OC | 10.1016/j.bmcl.2004.10.044 | ||
| 58282592 | 139431 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 409 | 6 | 0 | 3 | 6.2 | Cc1nc2ccccc2n1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.5b00497 | ||
| CHEMBL3799799 | 139431 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 409 | 6 | 0 | 3 | 6.2 | Cc1nc2ccccc2n1C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.5b00497 | ||
| 478413 | 203671 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 510 | 10 | 0 | 3 | 6.1 | CN(C[C@@H](CCN1CCC(Cc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL79958 | 203671 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 510 | 10 | 0 | 3 | 6.1 | CN(C[C@@H](CCN1CCC(Cc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| 44392153 | 64614 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 465 | 9 | 0 | 3 | 5.6 | CCN(C(=O)Cc1ccc(C#N)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL182279 | 64614 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 465 | 9 | 0 | 3 | 5.6 | CCN(C(=O)Cc1ccc(C#N)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 505874 | 28357 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 486 | 8 | 0 | 4 | 5.4 | C=CCN(c1ccncc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL137650 | 28357 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 486 | 8 | 0 | 4 | 5.4 | C=CCN(c1ccncc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 505874 | 28357 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 486 | 8 | 0 | 4 | 5.4 | C=CCN(c1ccncc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL137650 | 28357 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 486 | 8 | 0 | 4 | 5.4 | C=CCN(c1ccncc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 5275761 | 76765 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 609 | 10 | 1 | 5 | 5.0 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C(=O)O)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL207633 | 76765 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 609 | 10 | 1 | 5 | 5.0 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C(=O)O)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 505874 | 28357 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 486 | 8 | 0 | 4 | 5.4 | C=CCN(c1ccncc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL137650 | 28357 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 486 | 8 | 0 | 4 | 5.4 | C=CCN(c1ccncc1)C1CCN(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44392169 | 63531 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 444 | 8 | 0 | 2 | 5.5 | CN(C(=O)Cc1ccc(F)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL180334 | 63531 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 444 | 8 | 0 | 2 | 5.5 | CN(C(=O)Cc1ccc(F)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 474156 | 11184 | 2 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 453 | 5 | 1 | 2 | 6.2 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+]4(C)CCCCC4)cc2)CO3)cc1 | 10.1021/jm9906264 | ||
| CHEMBL1179200 | 11184 | 2 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 453 | 5 | 1 | 2 | 6.2 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+]4(C)CCCCC4)cc2)CO3)cc1 | 10.1021/jm9906264 | ||
| CHEMBL64591 | 11184 | 2 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 453 | 5 | 1 | 2 | 6.2 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+]4(C)CCCCC4)cc2)CO3)cc1 | 10.1021/jm9906264 | ||
| 93149 | 106717 | 78 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1ccnc2c1ccc1cccnc12 | 10.1021/jm301121j | ||
| CHEMBL316589 | 106717 | 78 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1ccnc2c1ccc1cccnc12 | 10.1021/jm301121j | ||
| 489806 | 111026 | 2 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 424 | 5 | 0 | 2 | 5.4 | O=C(c1ccccc1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00652-7 | ||
| CHEMBL327846 | 111026 | 2 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 424 | 5 | 0 | 2 | 5.4 | O=C(c1ccccc1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00652-7 | ||
| 11520510 | 103065 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 724 | 17 | 1 | 7 | 9.5 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCCCN3CC(C)C)cc1 | 10.1021/jm0509703 | ||
| CHEMBL3085305 | 103065 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 724 | 17 | 1 | 7 | 9.5 | CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCCCN3CC(C)C)cc1 | 10.1021/jm0509703 | ||
| 489806 | 111026 | 2 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 424 | 5 | 0 | 2 | 5.4 | O=C(c1ccccc1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL327846 | 111026 | 2 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 424 | 5 | 0 | 2 | 5.4 | O=C(c1ccccc1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| 478296 | 157378 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 522 | 8 | 0 | 4 | 4.6 | CN(CC(CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00232-3 | ||
| CHEMBL408438 | 157378 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 522 | 8 | 0 | 4 | 4.6 | CN(CC(CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00232-3 | ||
| 10208679 | 12733 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@H]([C@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL1188565 | 12733 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@H]([C@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL536751 | 12733 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 493 | 9 | 2 | 5 | 4.0 | CCCCN1C(=O)[C@H]([C@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| 11342750 | 5618 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 539 | 7 | 0 | 6 | 5.4 | CCCCC1CN(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| CHEMBL1078013 | 5618 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 539 | 7 | 0 | 6 | 5.4 | CCCCC1CN(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| 44392148 | 64952 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 483 | 9 | 1 | 3 | 5.3 | CC(=O)Nc1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL182878 | 64952 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 483 | 9 | 1 | 3 | 5.3 | CC(=O)Nc1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.10.044 | ||
| 44392203 | 65743 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 456 | 9 | 0 | 3 | 5.4 | COc1cccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL183769 | 65743 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 456 | 9 | 0 | 3 | 5.4 | COc1cccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1 | 10.1016/j.bmcl.2004.10.044 | ||
| 44392160 | 123170 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 440 | 8 | 0 | 2 | 5.9 | CC(C(=O)N(C)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL362168 | 123170 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 440 | 8 | 0 | 2 | 5.9 | CC(C(=O)N(C)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2004.10.044 | ||
| 483354 | 11706 | 2 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 576 | 12 | 0 | 5 | 6.7 | CCN(C(=O)OCc1ccccc1)C1CCN(CCC(C)(CC(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| CHEMBL118196 | 11706 | 2 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 576 | 12 | 0 | 5 | 6.7 | CCN(C(=O)OCc1ccccc1)C1CCN(CCC(C)(CC(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| 44373767 | 168075 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 472 | 7 | 0 | 3 | 6.8 | c1ccc(CCCC2CCN(C[C@@H]3[C@@H](c4ccccc4)CN4OC5(CCCCC5)C[C@@H]34)CC2)cc1 | 10.1016/s0960-894x(01)00835-6 | ||
| CHEMBL436245 | 168075 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 472 | 7 | 0 | 3 | 6.8 | c1ccc(CCCC2CCN(C[C@@H]3[C@@H](c4ccccc4)CN4OC5(CCCCC5)C[C@@H]34)CC2)cc1 | 10.1016/s0960-894x(01)00835-6 | ||
| 44392084 | 64610 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 462 | 8 | 0 | 2 | 5.7 | CN(C(=O)Cc1ccc(F)c(F)c1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL182274 | 64610 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 462 | 8 | 0 | 2 | 5.7 | CN(C(=O)Cc1ccc(F)c(F)c1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 16728623 | 89871 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 376 | 6 | 3 | 4 | 2.9 | COc1ccc(COc2ccc(Br)cc2/C=N/NC(=N)N)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL238545 | 89871 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 376 | 6 | 3 | 4 | 2.9 | COc1ccc(COc2ccc(Br)cc2/C=N/NC(=N)N)cc1 | 10.1007/s00044-012-0118-7 | ||
| 478502 | 105498 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 651 | 9 | 0 | 7 | 5.5 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL313071 | 105498 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 651 | 9 | 0 | 7 | 5.5 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-011-9863-2 | ||
| 5481727 | 203643 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 497 | 9 | 0 | 4 | 5.0 | CN(C[C@@H](CCN1CCN(c2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL79697 | 203643 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 497 | 9 | 0 | 4 | 5.0 | CN(C[C@@H](CCN1CCN(c2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| 5481702 | 204109 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL83338 | 204109 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| 76315544 | 84843 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 630 | 9 | 1 | 6 | 6.1 | CN(C[C@@H](CCN1CCC2(CC1)CC(=O)Nc1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL2259885 | 84843 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 630 | 9 | 1 | 6 | 6.1 | CN(C[C@@H](CCN1CCC2(CC1)CC(=O)Nc1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 | 10.1007/s00044-011-9863-2 | ||
| 489341 | 4884 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 633 | 13 | 2 | 5 | 6.1 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CCC(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00654-0 | ||
| 489341 | 4884 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 633 | 13 | 2 | 5 | 6.1 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CCC(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| CHEMBL104793 | 4884 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 633 | 13 | 2 | 5 | 6.1 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CCC(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00654-0 | ||
| CHEMBL104793 | 4884 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 633 | 13 | 2 | 5 | 6.1 | C=CCN(C(=O)OCc1ccccc1)C1CCN(CCC(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00655-2 | ||
| 46888456 | 8725 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 459 | 7 | 1 | 3 | 4.4 | Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1096768 | 8725 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 459 | 7 | 1 | 3 | 4.4 | Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 46888545 | 8771 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 474 | 7 | 1 | 4 | 4.1 | Cc1ccnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1097169 | 8771 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 474 | 7 | 1 | 4 | 4.1 | Cc1ccnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 20664141 | 78596 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 533 | 8 | 1 | 6 | 5.0 | Cc1cc(C)n2ncc(C3CCN(C[C@H]4CN([C@H](CC5CCC5)C(=O)O)C[C@@H]4c4cccc(F)c4)CC3)c2n1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL2113084 | 78596 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 533 | 8 | 1 | 6 | 5.0 | Cc1cc(C)n2ncc(C3CCN(C[C@H]4CN([C@H](CC5CCC5)C(=O)O)C[C@@H]4c4cccc(F)c4)CC3)c2n1 | 10.1016/j.bmcl.2005.02.030 | ||
| 496983 | 109367 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 9 | 1 | 4 | 5.5 | OC1(CCCc2ccccn2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00605-4 | ||
| CHEMBL323370 | 109367 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 9 | 1 | 4 | 5.5 | OC1(CCCc2ccccn2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00605-4 | ||
| 10461319 | 168920 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 606 | 8 | 1 | 7 | 6.5 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(C(=O)O)c2ccc3c(c2)OCO3)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL443106 | 168920 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 606 | 8 | 1 | 7 | 6.5 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(C(=O)O)c2ccc3c(c2)OCO3)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 44573255 | 169985 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 527 | 5 | 1 | 4 | 6.4 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)NC(C)(C)C)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL445003 | 169985 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 527 | 5 | 1 | 4 | 6.4 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)NC(C)(C)C)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 44573337 | 187625 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 592 | 9 | 1 | 6 | 6.8 | COc1ccc(C(C(=O)O)N2CCC(CCN3[C@H]4CC[C@@H]3C[C@H](n3c(C)nc5ccccc53)C4)(c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL499109 | 187625 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 592 | 9 | 1 | 6 | 6.8 | COc1ccc(C(C(=O)O)N2CCC(CCN3[C@H]4CC[C@@H]3C[C@H](n3c(C)nc5ccccc53)C4)(c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2009.02.014 | ||
| 10325578 | 188265 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 564 | 6 | 0 | 6 | 6.7 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(/C(=N\C#N)OC2CCCC2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL506795 | 188265 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 564 | 6 | 0 | 6 | 6.7 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(/C(=N\C#N)OC2CCCC2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 496983 | 109367 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 9 | 1 | 4 | 5.5 | OC1(CCCc2ccccn2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL323370 | 109367 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 9 | 1 | 4 | 5.5 | OC1(CCCc2ccccn2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 3010266 | 178524 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 500 | 9 | 2 | 4 | 5.0 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL471765 | 178524 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 500 | 9 | 2 | 4 | 5.0 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.ejmech.2008.01.040 | ||
| 46882947 | 5606 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 539 | 7 | 0 | 6 | 5.5 | CCCCC1N(CC2CCCCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| CHEMBL1077912 | 5606 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 539 | 7 | 0 | 6 | 5.5 | CCCCC1N(CC2CCCCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| 46880848 | 7469 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 455 | 7 | 1 | 6 | 3.5 | Cc1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCOC1)c1cccc(F)c1 | 10.1016/j.bmcl.2010.01.080 | ||
| CHEMBL1087534 | 7469 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 455 | 7 | 1 | 6 | 3.5 | Cc1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCOC1)c1cccc(F)c1 | 10.1016/j.bmcl.2010.01.080 | ||
| 3010266 | 178524 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 500 | 9 | 2 | 4 | 5.0 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| CHEMBL471765 | 178524 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 500 | 9 | 2 | 4 | 5.0 | CC(C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cnc(Cc4ccccc4)[nH]3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2004.04.078 | ||
| 5275829 | 204309 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 563 | 12 | 0 | 5 | 5.6 | CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL85086 | 204309 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 563 | 12 | 0 | 5 | 5.6 | CCN(C(=O)OCc1ccccc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| 44404709 | 71724 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 576 | 11 | 0 | 6 | 5.0 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(C(=O)OC)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL197680 | 71724 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 576 | 11 | 0 | 6 | 5.0 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(C(=O)OC)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 10008425 | 102814 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 580 | 5 | 0 | 4 | 7.8 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)C(C)(C)C)CC1 | 10.1021/jm800598a | ||
| CHEMBL3084497 | 102814 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 580 | 5 | 0 | 4 | 7.8 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)C(C)(C)C)CC1 | 10.1021/jm800598a | ||
| 44590557 | 175788 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 487 | 8 | 1 | 5 | 5.4 | Cc1nnc(C(C)C)n1C1CCN(CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL459571 | 175788 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 487 | 8 | 1 | 5 | 5.4 | Cc1nnc(C(C)C)n1C1CCN(CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 516348 | 127294 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 576 | 8 | 2 | 4 | 7.2 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(-c4cccc5ccccc45)[nH]n3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL366439 | 127294 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 576 | 8 | 2 | 4 | 7.2 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(-c4cccc5ccccc45)[nH]n3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2003.12.004 | ||
| 516347 | 129218 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 551 | 8 | 2 | 5 | 5.9 | N#Cc1ccc(-c2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C5CCCCC5)C[C@@H]4c4ccccc4)CC3)n[nH]2)cc1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL367446 | 129218 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 551 | 8 | 2 | 5 | 5.9 | N#Cc1ccc(-c2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C5CCCCC5)C[C@@H]4c4ccccc4)CC3)n[nH]2)cc1 | 10.1016/j.bmcl.2003.12.004 | ||
| 72711741 | 92218 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 579 | 9 | 1 | 4 | 6.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(CC3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435859 | 92218 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 579 | 9 | 1 | 4 | 6.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(CC3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 44404657 | 133006 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 593 | 11 | 1 | 5 | 5.3 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccc(NC(C)=O)cc2)c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL370826 | 133006 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 593 | 11 | 1 | 5 | 5.3 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccc(NC(C)=O)cc2)c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 25231038 | 171868 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 616 | 9 | 0 | 6 | 5.2 | CCCCC1C(=O)N(CC2CCN(CC(F)F)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| CHEMBL447808 | 171868 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 616 | 9 | 0 | 6 | 5.2 | CCCCC1C(=O)N(CC2CCN(CC(F)F)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| 478499 | 204776 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 624 | 8 | 0 | 4 | 6.6 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc(Cl)c1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL88344 | 204776 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 624 | 8 | 0 | 4 | 6.6 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc(Cl)c1 | 10.1016/s0960-894x(00)00637-5 | ||
| 44322729 | 205083 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 629 | 8 | 1 | 4 | 6.4 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2[nH]ccc2c1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL90385 | 205083 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 629 | 8 | 1 | 4 | 6.4 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc2[nH]ccc2c1 | 10.1016/s0960-894x(00)00637-5 | ||
| 11250534 | 60580 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 614 | 9 | 1 | 5 | 7.5 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2cc(Cl)ccn2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762337 | 60580 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 614 | 9 | 1 | 5 | 7.5 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2cc(Cl)ccn2)c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 478412 | 167407 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 526 | 10 | 0 | 4 | 6.0 | COc1ccccc1C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1016/s0960-894x(01)00491-7 | ||
| CHEMBL431795 | 167407 | 1 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 526 | 10 | 0 | 4 | 6.0 | COc1ccccc1C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1016/s0960-894x(01)00491-7 | ||
| 44415783 | 79654 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 382 | 7 | 1 | 5 | 3.6 | Cc1nc(C2CCN(CC[C@H](NC(=O)C3CCC3)c3ccccc3)CC2)no1 | 10.1016/j.bmcl.2006.06.012 | ||
| CHEMBL213009 | 79654 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 382 | 7 | 1 | 5 | 3.6 | Cc1nc(C2CCN(CC[C@H](NC(=O)C3CCC3)c3ccccc3)CC2)no1 | 10.1016/j.bmcl.2006.06.012 | ||
| 16728623 | 89871 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 376 | 6 | 3 | 4 | 2.9 | COc1ccc(COc2ccc(Br)cc2/C=N/NC(=N)N)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL238545 | 89871 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 376 | 6 | 3 | 4 | 2.9 | COc1ccc(COc2ccc(Br)cc2/C=N/NC(=N)N)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 5481727 | 203643 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 497 | 9 | 0 | 4 | 5.0 | CN(C[C@@H](CCN1CCN(c2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| CHEMBL79697 | 203643 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 497 | 9 | 0 | 4 | 5.0 | CN(C[C@@H](CCN1CCN(c2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00491-7 | ||
| 56754672 | 122483 | 6 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 363 | 6 | 1 | 5 | 3.2 | COc1ncc(CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2)cn1 | 10.1021/acsmedchemlett.5b00036 | ||
| CHEMBL3608771 | 122483 | 6 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 363 | 6 | 1 | 5 | 3.2 | COc1ncc(CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2)cn1 | 10.1021/acsmedchemlett.5b00036 | ||
| 12093170 | 859 | 27 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.9b00742 | ||
| 9431 | 859 | 27 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4519152 | 859 | 27 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.9b00742 | ||
| 25133270 | 169917 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 594 | 7 | 0 | 5 | 5.9 | CN1CN(c2ccccc2)C2(CCN(CCCC3(c4ccc(Cl)c(Cl)c4)CCN(C(=O)c4ccco4)C3)CC2)C1=O | 10.1021/jm800598a | ||
| CHEMBL444915 | 169917 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 594 | 7 | 0 | 5 | 5.9 | CN1CN(c2ccccc2)C2(CCN(CCCC3(c4ccc(Cl)c(Cl)c4)CCN(C(=O)c4ccco4)C3)CC2)C1=O | 10.1021/jm800598a | ||
| 50992246 | 58163 | 2 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683074 | 58163 | 2 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 9873546 | 77683 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 566 | 8 | 1 | 2 | 7.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| CHEMBL209899 | 77683 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 566 | 8 | 1 | 2 | 7.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| 23285265 | 111821 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 512 | 9 | 0 | 3 | 6.5 | CN(CC(CCN1CCC(c2ccccc2)CC1)c1ccc2ccccc2c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL329190 | 111821 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 512 | 9 | 0 | 3 | 6.5 | CN(CC(CCN1CCC(c2ccccc2)CC1)c1ccc2ccccc2c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 44392154 | 65769 | 3 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 430 | 7 | 0 | 2 | 5.6 | CN(C(=O)c1ccc(F)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL183907 | 65769 | 3 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 430 | 7 | 0 | 2 | 5.6 | CN(C(=O)c1ccc(F)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 483351 | 112852 | 1 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 633 | 15 | 0 | 7 | 7.0 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(CC(CC)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| CHEMBL331754 | 112852 | 1 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 633 | 15 | 0 | 7 | 7.0 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(CC(CC)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| 44590863 | 176144 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 461 | 9 | 1 | 3 | 5.0 | CCN(C(=O)c1ccccc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL460008 | 176144 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 461 | 9 | 1 | 3 | 5.0 | CCN(C(=O)c1ccccc1)C1CCN(C(C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.009 | ||
| 11578088 | 77773 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 612 | 9 | 1 | 5 | 4.4 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(NC(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL210327 | 77773 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 612 | 9 | 1 | 5 | 4.4 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(NC(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 57335017 | 69995 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1944776 | 69995 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| 44573127 | 186643 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 508 | 7 | 1 | 5 | 5.9 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL492503 | 186643 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 508 | 7 | 1 | 5 | 5.9 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(Cc2ncc[nH]2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 44404645 | 72118 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 673 | 13 | 1 | 6 | 6.0 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL198884 | 72118 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 673 | 13 | 1 | 6 | 6.0 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 44392218 | 64228 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 390 | 7 | 0 | 2 | 4.9 | CN(C(=O)C1CCC1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL181502 | 64228 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 390 | 7 | 0 | 2 | 4.9 | CN(C(=O)C1CCC1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 52942078 | 18160 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 505 | 6 | 0 | 6 | 3.8 | COC(=O)N1CCC(C(CCN2C[C@H]3CN(C(=O)c4c(C)ncnc4C)C[C@H]3C2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.08.118 | ||
| CHEMBL1270900 | 18160 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 505 | 6 | 0 | 6 | 3.8 | COC(=O)N1CCC(C(CCN2C[C@H]3CN(C(=O)c4c(C)ncnc4C)C[C@H]3C2)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.08.118 | ||
| 16728647 | 149043 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 406 | 5 | 2 | 5 | 3.6 | Clc1ccc(COc2ccc(Br)cc2/C=N/NC2=NCCN2)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL394685 | 149043 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 406 | 5 | 2 | 5 | 3.6 | Clc1ccc(COc2ccc(Br)cc2/C=N/NC2=NCCN2)cc1 | 10.1007/s00044-012-0118-7 | ||
| 478447 | 204079 | 1 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 590 | 13 | 1 | 4 | 6.1 | CCCN(C(=O)N[C@@H](C)c1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL83113 | 204079 | 1 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 590 | 13 | 1 | 4 | 6.1 | CCCN(C(=O)N[C@@H](C)c1ccccc1)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/s0960-894x(01)00492-9 | ||
| 16728647 | 149043 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 406 | 5 | 2 | 5 | 3.6 | Clc1ccc(COc2ccc(Br)cc2/C=N/NC2=NCCN2)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL394685 | 149043 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 406 | 5 | 2 | 5 | 3.6 | Clc1ccc(COc2ccc(Br)cc2/C=N/NC2=NCCN2)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 489810 | 106637 | 2 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 458 | 5 | 0 | 2 | 6.1 | O=C(c1ccc(Cl)cc1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL316073 | 106637 | 2 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 458 | 5 | 0 | 2 | 6.1 | O=C(c1ccc(Cl)cc1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| 44570270 | 169742 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 567 | 7 | 1 | 6 | 4.8 | CCCCC1C(=O)N(C[C@H]2CC[C@H](O)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| CHEMBL444667 | 169742 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 567 | 7 | 1 | 6 | 4.8 | CCCCC1C(=O)N(C[C@H]2CC[C@H](O)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| 44392096 | 131263 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 518 | 10 | 0 | 4 | 5.2 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL369311 | 131263 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 518 | 10 | 0 | 4 | 5.2 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 11787124 | 5620 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 541 | 7 | 0 | 7 | 4.2 | CCCCC1CN(CC2CCOCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| CHEMBL1078015 | 5620 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 541 | 7 | 0 | 7 | 4.2 | CCCCC1CN(CC2CCOCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| 516315 | 129666 | 1 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1nc(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1Cc1ccccc1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL367894 | 129666 | 1 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCn1nc(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1Cc1ccccc1 | 10.1016/j.bmcl.2003.12.004 | ||
| 44404601 | 134966 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 586 | 10 | 0 | 4 | 6.5 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL372852 | 134966 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 586 | 10 | 0 | 4 | 6.5 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 489340 | 107352 | 1 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 669 | 12 | 2 | 5 | 6.8 | CCN(C(=O)OCc1ccccc1)C1CCN(CCC(C)(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2cccc(Cl)c2)CC1 | 10.1016/s0960-894x(01)00654-0 | ||
| CHEMBL319233 | 107352 | 1 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 669 | 12 | 2 | 5 | 6.8 | CCN(C(=O)OCc1ccccc1)C1CCN(CCC(C)(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c2cccc(Cl)c2)CC1 | 10.1016/s0960-894x(01)00654-0 | ||
| 72713859 | 92270 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 532 | 8 | 1 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435911 | 92270 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 532 | 8 | 1 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 53318853 | 58148 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683059 | 58148 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 44392123 | 129406 | 4 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 426 | 8 | 0 | 2 | 5.4 | CN(C(=O)Cc1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL367586 | 129406 | 4 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 426 | 8 | 0 | 2 | 5.4 | CN(C(=O)Cc1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 25130901 | 102818 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 582 | 5 | 0 | 5 | 7.8 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)C1 | 10.1021/jm800598a | ||
| CHEMBL3084501 | 102818 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 582 | 5 | 0 | 5 | 7.8 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)C1 | 10.1021/jm800598a | ||
| 25231105 | 173528 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 630 | 7 | 0 | 7 | 4.0 | CCCCC1CN(S(=O)(=O)C2CCN(C(C)=O)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| CHEMBL454493 | 173528 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 630 | 7 | 0 | 7 | 4.0 | CCCCC1CN(S(=O)(=O)C2CCN(C(C)=O)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| 44404697 | 134248 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 586 | 10 | 0 | 4 | 6.5 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL371865 | 134248 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 586 | 10 | 0 | 4 | 6.5 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 44455180 | 97485 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 478 | 8 | 1 | 5 | 5.4 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)NC1CCCC1)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| CHEMBL272556 | 97485 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 478 | 8 | 1 | 5 | 5.4 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)NC1CCCC1)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| 516319 | 59722 | 1 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCc1cc(Cc2ccccc2)n(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL173609 | 59722 | 1 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 568 | 10 | 1 | 5 | 6.4 | CCc1cc(Cc2ccccc2)n(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 | 10.1016/j.bmcl.2003.12.004 | ||
| 11598 | 666 | 6 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
| 23725177 | 666 | 6 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
| CHEMBL4442783 | 666 | 6 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
| 11598 | 666 | 6 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00082 | ||
| 23725177 | 666 | 6 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4442783 | 666 | 6 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00082 | ||
| 5481737 | 106067 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 570 | 7 | 0 | 4 | 6.8 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)C(=O)Oc1ccccc1 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL314124 | 106067 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 570 | 7 | 0 | 4 | 6.8 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)C(=O)Oc1ccccc1 | 10.1016/s0960-894x(00)00637-5 | ||
| 44392116 | 122002 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 494 | 8 | 0 | 2 | 6.7 | CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL360120 | 122002 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 494 | 8 | 0 | 2 | 6.7 | CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 16073659 | 72199 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 554 | 10 | 0 | 4 | 5.4 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL199147 | 72199 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 554 | 10 | 0 | 4 | 5.4 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 16073659 | 72199 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 554 | 10 | 0 | 4 | 5.4 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| CHEMBL199147 | 72199 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 554 | 10 | 0 | 4 | 5.4 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2006.03.089 | ||
| 72711277 | 92256 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 560 | 8 | 1 | 5 | 5.5 | Cc1cc(C)cc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 | 10.1021/jm401101p | ||
| CHEMBL2435897 | 92256 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 560 | 8 | 1 | 5 | 5.5 | Cc1cc(C)cc(C2CN(C3CCCCC3)C(=O)N2C2CCN(C(C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 | 10.1021/jm401101p | ||
| 44392095 | 123298 | 4 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 402 | 7 | 0 | 3 | 5.0 | CN(C(=O)c1ccco1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL362388 | 123298 | 4 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 402 | 7 | 0 | 3 | 5.0 | CN(C(=O)c1ccco1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 77281926 | 187204 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 447 | 5 | 4 | 5 | 3.4 | C/C=C(\C)[C@@H]1CC[C@@H]2C[C@H](C)C[C@H](C)[C@H]2[C@@H]1/C(O)=C1/C(=O)N[C@H](C[C@@](C)(O)C(=O)O)C1=O | 10.1021/np060121y | ||
| CHEMBL495854 | 187204 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 447 | 5 | 4 | 5 | 3.4 | C/C=C(\C)[C@@H]1CC[C@@H]2C[C@H](C)C[C@H](C)[C@H]2[C@@H]1/C(O)=C1/C(=O)N[C@H](C[C@@](C)(O)C(=O)O)C1=O | 10.1021/np060121y | ||
| 57400375 | 70716 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 681 | 12 | 0 | 8 | 3.2 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cccc(S(C)(=O)=O)c2)C2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951910 | 70716 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 681 | 12 | 0 | 8 | 3.2 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cccc(S(C)(=O)=O)c2)C2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 44461804 | 204234 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 631 | 13 | 0 | 5 | 7.2 | CN(C[C@@H](CCN1CCC(N(CC2CCCCC2)C(=O)OCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-012-0138-3 | ||
| CHEMBL84351 | 204234 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 631 | 13 | 0 | 5 | 7.2 | CN(C[C@@H](CCN1CCC(N(CC2CCCCC2)C(=O)OCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-012-0138-3 | ||
| 3209888 | 137073 | 4 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 452 | 6 | 0 | 6 | 4.0 | Fc1ccc(Cn2nnnc2C(c2ccccc2F)N2CCN(C3CCCCC3)CC2)cc1 | 10.1021/jm061389p | ||
| CHEMBL375591 | 137073 | 4 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 452 | 6 | 0 | 6 | 4.0 | Fc1ccc(Cn2nnnc2C(c2ccccc2F)N2CCN(C3CCCCC3)CC2)cc1 | 10.1021/jm061389p | ||
| 667748 | 83372 | 78 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 267 | 2 | 0 | 3 | 3.9 | Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1 | 10.1021/jm301121j | ||
| CHEMBL2205805 | 83372 | 78 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 267 | 2 | 0 | 3 | 3.9 | Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1 | 10.1021/jm301121j | ||
| 25133618 | 186696 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 586 | 6 | 1 | 5 | 7.0 | CC(C)(C)OC(=O)N1CCC(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm800598a | ||
| CHEMBL492854 | 186696 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 586 | 6 | 1 | 5 | 7.0 | CC(C)(C)OC(=O)N1CCC(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm800598a | ||
| 1474 | 153865 | 133 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 156 | 1 | 0 | 2 | 2.1 | c1ccc(-c2ccccn2)nc1 | 10.1021/jm301121j | ||
| CHEMBL39879 | 153865 | 133 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 156 | 1 | 0 | 2 | 2.1 | c1ccc(-c2ccccn2)nc1 | 10.1021/jm301121j | ||
| 478501 | 105499 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 651 | 9 | 0 | 7 | 5.5 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL313072 | 105499 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 651 | 9 | 0 | 7 | 5.5 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 | 10.1007/s00044-011-9863-2 | ||
| 16728611 | 152170 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 364 | 5 | 3 | 3 | 3.0 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL397296 | 152170 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 364 | 5 | 3 | 3 | 3.0 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1 | 10.1007/s00044-012-0118-7 | ||
| 44374016 | 52116 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 472 | 7 | 0 | 3 | 6.8 | c1ccc(CCCC2CCN(C[C@H]3CN4OC5(CCCCC5)C[C@H]4[C@@H]3c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(01)00835-6 | ||
| CHEMBL159018 | 52116 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 472 | 7 | 0 | 3 | 6.8 | c1ccc(CCCC2CCN(C[C@H]3CN4OC5(CCCCC5)C[C@H]4[C@@H]3c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(01)00835-6 | ||
| 46890343 | 7038 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 588 | 7 | 0 | 6 | 4.8 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CCC4CCOCC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| CHEMBL1085226 | 7038 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 588 | 7 | 0 | 6 | 4.8 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CCC4CCOCC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| 46888480 | 8724 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 481 | 7 | 1 | 3 | 4.9 | Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)c3ccccc3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1096766 | 8724 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 481 | 7 | 1 | 3 | 4.9 | Cc1cccc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)c3ccccc3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 72711956 | 92221 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 588 | 9 | 1 | 5 | 5.7 | Cc1ccncc1CN1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O | 10.1021/jm401101p | ||
| CHEMBL2435862 | 92221 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 588 | 9 | 1 | 5 | 5.7 | Cc1ccncc1CN1C[C@@H](c2ccccc2)N(C2CCN(C(C)CCNC(=O)c3c(C)cc(Cl)nc3C)CC2)C1=O | 10.1021/jm401101p | ||
| 25256857 | 169235 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 562 | 8 | 1 | 5 | 6.8 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(C(=O)O)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| CHEMBL443936 | 169235 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 562 | 8 | 1 | 5 | 6.8 | Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(C(=O)O)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.02.014 | ||
| 11641131 | 83107 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 458 | 7 | 1 | 4 | 5.8 | Cc1nc2ccccc2n1[C@H]1C[C@H](C)N(CC[C@H](NC(=O)C2CCC2)c2ccccc2)[C@H](C)C1 | 10.1111/j.1747-0285.2006.00376.x | ||
| CHEMBL2203613 | 83107 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 458 | 7 | 1 | 4 | 5.8 | Cc1nc2ccccc2n1[C@H]1C[C@H](C)N(CC[C@H](NC(=O)C2CCC2)c2ccccc2)[C@H](C)C1 | 10.1111/j.1747-0285.2006.00376.x | ||
| 23650547 | 178501 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 459 | 6 | 0 | 3 | 4.4 | Cc1cccc(C)c1C(=O)N1CCC(N2CC[C@@H](N(Cc3ccccc3)C(=O)C3CC3)C2)CC1 | 10.1016/j.bmcl.2009.01.012 | ||
| CHEMBL471623 | 178501 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 459 | 6 | 0 | 3 | 4.4 | Cc1cccc(C)c1C(=O)N1CCC(N2CC[C@@H](N(Cc3ccccc3)C(=O)C3CC3)C2)CC1 | 10.1016/j.bmcl.2009.01.012 | ||
| 46866599 | 6306 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 503 | 7 | 1 | 5 | 5.0 | Cc1nnc(C)n1[C@@H]1C[C@@H]2CN(CC[C@H](NC(=O)C3CCC(F)(F)CC3)c3cccc(F)c3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.01.080 | ||
| CHEMBL1082202 | 6306 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 503 | 7 | 1 | 5 | 5.0 | Cc1nnc(C)n1[C@@H]1C[C@@H]2CN(CC[C@H](NC(=O)C3CCC(F)(F)CC3)c3cccc(F)c3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.01.080 | ||
| 52946506 | 18181 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 541 | 7 | 0 | 6 | 3.1 | Cc1cc(=O)oc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| CHEMBL1271108 | 18181 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 541 | 7 | 0 | 6 | 3.1 | Cc1cc(=O)oc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| 10278617 | 94739 | 2 | None | - | 0 | Crab-eating macaque | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL255858 | 94739 | 2 | None | - | 0 | Crab-eating macaque | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 499 | 5 | 0 | 5 | 4.6 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 20664159 | 71091 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 501 | 7 | 1 | 6 | 4.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3nnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| CHEMBL196087 | 71091 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 501 | 7 | 1 | 6 | 4.8 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(n3nnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 | 10.1016/j.bmcl.2005.02.030 | ||
| 491775 | 12768 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL1188807 | 12768 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| CHEMBL537424 | 12768 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1016/j.bmcl.2006.10.084 | ||
| 53325460 | 58186 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 538 | 6 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683190 | 58186 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 538 | 6 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 44404596 | 71936 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 552 | 10 | 0 | 4 | 5.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL198277 | 71936 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 552 | 10 | 0 | 4 | 5.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 59458159 | 92267 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 567 | 8 | 1 | 5 | 5.0 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435908 | 92267 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 567 | 8 | 1 | 5 | 5.0 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 57391720 | 70706 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 672 | 12 | 0 | 7 | 3.6 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccccc2)N2CCN(S(=O)(=O)CC(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951899 | 70706 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 672 | 12 | 0 | 7 | 3.6 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccccc2)N2CCN(S(=O)(=O)CC(F)(F)F)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 3011723 | 70711 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 615 | 12 | 0 | 5 | 6.0 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)C2CCN(Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951904 | 70711 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 615 | 12 | 0 | 5 | 6.0 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)C2CCN(Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 5275762 | 76740 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 608 | 10 | 1 | 5 | 4.4 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C(N)=O)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| CHEMBL207485 | 76740 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 608 | 10 | 1 | 5 | 4.4 | CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C(N)=O)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm051034q | ||
| 54585964 | 62547 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 546 | 7 | 0 | 4 | 7.0 | CCc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm200279v | ||
| CHEMBL1784404 | 62547 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 546 | 7 | 0 | 4 | 7.0 | CCc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 | 10.1021/jm200279v | ||
| 505866 | 28212 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 475 | 7 | 0 | 4 | 4.7 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)N3CCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL137524 | 28212 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 475 | 7 | 0 | 4 | 4.7 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)N3CCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 25230971 | 177002 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 547 | 7 | 0 | 7 | 3.2 | CCCOC1CN(S(=O)(=O)C2CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| CHEMBL464055 | 177002 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 547 | 7 | 0 | 7 | 3.2 | CCCOC1CN(S(=O)(=O)C2CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 | 10.1016/j.bmcl.2008.10.115 | ||
| 489331 | 5186 | 2 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 554 | 9 | 2 | 3 | 6.3 | O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1CC(CCN1CCC(c2ccccc2)CC1)c1cccc(Cl)c1 | 10.1016/s0960-894x(01)00654-0 | ||
| CHEMBL106381 | 5186 | 2 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 554 | 9 | 2 | 3 | 6.3 | O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1CC(CCN1CCC(c2ccccc2)CC1)c1cccc(Cl)c1 | 10.1016/s0960-894x(01)00654-0 | ||
| 5481745 | 204763 | 1 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 624 | 8 | 0 | 4 | 6.6 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1Cl | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL88261 | 204763 | 1 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 624 | 8 | 0 | 4 | 6.6 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1Cl | 10.1016/s0960-894x(00)00637-5 | ||
| 46883026 | 5708 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 570 | 7 | 0 | 6 | 4.5 | CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| CHEMBL1078710 | 5708 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 570 | 7 | 0 | 6 | 4.5 | CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| 5481867 | 111519 | 1 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 582 | 8 | 0 | 7 | 4.0 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL328898 | 111519 | 1 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 582 | 8 | 0 | 7 | 4.0 | CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 479883 | 204750 | 2 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 476 | 9 | 0 | 3 | 5.7 | Cc1cccc(C(CCN2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)c1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL88197 | 204750 | 2 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 476 | 9 | 0 | 3 | 5.7 | Cc1cccc(C(CCN2CCC(c3ccccc3)CC2)CN(C)S(=O)(=O)c2ccccc2)c1 | 10.1016/s0960-894x(00)00639-9 | ||
| 44392105 | 65269 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 460 | 8 | 0 | 2 | 6.0 | CN(C(=O)Cc1ccc(Cl)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL183293 | 65269 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 460 | 8 | 0 | 2 | 6.0 | CN(C(=O)Cc1ccc(Cl)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 16728611 | 152170 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 364 | 5 | 3 | 3 | 3.0 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL397296 | 152170 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 364 | 5 | 3 | 3 | 3.0 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 44461804 | 204234 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 631 | 13 | 0 | 5 | 7.2 | CN(C[C@@H](CCN1CCC(N(CC2CCCCC2)C(=O)OCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00492-9 | ||
| CHEMBL84351 | 204234 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 631 | 13 | 0 | 5 | 7.2 | CN(C[C@@H](CCN1CCC(N(CC2CCCCC2)C(=O)OCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(01)00492-9 | ||
| 10445499 | 178310 | 1 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 264 | 0 | 2 | 5 | 2.4 | CC1OC(=O)c2c3c(c(O)c(O)c21)OC(C)(C)CC3 | 10.1021/np030146m | ||
| CHEMBL469856 | 178310 | 1 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 264 | 0 | 2 | 5 | 2.4 | CC1OC(=O)c2c3c(c(O)c(O)c21)OC(C)(C)CC3 | 10.1021/np030146m | ||
| 24794585 | 178944 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 478 | 5 | 2 | 6 | 2.6 | CC(=O)N[C@@H]1C[C@H](N(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4741305 | 178944 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 478 | 5 | 2 | 6 | 2.6 | CC(=O)N[C@@H]1C[C@H](N(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| 10585 | 1061 | 1 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 145996522 | 1061 | 1 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4531005 | 1061 | 1 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 44392123 | 129406 | 4 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 426 | 8 | 0 | 2 | 5.4 | CN(C(=O)Cc1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL367586 | 129406 | 4 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 426 | 8 | 0 | 2 | 5.4 | CN(C(=O)Cc1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 57391591 | 69997 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 637 | 10 | 4 | 6 | 3.8 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1944778 | 69997 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 637 | 10 | 4 | 6 | 3.8 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| 489829 | 205691 | 2 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 444 | 6 | 0 | 2 | 6.4 | Clc1cccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CN2CCC(c3ccccc3)CC2)c1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL94032 | 205691 | 2 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 444 | 6 | 0 | 2 | 6.4 | Clc1cccc([C@H]2CN(Cc3ccccc3)C[C@@H]2CN2CCC(c3ccccc3)CC2)c1 | 10.1016/s0960-894x(01)00545-5 | ||
| 667748 | 83372 | 78 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 267 | 2 | 0 | 3 | 3.9 | Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1 | 10.1021/jm301121j | ||
| CHEMBL2205805 | 83372 | 78 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 267 | 2 | 0 | 3 | 3.9 | Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1 | 10.1021/jm301121j | ||
| 11597 | 667 | 3 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00082 | ||
| 23725180 | 667 | 3 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4781426 | 667 | 3 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00082 | ||
| 3011721 | 70709 | 1 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 567 | 11 | 0 | 6 | 4.4 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCC(C(C)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| CHEMBL1951902 | 70709 | 1 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 567 | 11 | 0 | 6 | 4.4 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)N2CCC(C(C)=O)CC2)CC1 | 10.1016/j.bmcl.2011.12.117 | ||
| 491775 | 12768 | 1 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL1188807 | 12768 | 1 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL537424 | 12768 | 1 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 477 | 9 | 1 | 4 | 5.0 | CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2 | 10.1021/jm060051s | ||
| 76327118 | 85160 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 380 | 5 | 3 | 3 | 3.5 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1cccc(Cl)c1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL2281957 | 85160 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 380 | 5 | 3 | 3 | 3.5 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1cccc(Cl)c1 | 10.1007/s00044-012-0118-7 | ||
| 25205601 | 6370 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 540 | 7 | 0 | 6 | 4.0 | CCCCC1CN(C2CCOCC2)C(=O)N1C1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| CHEMBL1082487 | 6370 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 540 | 7 | 0 | 6 | 4.0 | CCCCC1CN(C2CCOCC2)C(=O)N1C1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| 16728609 | 166860 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 380 | 5 | 3 | 3 | 3.5 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL429641 | 166860 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 380 | 5 | 3 | 3 | 3.5 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 474152 | 11919 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 439 | 8 | 1 | 1 | 6.7 | CC[N+](CC)(CC)Cc1ccc(NC(=O)C2=Cc3cc(-c4ccccc4)ccc3CC2)cc1 | 10.1021/jm9906264 | ||
| CHEMBL1183357 | 11919 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 439 | 8 | 1 | 1 | 6.7 | CC[N+](CC)(CC)Cc1ccc(NC(=O)C2=Cc3cc(-c4ccccc4)ccc3CC2)cc1 | 10.1021/jm9906264 | ||
| CHEMBL292345 | 11919 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 439 | 8 | 1 | 1 | 6.7 | CC[N+](CC)(CC)Cc1ccc(NC(=O)C2=Cc3cc(-c4ccccc4)ccc3CC2)cc1 | 10.1021/jm9906264 | ||
| 483364 | 154695 | 1 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 619 | 14 | 0 | 7 | 6.6 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@@H](C[C@@H](C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| CHEMBL402701 | 154695 | 1 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 619 | 14 | 0 | 7 | 6.6 | C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@@H](C[C@@H](C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| 10585 | 1061 | 1 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 145996522 | 1061 | 1 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4531005 | 1061 | 1 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 1474 | 153865 | 133 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 156 | 1 | 0 | 2 | 2.1 | c1ccc(-c2ccccn2)nc1 | 10.1021/jm301121j | ||
| CHEMBL39879 | 153865 | 133 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 156 | 1 | 0 | 2 | 2.1 | c1ccc(-c2ccccn2)nc1 | 10.1021/jm301121j | ||
| 5481750 | 204903 | 1 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 591 | 8 | 0 | 5 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccnc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL89167 | 204903 | 1 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 591 | 8 | 0 | 5 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccnc1 | 10.1007/s00044-011-9863-2 | ||
| 44404720 | 134696 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 594 | 11 | 0 | 4 | 6.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL372297 | 134696 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 594 | 11 | 0 | 4 | 6.8 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 72712597 | 92235 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 474 | 6 | 1 | 3 | 4.8 | CNC(=O)c1ccc(CN2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)cc1 | 10.1021/jm401101p | ||
| CHEMBL2435876 | 92235 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 474 | 6 | 1 | 3 | 4.8 | CNC(=O)c1ccc(CN2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)cc1 | 10.1021/jm401101p | ||
| 44564884 | 178732 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 465 | 8 | 1 | 5 | 4.9 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)CC(F)(F)F)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL473352 | 178732 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 465 | 8 | 1 | 5 | 4.9 | Cc1nnc(C(C)C)n1C1CCN(C(C)C[C@H](NC(=O)CC(F)(F)F)c2ccccc2)CC1 | 10.1016/j.bmcl.2009.01.008 | ||
| 478494 | 204913 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 528 | 7 | 0 | 4 | 4.5 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(C)(=O)=O | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL89221 | 204913 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 528 | 7 | 0 | 4 | 4.5 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(C)(=O)=O | 10.1016/s0960-894x(00)00637-5 | ||
| 16728642 | 90780 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 350 | 5 | 3 | 3 | 3.8 | C/C(=N/NC(=N)N)c1cc(Cl)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL240018 | 90780 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 350 | 5 | 3 | 3 | 3.8 | C/C(=N/NC(=N)N)c1cc(Cl)ccc1OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 11259200 | 87686 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 437 | 6 | 1 | 3 | 5.0 | O=C(O)C1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| CHEMBL234676 | 87686 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 437 | 6 | 1 | 3 | 5.0 | O=C(O)C1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.01.050 | ||
| 25133619 | 192708 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 532 | 6 | 1 | 5 | 5.2 | CC(C)(C)OC(=O)N1CCC(CCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccccc2)CC1 | 10.1021/jm800598a | ||
| CHEMBL524159 | 192708 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 532 | 6 | 1 | 5 | 5.2 | CC(C)(C)OC(=O)N1CCC(CCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccccc2)CC1 | 10.1021/jm800598a | ||
| 44373748 | 54663 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 531 | 7 | 0 | 5 | 6.2 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@@H]2[C@@H](c3ccccc3)CN3OC4(CCCCC4)C[C@@H]23)CC1 | 10.1016/s0960-894x(01)00835-6 | ||
| CHEMBL161480 | 54663 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 531 | 7 | 0 | 5 | 6.2 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@@H]2[C@@H](c3ccccc3)CN3OC4(CCCCC4)C[C@@H]23)CC1 | 10.1016/s0960-894x(01)00835-6 | ||
| 10281316 | 73374 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018386 | 73374 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1016/j.bmcl.2012.03.007 | ||
| 44373748 | 54663 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 531 | 7 | 0 | 5 | 6.2 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@@H]2[C@@H](c3ccccc3)CN3OC4(CCCCC4)C[C@@H]23)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL161480 | 54663 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 531 | 7 | 0 | 5 | 6.2 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@@H]2[C@@H](c3ccccc3)CN3OC4(CCCCC4)C[C@@H]23)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 44373748 | 54663 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 531 | 7 | 0 | 5 | 6.2 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@@H]2[C@@H](c3ccccc3)CN3OC4(CCCCC4)C[C@@H]23)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL161480 | 54663 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 531 | 7 | 0 | 5 | 6.2 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@@H]2[C@@H](c3ccccc3)CN3OC4(CCCCC4)C[C@@H]23)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 11634966 | 12769 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 481 | 11 | 1 | 3 | 5.3 | CCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL1188808 | 12769 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 481 | 11 | 1 | 3 | 5.3 | CCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| CHEMBL537425 | 12769 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 481 | 11 | 1 | 3 | 5.3 | CCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2 | 10.1021/jm060051s | ||
| 483348 | 15122 | 2 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 562 | 12 | 0 | 5 | 6.5 | CCN(C(=O)OCc1ccccc1)C1CCN(CCC(CC(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| CHEMBL121321 | 15122 | 2 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 562 | 12 | 0 | 5 | 6.5 | CCN(C(=O)OCc1ccccc1)C1CCN(CCC(CC(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.03.112 | ||
| 44392078 | 64026 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 418 | 7 | 0 | 3 | 5.5 | CN(C(=O)c1cccs1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL181260 | 64026 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 418 | 7 | 0 | 3 | 5.5 | CN(C(=O)c1cccs1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 16728628 | 89888 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 421 | 7 | 3 | 6 | 2.8 | COc1ccc([N+](=O)[O-])cc1COc1ccc(Br)cc1/C=N/NC(=N)N | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL238549 | 89888 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 421 | 7 | 3 | 6 | 2.8 | COc1ccc([N+](=O)[O-])cc1COc1ccc(Br)cc1/C=N/NC(=N)N | 10.1016/j.bmcl.2006.09.052 | ||
| 16728628 | 89888 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 421 | 7 | 3 | 6 | 2.8 | COc1ccc([N+](=O)[O-])cc1COc1ccc(Br)cc1/C=N/NC(=N)N | 10.1007/s00044-012-0118-7 | ||
| CHEMBL238549 | 89888 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 421 | 7 | 3 | 6 | 2.8 | COc1ccc([N+](=O)[O-])cc1COc1ccc(Br)cc1/C=N/NC(=N)N | 10.1007/s00044-012-0118-7 | ||
| 483350 | 14469 | 2 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 576 | 13 | 0 | 5 | 6.9 | CCC(CC(CCN1CCC(N(CC)C(=O)OCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2004.03.112 | ||
| CHEMBL120513 | 14469 | 2 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 576 | 13 | 0 | 5 | 6.9 | CCC(CC(CCN1CCC(N(CC)C(=O)OCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2004.03.112 | ||
| 10290194 | 78616 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 651 | 11 | 1 | 6 | 6.7 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccc(NC(=O)OC(C)(C)C)cc2)c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL2113131 | 78616 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 651 | 11 | 1 | 6 | 6.7 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccc(NC(=O)OC(C)(C)C)cc2)c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 11215950 | 5619 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 539 | 7 | 0 | 5 | 5.4 | CCCCC1CN(CC2CCOCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| CHEMBL1078014 | 5619 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 539 | 7 | 0 | 5 | 5.4 | CCCCC1CN(CC2CCOCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| 489816 | 205390 | 2 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 500 | 6 | 0 | 2 | 7.1 | O=C(c1ccccc1-c1ccccc1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL92133 | 205390 | 2 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 500 | 6 | 0 | 2 | 7.1 | O=C(c1ccccc1-c1ccccc1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| 44564835 | 178731 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 397 | 7 | 1 | 5 | 4.0 | CC(=O)N[C@@H](CC(C)N1CCC(n2c(C)nnc2C(C)C)CC1)c1ccccc1 | 10.1016/j.bmcl.2009.01.008 | ||
| CHEMBL473348 | 178731 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 397 | 7 | 1 | 5 | 4.0 | CC(=O)N[C@@H](CC(C)N1CCC(n2c(C)nnc2C(C)C)CC1)c1ccccc1 | 10.1016/j.bmcl.2009.01.008 | ||
| 16728615 | 150173 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 391 | 6 | 3 | 5 | 2.8 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL395607 | 150173 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 391 | 6 | 3 | 5 | 2.8 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 | 10.1007/s00044-012-0118-7 | ||
| 5481711 | 204237 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 522 | 8 | 0 | 3 | 6.1 | CN(C[C@@H](CCN1CCC2(CCc3ccccc32)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| CHEMBL84374 | 204237 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 522 | 8 | 0 | 3 | 6.1 | CN(C[C@@H](CCN1CCC2(CCc3ccccc32)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1007/s00044-011-9863-2 | ||
| 46888584 | 8555 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 529 | 8 | 1 | 5 | 3.9 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CC(F)(F)C3)c3cccc(F)c3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1095191 | 8555 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 529 | 8 | 1 | 5 | 3.9 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CC(F)(F)C3)c3cccc(F)c3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 46888499 | 8650 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 493 | 7 | 1 | 3 | 5.1 | Cc1cccc(Cl)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| CHEMBL1096102 | 8650 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 493 | 7 | 1 | 3 | 5.1 | Cc1cccc(Cl)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.03.095 | ||
| 505870 | 27420 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 500 | 8 | 0 | 4 | 5.6 | O=C(C1CCCCC1)N1C[C@H](CN2CCC(N(CC3CC3)c3ccccn3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL136977 | 27420 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 500 | 8 | 0 | 4 | 5.6 | O=C(C1CCCCC1)N1C[C@H](CN2CCC(N(CC3CC3)c3ccccn3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(02)00988-5 | ||
| 505866 | 28212 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 475 | 7 | 0 | 4 | 4.7 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)N3CCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| CHEMBL137524 | 28212 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 475 | 7 | 0 | 4 | 4.7 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)N3CCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(02)00988-5 | ||
| 72711742 | 92219 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 573 | 9 | 1 | 4 | 6.0 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccccc3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435860 | 92219 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 573 | 9 | 1 | 4 | 6.0 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3ccccc3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 11626984 | 83106 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 472 | 7 | 1 | 5 | 4.8 | Cc1nc2ccccc2n1[C@@H]1C[C@H]2COC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 | 10.1111/j.1747-0285.2006.00376.x | ||
| CHEMBL2203612 | 83106 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 472 | 7 | 1 | 5 | 4.8 | Cc1nc2ccccc2n1[C@@H]1C[C@H]2COC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1 | 10.1111/j.1747-0285.2006.00376.x | ||
| 505866 | 28212 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 475 | 7 | 0 | 4 | 4.7 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)N3CCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| CHEMBL137524 | 28212 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 475 | 7 | 0 | 4 | 4.7 | CCCN(c1ccccn1)C1CCN(C[C@H]2CN(C(=O)N3CCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.ejmech.2008.01.040 | ||
| 516350 | 59037 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 612 | 8 | 2 | 4 | 7.5 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(-c4ccc(Cl)cc4Cl)[nH]n3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL170717 | 59037 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 612 | 8 | 2 | 4 | 7.5 | O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(-c4ccc(Cl)cc4Cl)[nH]n3)CC2)[C@@H](c2cccc(F)c2)C1 | 10.1016/j.bmcl.2003.12.004 | ||
| 516341 | 131019 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 596 | 12 | 1 | 5 | 7.0 | CCCn1cc(CCc2ccccc2)c(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL369189 | 131019 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 596 | 12 | 1 | 5 | 7.0 | CCCn1cc(CCc2ccccc2)c(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 | 10.1016/j.bmcl.2003.12.004 | ||
| 516330 | 130363 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 626 | 12 | 1 | 7 | 6.0 | CCOC(=O)Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| CHEMBL368517 | 130363 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 626 | 12 | 1 | 7 | 6.0 | CCOC(=O)Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1016/j.bmcl.2003.12.004 | ||
| 5275837 | 63182 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 575 | 10 | 0 | 5 | 5.4 | CN(C[C@@](C)(CCN1CCC2C(CCN2C(=O)OCc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2004.12.044 | ||
| CHEMBL180013 | 63182 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 575 | 10 | 0 | 5 | 5.4 | CN(C[C@@](C)(CCN1CCC2C(CCN2C(=O)OCc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2004.12.044 | ||
| 490012 | 111016 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 511 | 9 | 0 | 4 | 6.0 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2CN(Cc3ccccc3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL327801 | 111016 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 511 | 9 | 0 | 4 | 6.0 | CCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2CN(Cc3ccccc3)C[C@@H]2c2ccccc2)CC1 | 10.1016/s0960-894x(01)00545-5 | ||
| 44404658 | 135555 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 629 | 12 | 1 | 6 | 4.7 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccc(NS(C)(=O)=O)cc2)c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| CHEMBL373214 | 135555 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 629 | 12 | 1 | 6 | 4.7 | CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccc(NS(C)(=O)=O)cc2)c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2005.08.014 | ||
| 73347894 | 92222 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 574 | 9 | 1 | 5 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3cccnc3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435863 | 92222 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 574 | 9 | 1 | 5 | 5.4 | Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(Cc3cccnc3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 73346388 | 92237 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 566 | 8 | 1 | 4 | 6.6 | CNC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| CHEMBL2435878 | 92237 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 566 | 8 | 1 | 4 | 6.6 | CNC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1 | 10.1021/jm401101p | ||
| 72714079 | 92245 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 565 | 8 | 1 | 4 | 6.1 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435886 | 92245 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 565 | 8 | 1 | 4 | 6.1 | Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 44447731 | 94656 | 0 | None | - | 0 | Crab-eating macaque | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 482 | 5 | 0 | 4 | 6.0 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccncc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| CHEMBL255430 | 94656 | 0 | None | - | 0 | Crab-eating macaque | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 482 | 5 | 0 | 4 | 6.0 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3ccncc3)CC2)CC1 | 10.1016/j.bmcl.2008.01.108 | ||
| 456319 | 202377 | 1 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 539 | 6 | 0 | 5 | 5.7 | Cc1ccccc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| CHEMBL70124 | 202377 | 1 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 539 | 6 | 0 | 5 | 5.7 | Cc1ccccc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| 25206069 | 7030 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 560 | 5 | 0 | 6 | 4.2 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C4CCOCC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| CHEMBL1085218 | 7030 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 560 | 5 | 0 | 6 | 4.2 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C4CCOCC4)C[C@H]3c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.04.077 | ||
| 5481751 | 106490 | 1 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 641 | 8 | 0 | 5 | 6.5 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc2cccnc12 | 10.1016/s0960-894x(00)00637-5 | ||
| CHEMBL315084 | 106490 | 1 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 641 | 8 | 0 | 5 | 6.5 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc2cccnc12 | 10.1016/s0960-894x(00)00637-5 | ||
| 479846 | 205393 | 1 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 590 | 8 | 0 | 4 | 5.9 | CN(CC(CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL92147 | 205393 | 1 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 590 | 8 | 0 | 4 | 5.9 | CN(CC(CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 16728615 | 150173 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 391 | 6 | 3 | 5 | 2.8 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL395607 | 150173 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 391 | 6 | 3 | 5 | 2.8 | N=C(N)N/N=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 6480205 | 190855 | 3 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 368 | 2 | 0 | 2 | 5.8 | C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)CC(=O)[C@H]4/C(C=O)=C\C[C@H]3[C@H]12 | 10.1021/np049844c | ||
| CHEMBL519317 | 190855 | 3 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 368 | 2 | 0 | 2 | 5.8 | C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)CC(=O)[C@H]4/C(C=O)=C\C[C@H]3[C@H]12 | 10.1021/np049844c | ||
| 72713861 | 92241 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 532 | 8 | 1 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435882 | 92241 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 532 | 8 | 1 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccccc2)CC1 | 10.1021/jm401101p | ||
| 72711280 | 92259 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 533 | 8 | 1 | 6 | 4.3 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccccn2)CC1 | 10.1021/jm401101p | ||
| CHEMBL2435900 | 92259 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 533 | 8 | 1 | 6 | 4.3 | Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C3CCCCC3)CC2c2ccccn2)CC1 | 10.1021/jm401101p | ||
| 44392074 | 64433 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 505 | 9 | 1 | 4 | 4.0 | CN(C(=O)Cc1ccc(S(N)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| CHEMBL181913 | 64433 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 505 | 9 | 1 | 4 | 4.0 | CN(C(=O)Cc1ccc(S(N)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2004.10.044 | ||
| 10008921 | 187768 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 612 | 8 | 1 | 5 | 5.1 | O=C1NCN(c2ccccc2)C12CCN(CCCC1(c3ccc(Cl)c(Cl)c3)CN(S(=O)(=O)c3ccccc3)C1)CC2 | 10.1021/jm800598a | ||
| CHEMBL501077 | 187768 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 612 | 8 | 1 | 5 | 5.1 | O=C1NCN(c2ccccc2)C12CCN(CCCC1(c3ccc(Cl)c(Cl)c3)CN(S(=O)(=O)c3ccccc3)C1)CC2 | 10.1021/jm800598a | ||
| 46882073 | 5531 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 571 | 5 | 0 | 6 | 4.7 | CCO[C@H]1Cc2cc(C(F)(F)F)ccc2[C@@H]1N1CCN(C2C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C2)C[C@@H]1C | 10.1016/j.bmcl.2010.02.004 | ||
| CHEMBL1077353 | 5531 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 571 | 5 | 0 | 6 | 4.7 | CCO[C@H]1Cc2cc(C(F)(F)F)ccc2[C@@H]1N1CCN(C2C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C2)C[C@@H]1C | 10.1016/j.bmcl.2010.02.004 | ||
| 73352463 | 92205 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 553 | 8 | 1 | 4 | 7.0 | O=C(O)c1cccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)c1 | 10.1021/jm401101p | ||
| CHEMBL2435846 | 92205 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 553 | 8 | 1 | 4 | 7.0 | O=C(O)c1cccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)c1 | 10.1021/jm401101p | ||
| 16655051 | 85163 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 385 | 5 | 3 | 4 | 3.1 | C/C(=N\NC(=N)N)c1cc(Br)ccc1OCc1ccc(C#N)cc1 | 10.1007/s00044-012-0118-7 | ||
| CHEMBL2281960 | 85163 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 385 | 5 | 3 | 4 | 3.1 | C/C(=N\NC(=N)N)c1cc(Br)ccc1OCc1ccc(C#N)cc1 | 10.1007/s00044-012-0118-7 | ||
| 44439313 | 91534 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 415 | 6 | 3 | 5 | 3.1 | COc1cc(Br)cc(/C(C)=N/NC(=N)N)c1OCc1ccc(C#N)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| CHEMBL241475 | 91534 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 415 | 6 | 3 | 5 | 3.1 | COc1cc(Br)cc(/C(C)=N/NC(=N)N)c1OCc1ccc(C#N)cc1 | 10.1016/j.bmcl.2006.09.052 | ||
| 52947748 | 18037 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 525 | 8 | 0 | 6 | 2.9 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CN(S(=O)(=O)C(C)C)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| CHEMBL1270101 | 18037 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 525 | 8 | 0 | 6 | 2.9 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CN(S(=O)(=O)C(C)C)C3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| 25132946 | 187123 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 576 | 7 | 1 | 4 | 5.5 | O=C1CC(CCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 | 10.1021/jm800598a | ||
| CHEMBL495291 | 187123 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 576 | 7 | 1 | 4 | 5.5 | O=C1CC(CCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 | 10.1021/jm800598a | ||
| 25130571 | 187125 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 498 | 6 | 1 | 5 | 3.9 | O=C(c1ccco1)N1CCC(CCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccccc2)C1 | 10.1021/jm800598a | ||
| CHEMBL495298 | 187125 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 498 | 6 | 1 | 5 | 3.9 | O=C(c1ccco1)N1CCC(CCN2CCC3(CC2)C(=O)NCN3c2ccccc2)(c2ccccc2)C1 | 10.1021/jm800598a | ||
| 489809 | 205675 | 2 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 458 | 5 | 0 | 2 | 6.1 | O=C(c1cccc(Cl)c1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL93949 | 205675 | 2 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 458 | 5 | 0 | 2 | 6.1 | O=C(c1cccc(Cl)c1)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| 44590946 | 175829 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 424 | 8 | 1 | 5 | 4.8 | CC(C)c1noc(C2CCN(C(C)C[C@H](NC(=O)C3CCC3)c3ccccc3)CC2)n1 | 10.1016/j.bmcl.2009.01.009 | ||
| CHEMBL459600 | 175829 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 424 | 8 | 1 | 5 | 4.8 | CC(C)c1noc(C2CCN(C(C)C[C@H](NC(=O)C3CCC3)c3ccccc3)CC2)n1 | 10.1016/j.bmcl.2009.01.009 | ||
| 44455143 | 154712 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 452 | 8 | 1 | 5 | 4.9 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)NC(C)C)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| CHEMBL402776 | 154712 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 452 | 8 | 1 | 5 | 4.9 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)NC(C)C)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| 489815 | 205041 | 2 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 442 | 5 | 0 | 2 | 5.6 | O=C(c1ccccc1F)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL90129 | 205041 | 2 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 442 | 5 | 0 | 2 | 5.6 | O=C(c1ccccc1F)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| 46883030 | 5711 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 623 | 7 | 0 | 7 | 5.6 | CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)nc(C(F)(F)F)nc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| CHEMBL1078713 | 5711 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 623 | 7 | 0 | 7 | 5.6 | CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)nc(C(F)(F)F)nc3C)CC1)CC2 | 10.1016/j.bmcl.2009.07.122 | ||
| 489814 | 205620 | 2 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 492 | 5 | 0 | 2 | 6.4 | O=C(c1ccccc1C(F)(F)F)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL93625 | 205620 | 2 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 492 | 5 | 0 | 2 | 6.4 | O=C(c1ccccc1C(F)(F)F)N1C[C@H](CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 | 10.1016/s0960-894x(01)00545-5 | ||
| 44455313 | 94677 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 463 | 7 | 0 | 5 | 5.5 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(C(=O)C1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| CHEMBL255535 | 94677 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 463 | 7 | 0 | 5 | 5.5 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(C(=O)C1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2007.12.058 | ||
| 54584427 | 60571 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 590 | 9 | 1 | 5 | 6.6 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2cccnc2)c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| CHEMBL1762327 | 60571 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 590 | 9 | 1 | 5 | 6.6 | CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2cccnc2)c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2011.02.058 | ||
| 46882074 | 5532 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 570 | 5 | 0 | 5 | 5.3 | CCO[C@H]1Cc2cc(C(F)(F)F)ccc2[C@@H]1N1CCN(C2C[C@@H]3CN(C(=O)c4c(C)ccnc4C)C[C@@H]3C2)C[C@@H]1C | 10.1016/j.bmcl.2010.02.004 | ||
| CHEMBL1077354 | 5532 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 570 | 5 | 0 | 5 | 5.3 | CCO[C@H]1Cc2cc(C(F)(F)F)ccc2[C@@H]1N1CCN(C2C[C@@H]3CN(C(=O)c4c(C)ccnc4C)C[C@@H]3C2)C[C@@H]1C | 10.1016/j.bmcl.2010.02.004 | ||
| 457845 | 161251 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 320 | 4 | 1 | 2 | 3.9 | c1ccc(C2CCN(C[C@H]3CNC[C@@H]3c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(01)00545-5 | ||
| CHEMBL414222 | 161251 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 320 | 4 | 1 | 2 | 3.9 | c1ccc(C2CCN(C[C@H]3CNC[C@@H]3c3ccccc3)CC2)cc1 | 10.1016/s0960-894x(01)00545-5 | ||
| 52943283 | 18170 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 553 | 8 | 0 | 6 | 3.7 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(S(=O)(=O)C(C)C)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| CHEMBL1271000 | 18170 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 553 | 8 | 0 | 6 | 3.7 | Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CCC(c3ccccc3)C3CCN(S(=O)(=O)C(C)C)CC3)C[C@@H]2C1 | 10.1016/j.bmcl.2010.08.118 | ||
| 1638 | 2683 | 33 | None | -6 | 16 | Mouse | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | 10.1073/pnas.0700295104 | ||
| 1676 | 2683 | 33 | None | -6 | 16 | Mouse | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | 10.1073/pnas.0700295104 | ||
| 1878 | 2683 | 33 | None | -6 | 16 | Mouse | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | 10.1073/pnas.0700295104 | ||
| 5284596 | 2683 | 33 | None | -6 | 16 | Mouse | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | 10.1073/pnas.0700295104 | ||
| CHEMBL80 | 2683 | 33 | None | -6 | 16 | Mouse | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | 10.1073/pnas.0700295104 | ||
| DB01183 | 2683 | 33 | None | -6 | 16 | Mouse | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | 10.1073/pnas.0700295104 | ||
| 2984051 | 55029 | 5 | None | - | 1 | Human | 5.0 | pKd | = | 5 | Binding | ChEMBL | 333 | 6 | 1 | 2 | 4.5 | CC(C)NCc1cc(Br)ccc1OCc1ccccc1 | 10.1021/ml2000017 | ||
| CHEMBL1618631 | 55029 | 5 | None | - | 1 | Human | 5.0 | pKd | = | 5 | Binding | ChEMBL | 333 | 6 | 1 | 2 | 4.5 | CC(C)NCc1cc(Br)ccc1OCc1ccccc1 | 10.1021/ml2000017 | ||
| 10287138 | 72779 | 0 | None | - | 1 | Human | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 373 | 4 | 1 | 6 | 3.3 | COc1nc(Cl)c(Cl)nc1NS(=O)(=O)c1ccc(Cl)s1 | 10.1021/ml2000017 | ||
| CHEMBL2011440 | 72779 | 0 | None | - | 1 | Human | 5.0 | pKd | = | 5.0 | Binding | ChEMBL | 373 | 4 | 1 | 6 | 3.3 | COc1nc(Cl)c(Cl)nc1NS(=O)(=O)c1ccc(Cl)s1 | 10.1021/ml2000017 | ||
| 10287138 | 72779 | 0 | None | - | 1 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 373 | 4 | 1 | 6 | 3.3 | COc1nc(Cl)c(Cl)nc1NS(=O)(=O)c1ccc(Cl)s1 | 10.1021/ml2000017 | ||
| CHEMBL2011440 | 72779 | 0 | None | - | 1 | Human | 4.8 | pKd | = | 4.8 | Binding | ChEMBL | 373 | 4 | 1 | 6 | 3.3 | COc1nc(Cl)c(Cl)nc1NS(=O)(=O)c1ccc(Cl)s1 | 10.1021/ml2000017 | ||
| 2964123 | 67325 | 11 | None | - | 1 | Human | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 375 | 7 | 1 | 3 | 4.3 | Brc1ccc(OCc2ccccc2)c(CNCC2CCCO2)c1 | 10.1021/ml2000017 | ||
| CHEMBL1907216 | 67325 | 11 | None | - | 1 | Human | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 375 | 7 | 1 | 3 | 4.3 | Brc1ccc(OCc2ccccc2)c(CNCC2CCCO2)c1 | 10.1021/ml2000017 | ||
| 1638 | 2683 | 33 | None | -6 | 16 | Mouse | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | 10.1073/pnas.0700295104 | ||
| 1676 | 2683 | 33 | None | -6 | 16 | Mouse | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | 10.1073/pnas.0700295104 | ||
| 1878 | 2683 | 33 | None | -6 | 16 | Mouse | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | 10.1073/pnas.0700295104 | ||
| 5284596 | 2683 | 33 | None | -6 | 16 | Mouse | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | 10.1073/pnas.0700295104 | ||
| CHEMBL80 | 2683 | 33 | None | -6 | 16 | Mouse | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | 10.1073/pnas.0700295104 | ||
| DB01183 | 2683 | 33 | None | -6 | 16 | Mouse | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | 10.1073/pnas.0700295104 | ||
| 10215932 | 72780 | 1 | None | - | 1 | Human | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 383 | 4 | 1 | 6 | 2.8 | COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1 | 10.1021/ml2000017 | ||
| CHEMBL2011441 | 72780 | 1 | None | - | 1 | Human | 4.7 | pKd | = | 4.7 | Binding | ChEMBL | 383 | 4 | 1 | 6 | 2.8 | COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1 | 10.1021/ml2000017 | ||
| 11598 | 666 | 6 | None | - | 1 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
| 23725177 | 666 | 6 | None | - | 1 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
| CHEMBL4442783 | 666 | 6 | None | - | 1 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
| 3002977 | 2426 | 70 | None | -3 | 2 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml2000017 | ||
| 803 | 2426 | 70 | None | -3 | 2 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml2000017 | ||
| 806 | 2426 | 70 | None | -3 | 2 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml2000017 | ||
| CHEMBL1201187 | 2426 | 70 | None | -3 | 2 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml2000017 | ||
| CHEMBL256907 | 2426 | 70 | None | -3 | 2 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml2000017 | ||
| CHEMBL584744 | 2426 | 70 | None | -3 | 2 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml2000017 | ||
| DB04835 | 2426 | 70 | None | -3 | 2 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1021/ml2000017 | ||
| 1017290 | 55568 | 13 | None | - | 1 | Human | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 363 | 7 | 2 | 3 | 3.9 | CC(C)(CO)NCc1cc(Br)ccc1OCc1ccccc1 | 10.1021/ml2000017 | ||
| CHEMBL1623307 | 55568 | 13 | None | - | 1 | Human | 4.6 | pKd | = | 4.6 | Binding | ChEMBL | 363 | 7 | 2 | 3 | 3.9 | CC(C)(CO)NCc1cc(Br)ccc1OCc1ccccc1 | 10.1021/ml2000017 | ||
| 10215932 | 72780 | 1 | None | - | 1 | Human | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 383 | 4 | 1 | 6 | 2.8 | COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1 | 10.1021/ml2000017 | ||
| CHEMBL2011441 | 72780 | 1 | None | - | 1 | Human | 4.5 | pKd | = | 4.5 | Binding | ChEMBL | 383 | 4 | 1 | 6 | 2.8 | COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1 | 10.1021/ml2000017 | ||
| 3001322 | 439 | 19 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1021/jm300682j | ||
| 805 | 439 | 19 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1021/jm300682j | ||
| CHEMBL1255794 | 439 | 19 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1021/jm300682j | ||
| DB06497 | 439 | 19 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 10.1021/jm300682j | ||
| 49871007 | 58505 | 9 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 559 | 5 | 0 | 6 | 4.8 | CCO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/ml1001536 | ||
| CHEMBL1688243 | 58505 | 9 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 559 | 5 | 0 | 6 | 4.8 | CCO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/ml1001536 | ||
| 3373405 | 55403 | 11 | None | - | 1 | Human | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 394 | 4 | 0 | 3 | 3.7 | COc1ccc(Br)cc1CN1CCCC(C(=O)N2CCCCC2)C1 | 10.1021/ml2000017 | ||
| CHEMBL1621896 | 55403 | 11 | None | - | 1 | Human | 4.3 | pKd | = | 4.3 | Binding | ChEMBL | 394 | 4 | 0 | 3 | 3.7 | COc1ccc(Br)cc1CN1CCCC(C(=O)N2CCCCC2)C1 | 10.1021/ml2000017 | ||
| 1017997 | 72778 | 9 | None | - | 1 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 382 | 7 | 1 | 3 | 4.7 | Brc1ccc(OCc2ccccc2)c(CNCc2ccccn2)c1 | 10.1021/ml2000017 | ||
| CHEMBL2011439 | 72778 | 9 | None | - | 1 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 382 | 7 | 1 | 3 | 4.7 | Brc1ccc(OCc2ccccc2)c(CNCc2ccccn2)c1 | 10.1021/ml2000017 | ||
| 6532436 | 31430 | 1 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 616 | 7 | 0 | 5 | 7.3 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc(-c4ccncc4)cc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL140484 | 31430 | 1 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 616 | 7 | 0 | 5 | 7.3 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc(-c4ccncc4)cc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 3002977 | 2426 | 70 | None | 3 | 2 | Rhesus macaque | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1039/c3md00080j | ||
| 803 | 2426 | 70 | None | 3 | 2 | Rhesus macaque | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1039/c3md00080j | ||
| 806 | 2426 | 70 | None | 3 | 2 | Rhesus macaque | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1039/c3md00080j | ||
| CHEMBL1201187 | 2426 | 70 | None | 3 | 2 | Rhesus macaque | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1039/c3md00080j | ||
| CHEMBL256907 | 2426 | 70 | None | 3 | 2 | Rhesus macaque | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1039/c3md00080j | ||
| CHEMBL584744 | 2426 | 70 | None | 3 | 2 | Rhesus macaque | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1039/c3md00080j | ||
| DB04835 | 2426 | 70 | None | 3 | 2 | Rhesus macaque | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1039/c3md00080j | ||
| 3002977 | 2426 | 70 | None | 3 | 2 | Rhesus macaque | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2016.09.059 | ||
| 803 | 2426 | 70 | None | 3 | 2 | Rhesus macaque | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2016.09.059 | ||
| 806 | 2426 | 70 | None | 3 | 2 | Rhesus macaque | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2016.09.059 | ||
| CHEMBL1201187 | 2426 | 70 | None | 3 | 2 | Rhesus macaque | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2016.09.059 | ||
| CHEMBL256907 | 2426 | 70 | None | 3 | 2 | Rhesus macaque | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2016.09.059 | ||
| CHEMBL584744 | 2426 | 70 | None | 3 | 2 | Rhesus macaque | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2016.09.059 | ||
| DB04835 | 2426 | 70 | None | 3 | 2 | Rhesus macaque | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 10.1016/j.bmc.2016.09.059 | ||
| 483407 | 165487 | 18 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 | nan | ||
| CHEMBL425618 | 165487 | 18 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 513 | 8 | 1 | 5 | 6.0 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 | nan | ||
| 6532435 | 115160 | 1 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 668 | 6 | 0 | 5 | 6.5 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Br)cncc3Br)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL335365 | 115160 | 1 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 668 | 6 | 0 | 5 | 6.5 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Br)cncc3Br)CC2)CC1 | 10.1021/jm030265z | ||
| 5482301 | 119377 | 1 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 668 | 6 | 0 | 5 | 6.5 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Br)cncc3Br)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL349008 | 119377 | 1 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 668 | 6 | 0 | 5 | 6.5 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Br)cncc3Br)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| 6532434 | 115649 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 580 | 6 | 0 | 5 | 6.3 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Cl)cncc3Cl)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL335794 | 115649 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 580 | 6 | 0 | 5 | 6.3 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Cl)cncc3Cl)CC2)CC1 | 10.1021/jm030265z | ||
| 5482300 | 119550 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 580 | 6 | 0 | 5 | 6.3 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Cl)cncc3Cl)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL350563 | 119550 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 580 | 6 | 0 | 5 | 6.3 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Cl)cncc3Cl)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| 463616 | 31834 | 1 | None | 2884 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 542 | 4 | 0 | 4 | 6.2 | C[C@H]1CN(C2(C)CCN(C(=O)c3c(Cl)cncc3Cl)CC2)CCN1[C@@H](C)c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL140827 | 31834 | 1 | None | 2884 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 542 | 4 | 0 | 4 | 6.2 | C[C@H]1CN(C2(C)CCN(C(=O)c3c(Cl)cncc3Cl)CC2)CCN1[C@@H](C)c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(02)00918-6 | ||
| 463616 | 31834 | 1 | None | 2884 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 542 | 4 | 0 | 4 | 6.2 | C[C@H]1CN(C2(C)CCN(C(=O)c3c(Cl)cncc3Cl)CC2)CCN1[C@@H](C)c1ccc(C(F)(F)F)cc1 | 10.1021/jm030265z | ||
| CHEMBL140827 | 31834 | 1 | None | 2884 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 542 | 4 | 0 | 4 | 6.2 | C[C@H]1CN(C2(C)CCN(C(=O)c3c(Cl)cncc3Cl)CC2)CCN1[C@@H](C)c1ccc(C(F)(F)F)cc1 | 10.1021/jm030265z | ||
| 5495582 | 116290 | 1 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 684 | 6 | 0 | 5 | 5.8 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Br)c[n+]([O-])cc3Br)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL337776 | 116290 | 1 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 684 | 6 | 0 | 5 | 5.8 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Br)c[n+]([O-])cc3Br)CC2)CC1 | 10.1021/jm030265z | ||
| 9579116 | 55984 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 684 | 6 | 0 | 5 | 5.8 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Br)c[n+]([O-])cc3Br)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL162880 | 55984 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 684 | 6 | 0 | 5 | 5.8 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Br)c[n+]([O-])cc3Br)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| 71462570 | 82154 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 518 | 5 | 2 | 5 | 5.6 | CC1(C)CN(CC/C=C2/c3cc(C(=O)O)ccc3OCc3ncccc32)C[C@H](c2ccc(Cl)cc2)[C@H]1O | 10.1021/jm300682j | ||
| CHEMBL2178569 | 82154 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 518 | 5 | 2 | 5 | 5.6 | CC1(C)CN(CC/C=C2/c3cc(C(=O)O)ccc3OCc3ncccc32)C[C@H](c2ccc(Cl)cc2)[C@H]1O | 10.1021/jm300682j | ||
| 44337326 | 7886 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 600 | 7 | 0 | 5 | 6.4 | COc1ccc(S(=O)(=O)c2ccc(CC3CCN(C4CCN(C(=O)c5ccc(F)c6ccccc56)CC4)CC3)cc2)cc1 | 10.1021/jm015526o | ||
| CHEMBL109051 | 7886 | 0 | None | 1 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 600 | 7 | 0 | 5 | 6.4 | COc1ccc(S(=O)(=O)c2ccc(CC3CCN(C4CCN(C(=O)c5ccc(F)c6ccccc56)CC4)CC3)cc2)cc1 | 10.1021/jm015526o | ||
| 456375 | 10002 | 1 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 501 | 4 | 0 | 3 | 6.1 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| CHEMBL115487 | 10002 | 1 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 501 | 4 | 0 | 3 | 6.1 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| 9575320 | 5082 | 0 | None | 1 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 540 | 6 | 0 | 5 | 5.6 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ccnc3C)CC2)CC1 | 10.1021/jm015526o | ||
| CHEMBL105821 | 5082 | 0 | None | 1 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 540 | 6 | 0 | 5 | 5.6 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ccnc3C)CC2)CC1 | 10.1021/jm015526o | ||
| 9574357 | 109284 | 0 | None | 1 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 526 | 5 | 0 | 5 | 5.2 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ccnc3C)CC2)CC1 | 10.1021/jm015526o | ||
| CHEMBL323172 | 109284 | 0 | None | 1 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 526 | 5 | 0 | 5 | 5.2 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ccnc3C)CC2)CC1 | 10.1021/jm015526o | ||
| 9575320 | 5082 | 0 | None | -1 | 2 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 540 | 6 | 0 | 5 | 5.6 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ccnc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL105821 | 5082 | 0 | None | -1 | 2 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 540 | 6 | 0 | 5 | 5.6 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ccnc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| 9574357 | 109284 | 0 | None | -1 | 2 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 526 | 5 | 0 | 5 | 5.2 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ccnc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL323172 | 109284 | 0 | None | -1 | 2 | Mouse | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 526 | 5 | 0 | 5 | 5.2 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ccnc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| 5482298 | 29069 | 1 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 540 | 6 | 0 | 5 | 5.6 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ccnc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL138285 | 29069 | 1 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 540 | 6 | 0 | 5 | 5.6 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ccnc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 5479841 | 30535 | 1 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 526 | 5 | 0 | 5 | 5.2 | CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ccnc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL139559 | 30535 | 1 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 526 | 5 | 0 | 5 | 5.2 | CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ccnc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 6533781 | 29482 | 1 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 596 | 6 | 0 | 5 | 5.5 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Cl)c[n+]([O-])cc3Cl)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL138640 | 29482 | 1 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 596 | 6 | 0 | 5 | 5.5 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Cl)c[n+]([O-])cc3Cl)CC2)CC1 | 10.1021/jm030265z | ||
| 5495581 | 56774 | 1 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 596 | 6 | 0 | 5 | 5.5 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Cl)c[n+]([O-])cc3Cl)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL164484 | 56774 | 1 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 596 | 6 | 0 | 5 | 5.5 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Cl)c[n+]([O-])cc3Cl)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| 5495597 | 31373 | 1 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 587 | 7 | 0 | 7 | 5.7 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(SC)nc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL140418 | 31373 | 1 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 587 | 7 | 0 | 7 | 5.7 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(SC)nc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 5495597 | 31373 | 1 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 587 | 7 | 0 | 7 | 5.7 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(SC)nc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL140418 | 31373 | 1 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 587 | 7 | 0 | 7 | 5.7 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(SC)nc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| 183790 | 3685 | 8 | None | 3 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/s0960-894x(00)00639-9 | ||
| 783 | 3685 | 8 | None | 3 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL1178786 | 3685 | 8 | None | 3 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/s0960-894x(00)00639-9 | ||
| 5479844 | 109960 | 1 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 539 | 6 | 0 | 4 | 6.2 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm015526o | ||
| CHEMBL324643 | 109960 | 1 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 539 | 6 | 0 | 4 | 6.2 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm015526o | ||
| 502259 | 116298 | 1 | None | 61 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 571 | 4 | 0 | 5 | 5.9 | Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL337820 | 116298 | 1 | None | 61 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 571 | 4 | 0 | 5 | 5.9 | Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 462571 | 118290 | 1 | None | 97 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 517 | 4 | 0 | 5 | 5.2 | Cc1nc(C)c(C(=O)N2CCC(C)(N3CCN([C@@H](C)c4ccc(C(F)(F)F)cc4)[C@@H](C)C3)CC2)c(C)n1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL342137 | 118290 | 1 | None | 97 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 517 | 4 | 0 | 5 | 5.2 | Cc1nc(C)c(C(=O)N2CCC(C)(N3CCN([C@@H](C)c4ccc(C(F)(F)F)cc4)[C@@H](C)C3)CC2)c(C)n1 | 10.1016/s0960-894x(02)00918-6 | ||
| 502259 | 116298 | 1 | None | 61 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 571 | 4 | 0 | 5 | 5.9 | Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| CHEMBL337820 | 116298 | 1 | None | 61 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 571 | 4 | 0 | 5 | 5.9 | Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| 462571 | 118290 | 1 | None | 97 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 517 | 4 | 0 | 5 | 5.2 | Cc1nc(C)c(C(=O)N2CCC(C)(N3CCN([C@@H](C)c4ccc(C(F)(F)F)cc4)[C@@H](C)C3)CC2)c(C)n1 | 10.1021/jm030265z | ||
| CHEMBL342137 | 118290 | 1 | None | 97 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 517 | 4 | 0 | 5 | 5.2 | Cc1nc(C)c(C(=O)N2CCC(C)(N3CCN([C@@H](C)c4ccc(C(F)(F)F)cc4)[C@@H](C)C3)CC2)c(C)n1 | 10.1021/jm030265z | ||
| 44337326 | 7886 | 0 | None | -1000 | 3 | Mouse | 6.0 | pKi | = | 6 | Binding | ChEMBL | 600 | 7 | 0 | 5 | 6.4 | COc1ccc(S(=O)(=O)c2ccc(CC3CCN(C4CCN(C(=O)c5ccc(F)c6ccccc56)CC4)CC3)cc2)cc1 | 10.1021/jm0200815 | ||
| CHEMBL109051 | 7886 | 0 | None | -1000 | 3 | Mouse | 6.0 | pKi | = | 6 | Binding | ChEMBL | 600 | 7 | 0 | 5 | 6.4 | COc1ccc(S(=O)(=O)c2ccc(CC3CCN(C4CCN(C(=O)c5ccc(F)c6ccccc56)CC4)CC3)cc2)cc1 | 10.1021/jm0200815 | ||
| 463892 | 31661 | 1 | None | 18 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 533 | 5 | 0 | 6 | 4.9 | COc1nc(C)c(C(=O)N2CCC(C)(N3CCN([C@@H](C)c4ccc(C(F)(F)F)cc4)[C@@H](C)C3)CC2)c(C)n1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL140706 | 31661 | 1 | None | 18 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 533 | 5 | 0 | 6 | 4.9 | COc1nc(C)c(C(=O)N2CCC(C)(N3CCN([C@@H](C)c4ccc(C(F)(F)F)cc4)[C@@H](C)C3)CC2)c(C)n1 | 10.1016/s0960-894x(02)00918-6 | ||
| 463209 | 120619 | 1 | None | 6 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 519 | 5 | 0 | 6 | 4.8 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(OC(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL357557 | 120619 | 1 | None | 6 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 519 | 5 | 0 | 6 | 4.8 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(OC(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 463210 | 164363 | 1 | None | 15 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 561 | 4 | 0 | 5 | 4.5 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL422326 | 164363 | 1 | None | 15 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 561 | 4 | 0 | 5 | 4.5 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 457874 | 78054 | 1 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 525 | 5 | 0 | 4 | 5.8 | CON=C(c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm015526o | ||
| CHEMBL2111747 | 78054 | 1 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 525 | 5 | 0 | 4 | 5.8 | CON=C(c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm015526o | ||
| 5479846 | 109966 | 1 | None | - | 1 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 525 | 5 | 0 | 4 | 5.8 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL324671 | 109966 | 1 | None | - | 1 | Mouse | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 525 | 5 | 0 | 4 | 5.8 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| 463892 | 31661 | 1 | None | 18 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 533 | 5 | 0 | 6 | 4.9 | COc1nc(C)c(C(=O)N2CCC(C)(N3CCN([C@@H](C)c4ccc(C(F)(F)F)cc4)[C@@H](C)C3)CC2)c(C)n1 | 10.1021/jm030265z | ||
| CHEMBL140706 | 31661 | 1 | None | 18 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 533 | 5 | 0 | 6 | 4.9 | COc1nc(C)c(C(=O)N2CCC(C)(N3CCN([C@@H](C)c4ccc(C(F)(F)F)cc4)[C@@H](C)C3)CC2)c(C)n1 | 10.1021/jm030265z | ||
| 5495587 | 118866 | 1 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 567 | 7 | 0 | 6 | 5.4 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OCC3CC3)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL344435 | 118866 | 1 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 567 | 7 | 0 | 6 | 5.4 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OCC3CC3)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| 5495587 | 118866 | 1 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 567 | 7 | 0 | 6 | 5.4 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OCC3CC3)c3ccc(Br)cc3)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL344435 | 118866 | 1 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 567 | 7 | 0 | 6 | 5.4 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OCC3CC3)c3ccc(Br)cc3)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| 511295 | 9168 | 1 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 418 | 4 | 0 | 2 | 5.6 | Cc1ccc(CC2CCN(C3(C)CCN(C(=O)c4c(C)cccc4C)CC3)CC2)cc1 | 10.1021/jm030265z | ||
| CHEMBL110786 | 9168 | 1 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 418 | 4 | 0 | 2 | 5.6 | Cc1ccc(CC2CCN(C3(C)CCN(C(=O)c4c(C)cccc4C)CC3)CC2)cc1 | 10.1021/jm030265z | ||
| 511295 | 9168 | 1 | None | -1 | 2 | Mouse | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 418 | 4 | 0 | 2 | 5.6 | Cc1ccc(CC2CCN(C3(C)CCN(C(=O)c4c(C)cccc4C)CC3)CC2)cc1 | 10.1021/jm0200815 | ||
| CHEMBL110786 | 9168 | 1 | None | -1 | 2 | Mouse | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 418 | 4 | 0 | 2 | 5.6 | Cc1ccc(CC2CCN(C3(C)CCN(C(=O)c4c(C)cccc4C)CC3)CC2)cc1 | 10.1021/jm0200815 | ||
| 463319 | 118891 | 1 | None | 102 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 579 | 5 | 0 | 5 | 6.5 | Cc1nc(-c2ccccc2)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL344607 | 118891 | 1 | None | 102 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 579 | 5 | 0 | 5 | 6.5 | Cc1nc(-c2ccccc2)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 462409 | 110202 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 561 | 4 | 1 | 4 | 5.1 | Cc1cccc(O)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| CHEMBL326020 | 110202 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 561 | 4 | 1 | 4 | 5.1 | Cc1cccc(O)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| 44337251 | 5364 | 0 | None | - | 1 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 569 | 8 | 0 | 5 | 5.8 | COCCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL107363 | 5364 | 0 | None | - | 1 | Mouse | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 569 | 8 | 0 | 5 | 5.8 | COCCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| 456323 | 9611 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 580 | 4 | 1 | 4 | 5.3 | C[C@H]1CN(C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)CCN1[C@@H](C)c1ccc(I)cc1 | 10.1021/jm030265z | ||
| CHEMBL113154 | 9611 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 580 | 4 | 1 | 4 | 5.3 | C[C@H]1CN(C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)CCN1[C@@H](C)c1ccc(I)cc1 | 10.1021/jm030265z | ||
| 463319 | 118891 | 1 | None | 102 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 579 | 5 | 0 | 5 | 6.5 | Cc1nc(-c2ccccc2)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| CHEMBL344607 | 118891 | 1 | None | 102 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 579 | 5 | 0 | 5 | 6.5 | Cc1nc(-c2ccccc2)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| 483746 | 31105 | 2 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 661 | 4 | 0 | 3 | 5.4 | C[C@H]1CN(C2CCN(C(=O)c3c(F)cccc3I)CC2)CCN1[C@@H](C)c1ccc(I)cc1 | 10.1021/jm030265z | ||
| CHEMBL140183 | 31105 | 2 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 661 | 4 | 0 | 3 | 5.4 | C[C@H]1CN(C2CCN(C(=O)c3c(F)cccc3I)CC2)CCN1[C@@H](C)c1ccc(I)cc1 | 10.1021/jm030265z | ||
| 5495585 | 32292 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 595 | 6 | 0 | 6 | 5.5 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OCC(F)(F)F)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL141201 | 32292 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 595 | 6 | 0 | 6 | 5.5 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OCC(F)(F)F)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| 5495585 | 32292 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 595 | 6 | 0 | 6 | 5.5 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OCC(F)(F)F)c3ccc(Br)cc3)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL141201 | 32292 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 595 | 6 | 0 | 6 | 5.5 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OCC(F)(F)F)c3ccc(Br)cc3)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| 456339 | 9456 | 1 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 513 | 5 | 1 | 6 | 3.9 | Cc1cccc(O)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| CHEMBL112299 | 9456 | 1 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 513 | 5 | 1 | 6 | 3.9 | Cc1cccc(O)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| 456339 | 9456 | 1 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 513 | 5 | 1 | 6 | 3.9 | Cc1cccc(O)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| CHEMBL112299 | 9456 | 1 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 513 | 5 | 1 | 6 | 3.9 | Cc1cccc(O)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| 90666578 | 108911 | 0 | None | - | 1 | Rhesus macaque | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 5.5 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(N)cc1 | 10.1039/c3md00080j | ||
| CHEMBL3219780 | 108911 | 0 | None | - | 1 | Rhesus macaque | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 5.5 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(N)cc1 | 10.1039/c3md00080j | ||
| 112500049 | 131964 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 642 | 11 | 2 | 7 | 6.7 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COC(C)(C)C)cc1 | nan | ||
| CHEMBL3697626 | 131964 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 642 | 11 | 2 | 7 | 6.7 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COC(C)(C)C)cc1 | nan | ||
| 71718930 | 87399 | 0 | None | -75 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 601 | 5 | 1 | 7 | 4.4 | CO[C@@H]1COCC[C@@H]1NC1CCN(C(=O)c2nc(C(F)(F)F)nc(N3CCc4cc(C(F)(F)F)ccc4C3)c2C)CC1 | 10.1021/ml400055e | ||
| CHEMBL2338390 | 87399 | 0 | None | -75 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 601 | 5 | 1 | 7 | 4.4 | CO[C@@H]1COCC[C@@H]1NC1CCN(C(=O)c2nc(C(F)(F)F)nc(N3CCc4cc(C(F)(F)F)ccc4C3)c2C)CC1 | 10.1021/ml400055e | ||
| 90666577 | 108910 | 0 | None | - | 1 | Rhesus macaque | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 886 | 25 | 5 | 11 | 4.9 | CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)Nc1ccc([C@H](CCN2C3CCC2CC(n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)cc1 | 10.1039/c3md00080j | ||
| CHEMBL3219779 | 108910 | 0 | None | - | 1 | Rhesus macaque | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 886 | 25 | 5 | 11 | 4.9 | CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)Nc1ccc([C@H](CCN2C3CCC2CC(n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)cc1 | 10.1039/c3md00080j | ||
| 101577042 | 182560 | 0 | None | - | 1 | Rhesus macaque | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 886 | 25 | 5 | 11 | 4.9 | CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)Nc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)cc1 | 10.1016/j.bmc.2016.09.059 | ||
| CHEMBL4795179 | 182560 | 0 | None | - | 1 | Rhesus macaque | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 886 | 25 | 5 | 11 | 4.9 | CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)Nc1ccc([C@H](CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nnc2C(C)C)C3)NC(=O)C2CCC(F)(F)CC2)cc1 | 10.1016/j.bmc.2016.09.059 | ||
| 112500047 | 123951 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 643 | 13 | 3 | 8 | 4.4 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(N)=O)cc1 | nan | ||
| CHEMBL3639964 | 123951 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 643 | 13 | 3 | 8 | 4.4 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(N)=O)cc1 | nan | ||
| 511306 | 5185 | 1 | None | -1 | 2 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 5 | 0 | 3 | 5.3 | COc1ccc(CC2CCN(C3(C)CCN(C(=O)c4c(C)cccc4C)CC3)CC2)cc1 | 10.1021/jm0200815 | ||
| CHEMBL106369 | 5185 | 1 | None | -1 | 2 | Mouse | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 5 | 0 | 3 | 5.3 | COc1ccc(CC2CCN(C3(C)CCN(C(=O)c4c(C)cccc4C)CC3)CC2)cc1 | 10.1021/jm0200815 | ||
| 511306 | 5185 | 1 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 5 | 0 | 3 | 5.3 | COc1ccc(CC2CCN(C3(C)CCN(C(=O)c4c(C)cccc4C)CC3)CC2)cc1 | 10.1021/jm030265z | ||
| CHEMBL106369 | 5185 | 1 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 5 | 0 | 3 | 5.3 | COc1ccc(CC2CCN(C3(C)CCN(C(=O)c4c(C)cccc4C)CC3)CC2)cc1 | 10.1021/jm030265z | ||
| 9579325 | 106865 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 542 | 6 | 0 | 5 | 4.5 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ccc[n+]3[O-])CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL317644 | 106865 | 0 | None | - | 1 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 542 | 6 | 0 | 5 | 4.5 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ccc[n+]3[O-])CC2)CC1 | 10.1021/jm0200815 | ||
| 5496112 | 30565 | 1 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 542 | 6 | 0 | 5 | 4.5 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ccc[n+]3[O-])CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL139607 | 30565 | 1 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 542 | 6 | 0 | 5 | 4.5 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ccc[n+]3[O-])CC2)CC1 | 10.1021/jm030265z | ||
| 462989 | 32885 | 1 | None | 14 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 518 | 4 | 0 | 4 | 4.7 | Cc1c[n+]([O-])cc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL141699 | 32885 | 1 | None | 14 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 518 | 4 | 0 | 4 | 4.7 | Cc1c[n+]([O-])cc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 9574356 | 5130 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 542 | 5 | 0 | 5 | 4.5 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm015526o | ||
| CHEMBL106098 | 5130 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 542 | 5 | 0 | 5 | 4.5 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm015526o | ||
| 9574359 | 5250 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 527 | 5 | 1 | 5 | 5.2 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3O)CC2)CC1 | 10.1021/jm015526o | ||
| CHEMBL106767 | 5250 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 527 | 5 | 1 | 5 | 5.2 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3O)CC2)CC1 | 10.1021/jm015526o | ||
| 9574359 | 5250 | 0 | None | -1 | 2 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 527 | 5 | 1 | 5 | 5.2 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3O)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL106767 | 5250 | 0 | None | -1 | 2 | Mouse | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 527 | 5 | 1 | 5 | 5.2 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3O)CC2)CC1 | 10.1021/jm0200815 | ||
| 5479851 | 30447 | 1 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 527 | 5 | 1 | 5 | 5.2 | CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3O)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL139459 | 30447 | 1 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 527 | 5 | 1 | 5 | 5.2 | CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3O)CC2)CC1 | 10.1021/jm030265z | ||
| 462989 | 32885 | 1 | None | 14 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 518 | 4 | 0 | 4 | 4.7 | Cc1c[n+]([O-])cc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| CHEMBL141699 | 32885 | 1 | None | 14 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 518 | 4 | 0 | 4 | 4.7 | Cc1c[n+]([O-])cc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| 456292 | 96301 | 1 | None | 42 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 553 | 6 | 0 | 5 | 6.0 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| CHEMBL264442 | 96301 | 1 | None | 42 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 553 | 6 | 0 | 5 | 6.0 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| 3117 | 206106 | 100 | None | -8 | 16 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
| CHEMBL964 | 206106 | 100 | None | -8 | 16 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
| 9574356 | 5130 | 0 | None | -1 | 2 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 542 | 5 | 0 | 5 | 4.5 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL106098 | 5130 | 0 | None | -1 | 2 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 542 | 5 | 0 | 5 | 4.5 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm0200815 | ||
| 5479840 | 28972 | 1 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 542 | 5 | 0 | 5 | 4.5 | CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL138198 | 28972 | 1 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 542 | 5 | 0 | 5 | 4.5 | CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm030265z | ||
| 511298 | 109441 | 1 | None | -1 | 2 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 498 | 4 | 1 | 3 | 5.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(C(O)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL323454 | 109441 | 1 | None | -1 | 2 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 498 | 4 | 1 | 3 | 5.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(C(O)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| 511298 | 109441 | 1 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 498 | 4 | 1 | 3 | 5.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(C(O)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL323454 | 109441 | 1 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 498 | 4 | 1 | 3 | 5.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(C(O)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| 464036 | 9654 | 4 | None | 1174 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 502 | 4 | 0 | 4 | 5.5 | Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL113436 | 9654 | 4 | None | 1174 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 502 | 4 | 0 | 4 | 5.5 | Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 10617034 | 206588 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 339 | 3 | 2 | 2 | 5.1 | O=C(O)c1ccc(-c2ccc(-c3cc4c(F)ccc(F)c4o3)[nH]2)cc1 | 10.1021/jm300682j | ||
| CHEMBL99221 | 206588 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 339 | 3 | 2 | 2 | 5.1 | O=C(O)c1ccc(-c2ccc(-c3cc4c(F)ccc(F)c4o3)[nH]2)cc1 | 10.1021/jm300682j | ||
| 44341106 | 9542 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 511 | 5 | 0 | 4 | 5.4 | CO/N=C(/c1ccc(Br)cc1)C1CCN(C2CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm015526o | ||
| CHEMBL112686 | 9542 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 511 | 5 | 0 | 4 | 5.4 | CO/N=C(/c1ccc(Br)cc1)C1CCN(C2CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm015526o | ||
| 5479844 | 109960 | 1 | None | -1 | 2 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 539 | 6 | 0 | 4 | 6.2 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL324643 | 109960 | 1 | None | -1 | 2 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 539 | 6 | 0 | 4 | 6.2 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| 5479846 | 109966 | 1 | None | - | 1 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 525 | 5 | 0 | 4 | 5.8 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL324671 | 109966 | 1 | None | - | 1 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 525 | 5 | 0 | 4 | 5.8 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| 5479845 | 9556 | 1 | None | 3 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 525 | 5 | 0 | 4 | 5.8 | CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL112760 | 9556 | 1 | None | 3 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 525 | 5 | 0 | 4 | 5.8 | CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 5495584 | 31333 | 1 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 555 | 7 | 0 | 6 | 5.4 | CCCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL140390 | 31333 | 1 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 555 | 7 | 0 | 6 | 5.4 | CCCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 5479843 | 112557 | 1 | None | 4 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 539 | 6 | 0 | 4 | 6.2 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL331140 | 112557 | 1 | None | 4 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 539 | 6 | 0 | 4 | 6.2 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 5495584 | 31333 | 1 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 555 | 7 | 0 | 6 | 5.4 | CCCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL140390 | 31333 | 1 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 555 | 7 | 0 | 6 | 5.4 | CCCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| 802 | 411 | 9 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 10.1021/jm015526o | ||
| 804 | 411 | 9 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 10.1021/jm015526o | ||
| 9574343 | 411 | 9 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 10.1021/jm015526o | ||
| CHEMBL78535 | 411 | 9 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 10.1021/jm015526o | ||
| 802 | 411 | 9 | None | 1 | 2 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 10.1021/jm0200815 | ||
| 804 | 411 | 9 | None | 1 | 2 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 10.1021/jm0200815 | ||
| 9574343 | 411 | 9 | None | 1 | 2 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 10.1021/jm0200815 | ||
| CHEMBL78535 | 411 | 9 | None | 1 | 2 | Mouse | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 10.1021/jm0200815 | ||
| 802 | 411 | 9 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 10.1021/jm030265z | ||
| 804 | 411 | 9 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 10.1021/jm030265z | ||
| 9574343 | 411 | 9 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 10.1021/jm030265z | ||
| CHEMBL78535 | 411 | 9 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 10.1021/jm030265z | ||
| 5495589 | 114992 | 1 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 555 | 6 | 0 | 6 | 5.3 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(C)nc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL335120 | 114992 | 1 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 555 | 6 | 0 | 6 | 5.3 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(C)nc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 3009355 | 3926 | 21 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 10.1016/s0960-894x(02)01063-6 | ||
| 807 | 3926 | 21 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL82301 | 3926 | 21 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 10.1016/s0960-894x(02)01063-6 | ||
| DB06652 | 3926 | 21 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 10.1016/s0960-894x(02)01063-6 | ||
| 5495589 | 114992 | 1 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 555 | 6 | 0 | 6 | 5.3 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(C)nc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL335120 | 114992 | 1 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 555 | 6 | 0 | 6 | 5.3 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(C)nc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| 6532433 | 33272 | 1 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 541 | 6 | 0 | 6 | 5.0 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL142021 | 33272 | 1 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 541 | 6 | 0 | 6 | 5.0 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 5482299 | 119670 | 1 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 541 | 6 | 0 | 6 | 5.0 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL351625 | 119670 | 1 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 541 | 6 | 0 | 6 | 5.0 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| 464036 | 9654 | 4 | None | 1174 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 502 | 4 | 0 | 4 | 5.5 | Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| CHEMBL113436 | 9654 | 4 | None | 1174 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 502 | 4 | 0 | 4 | 5.5 | Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| 464036 | 9654 | 4 | None | 1174 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 502 | 4 | 0 | 4 | 5.5 | Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| CHEMBL113436 | 9654 | 4 | None | 1174 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 502 | 4 | 0 | 4 | 5.5 | Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| 6533779 | 28659 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 540 | 6 | 0 | 5 | 5.6 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cncc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL137934 | 28659 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 540 | 6 | 0 | 5 | 5.6 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cncc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL5071060 | 212480 | 0 | None | 21 | 2 | Rhesus macaque | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | None | None | None | Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 | 10.1021/acs.jmedchem.1c00408 | ||||
| 462395 | 114704 | 1 | None | 128 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 558 | 4 | 0 | 4 | 5.4 | C[C@H]1CN(C2(C)CCN(C(=O)c3c(Cl)c[n+]([O-])cc3Cl)CC2)CCN1[C@@H](C)c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL334470 | 114704 | 1 | None | 128 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 558 | 4 | 0 | 4 | 5.4 | C[C@H]1CN(C2(C)CCN(C(=O)c3c(Cl)c[n+]([O-])cc3Cl)CC2)CCN1[C@@H](C)c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(02)00918-6 | ||
| 462395 | 114704 | 1 | None | 128 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 558 | 4 | 0 | 4 | 5.4 | C[C@H]1CN(C2(C)CCN(C(=O)c3c(Cl)c[n+]([O-])cc3Cl)CC2)CCN1[C@@H](C)c1ccc(C(F)(F)F)cc1 | 10.1021/jm030265z | ||
| CHEMBL334470 | 114704 | 1 | None | 128 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 558 | 4 | 0 | 4 | 5.4 | C[C@H]1CN(C2(C)CCN(C(=O)c3c(Cl)c[n+]([O-])cc3Cl)CC2)CCN1[C@@H](C)c1ccc(C(F)(F)F)cc1 | 10.1021/jm030265z | ||
| 462902 | 119348 | 1 | None | 8 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 460 | 4 | 0 | 6 | 3.7 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C#N)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL348667 | 119348 | 1 | None | 8 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 460 | 4 | 0 | 6 | 3.7 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C#N)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 483744 | 9537 | 2 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 545 | 4 | 0 | 3 | 5.3 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| CHEMBL112659 | 9537 | 2 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 545 | 4 | 0 | 3 | 5.3 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| 9579332 | 5214 | 0 | None | - | 1 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 556 | 7 | 0 | 7 | 3.5 | CCO/N=C(\c1ccc(S(C)(=O)=O)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL106558 | 5214 | 0 | None | - | 1 | Mouse | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 556 | 7 | 0 | 7 | 3.5 | CCO/N=C(\c1ccc(S(C)(=O)=O)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm0200815 | ||
| 483744 | 9537 | 2 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 545 | 4 | 0 | 3 | 5.3 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| CHEMBL112659 | 9537 | 2 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 545 | 4 | 0 | 3 | 5.3 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| 5496119 | 29047 | 1 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 556 | 7 | 0 | 7 | 3.5 | CCO/N=C(/c1ccc(S(C)(=O)=O)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL138263 | 29047 | 1 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 556 | 7 | 0 | 7 | 3.5 | CCO/N=C(/c1ccc(S(C)(=O)=O)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm030265z | ||
| 71718331 | 87400 | 0 | None | -208 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 663 | 8 | 2 | 8 | 5.7 | Cc1c(NC[C@H]2CCC[C@@H](c3ccc(C(F)(F)F)cc3)O2)nc(C2CCOCC2)nc1C(=O)N1CCC(N[C@H]2CCOC[C@H]2F)CC1 | 10.1021/ml400055e | ||
| CHEMBL2338391 | 87400 | 0 | None | -208 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 663 | 8 | 2 | 8 | 5.7 | Cc1c(NC[C@H]2CCC[C@@H](c3ccc(C(F)(F)F)cc3)O2)nc(C2CCOCC2)nc1C(=O)N1CCC(N[C@H]2CCOC[C@H]2F)CC1 | 10.1021/ml400055e | ||
| 9827221 | 109214 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 497 | 4 | 0 | 3 | 5.4 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(Br)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| CHEMBL322817 | 109214 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 497 | 4 | 0 | 3 | 5.4 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(Br)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| 5495579 | 55988 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 540 | 6 | 0 | 5 | 5.6 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cncc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL162946 | 55988 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 540 | 6 | 0 | 5 | 5.6 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cncc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| 461838 | 201953 | 1 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 611 | 6 | 0 | 7 | 4.9 | C[C@H]1CN(C2CCN(C(=O)c3c(F)cccc3F)CC2)CCN1[C@@H](C)c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1 | 10.1016/s0960-894x(01)00381-x | ||
| CHEMBL67281 | 201953 | 1 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 611 | 6 | 0 | 7 | 4.9 | C[C@H]1CN(C2CCN(C(=O)c3c(F)cccc3F)CC2)CCN1[C@@H](C)c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1 | 10.1016/s0960-894x(01)00381-x | ||
| 89702731 | 108908 | 0 | None | -4 | 3 | Rhesus macaque | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1197 | 28 | 7 | 15 | 6.6 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 | 10.1039/c3md00080j | ||
| CHEMBL3219777 | 108908 | 0 | None | -4 | 3 | Rhesus macaque | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1197 | 28 | 7 | 15 | 6.6 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 | 10.1039/c3md00080j | ||
| 162650661 | 179569 | 0 | None | -74 | 2 | Rhesus macaque | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1197 | 28 | 7 | 15 | 6.6 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 | 10.1016/j.bmc.2016.09.059 | ||
| CHEMBL4748891 | 179569 | 0 | None | -74 | 2 | Rhesus macaque | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1197 | 28 | 7 | 15 | 6.6 | Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 | 10.1016/j.bmc.2016.09.059 | ||
| 89702731 | 108908 | 0 | None | -4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1197 | 28 | 7 | 15 | 6.6 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 | nan | ||
| CHEMBL3219777 | 108908 | 0 | None | -4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1197 | 28 | 7 | 15 | 6.6 | Cc1nnc(C(C)C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1 | nan | ||
| 9579329 | 5131 | 0 | None | - | 1 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 498 | 5 | 0 | 5 | 4.3 | CO/N=C(\c1ccc(Cl)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL106099 | 5131 | 0 | None | - | 1 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 498 | 5 | 0 | 5 | 4.3 | CO/N=C(\c1ccc(Cl)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm0200815 | ||
| 5496116 | 28913 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 498 | 5 | 0 | 5 | 4.3 | CO/N=C(/c1ccc(Cl)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL138143 | 28913 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 498 | 5 | 0 | 5 | 4.3 | CO/N=C(/c1ccc(Cl)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm030265z | ||
| 5479845 | 9556 | 1 | None | 3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 525 | 5 | 0 | 4 | 5.8 | CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm015526o | ||
| CHEMBL112760 | 9556 | 1 | None | 3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 525 | 5 | 0 | 4 | 5.8 | CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm015526o | ||
| 511304 | 5318 | 1 | None | -1 | 2 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 472 | 4 | 0 | 2 | 6.3 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL107092 | 5318 | 1 | None | -1 | 2 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 472 | 4 | 0 | 2 | 6.3 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| 5479845 | 9556 | 1 | None | -3 | 2 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 525 | 5 | 0 | 4 | 5.8 | CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL112760 | 9556 | 1 | None | -3 | 2 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 525 | 5 | 0 | 4 | 5.8 | CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| 511304 | 5318 | 1 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 472 | 4 | 0 | 2 | 6.3 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL107092 | 5318 | 1 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 472 | 4 | 0 | 2 | 6.3 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| 5479845 | 9556 | 1 | None | 3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 525 | 5 | 0 | 4 | 5.8 | CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL112760 | 9556 | 1 | None | 3 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 525 | 5 | 0 | 4 | 5.8 | CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 5495595 | 30216 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 581 | 7 | 0 | 6 | 5.9 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(C4CC4)nc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL139246 | 30216 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 581 | 7 | 0 | 6 | 5.9 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(C4CC4)nc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 5495595 | 30216 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 581 | 7 | 0 | 6 | 5.9 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(C4CC4)nc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL139246 | 30216 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 581 | 7 | 0 | 6 | 5.9 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(C4CC4)nc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| 9579318 | 169277 | 0 | None | - | 1 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 526 | 6 | 0 | 5 | 5.3 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3cccnc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL443999 | 169277 | 0 | None | - | 1 | Mouse | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 526 | 6 | 0 | 5 | 5.3 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3cccnc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| 5496105 | 28759 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 526 | 6 | 0 | 5 | 5.3 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3cccnc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL138028 | 28759 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 526 | 6 | 0 | 5 | 5.3 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3cccnc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 11069824 | 110183 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 419 | 4 | 0 | 3 | 4.7 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccccc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| CHEMBL325957 | 110183 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 419 | 4 | 0 | 3 | 4.7 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccccc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| 456293 | 202360 | 1 | None | 17 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 603 | 6 | 0 | 7 | 5.2 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| CHEMBL70010 | 202360 | 1 | None | 17 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 603 | 6 | 0 | 7 | 5.2 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| 11079978 | 9091 | 0 | None | - | 1 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 404 | 4 | 0 | 2 | 5.3 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccccc3)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL110270 | 9091 | 0 | None | - | 1 | Mouse | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 404 | 4 | 0 | 2 | 5.3 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccccc3)CC2)CC1 | 10.1021/jm0200815 | ||
| 457672 | 7144 | 1 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 484 | 4 | 0 | 3 | 5.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Oc3ccc(Br)cc3)CC2)CC1 | 10.1021/jm015526o | ||
| CHEMBL108569 | 7144 | 1 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 484 | 4 | 0 | 3 | 5.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Oc3ccc(Br)cc3)CC2)CC1 | 10.1021/jm015526o | ||
| 457672 | 7144 | 1 | None | -1 | 2 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 484 | 4 | 0 | 3 | 5.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Oc3ccc(Br)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL108569 | 7144 | 1 | None | -1 | 2 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 484 | 4 | 0 | 3 | 5.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Oc3ccc(Br)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| 457672 | 7144 | 1 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 484 | 4 | 0 | 3 | 5.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Oc3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL108569 | 7144 | 1 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 484 | 4 | 0 | 3 | 5.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Oc3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| 483747 | 104930 | 2 | None | 177 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 503 | 4 | 0 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL311795 | 104930 | 2 | None | 177 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 503 | 4 | 0 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 484578 | 9600 | 2 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 511 | 5 | 0 | 5 | 4.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| CHEMBL113072 | 9600 | 2 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 511 | 5 | 0 | 5 | 4.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| 9579312 | 108659 | 0 | None | - | 1 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 597 | 6 | 0 | 4 | 6.8 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(F)cccc3C(F)(F)F)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL321413 | 108659 | 0 | None | - | 1 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 597 | 6 | 0 | 4 | 6.8 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(F)cccc3C(F)(F)F)CC2)CC1 | 10.1021/jm0200815 | ||
| 484578 | 9600 | 2 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 511 | 5 | 0 | 5 | 4.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| CHEMBL113072 | 9600 | 2 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 511 | 5 | 0 | 5 | 4.5 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| 483747 | 104930 | 2 | None | 177 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 503 | 4 | 0 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| CHEMBL311795 | 104930 | 2 | None | 177 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 503 | 4 | 0 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| 5496099 | 164702 | 1 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 597 | 6 | 0 | 4 | 6.8 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(F)cccc3C(F)(F)F)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL423000 | 164702 | 1 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 597 | 6 | 0 | 4 | 6.8 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(F)cccc3C(F)(F)F)CC2)CC1 | 10.1021/jm030265z | ||
| 5495590 | 31495 | 1 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 609 | 6 | 0 | 6 | 6.0 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(C(F)(F)F)nc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL140552 | 31495 | 1 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 609 | 6 | 0 | 6 | 6.0 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(C(F)(F)F)nc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 5495590 | 31495 | 1 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 609 | 6 | 0 | 6 | 6.0 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(C(F)(F)F)nc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL140552 | 31495 | 1 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 609 | 6 | 0 | 6 | 6.0 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(C(F)(F)F)nc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL5074744 | 212558 | 0 | None | 1 | 2 | Rhesus macaque | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | CC(C)c1nnc(CCNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)n1C1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 | 10.1021/acs.jmedchem.1c00408 | ||||
| 5495588 | 31943 | 1 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 555 | 6 | 0 | 6 | 5.4 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OC(C)C)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL140912 | 31943 | 1 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 555 | 6 | 0 | 6 | 5.4 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OC(C)C)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| 5495588 | 31943 | 1 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 555 | 6 | 0 | 6 | 5.4 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OC(C)C)c3ccc(Br)cc3)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL140912 | 31943 | 1 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 555 | 6 | 0 | 6 | 5.4 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OC(C)C)c3ccc(Br)cc3)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| 9574358 | 5078 | 0 | None | 1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 546 | 5 | 1 | 5 | 5.4 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)CC1 | 10.1021/jm015526o | ||
| CHEMBL105784 | 5078 | 0 | None | 1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 546 | 5 | 1 | 5 | 5.4 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)CC1 | 10.1021/jm015526o | ||
| 9574358 | 5078 | 0 | None | -1 | 2 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 546 | 5 | 1 | 5 | 5.4 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL105784 | 5078 | 0 | None | -1 | 2 | Mouse | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 546 | 5 | 1 | 5 | 5.4 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)CC1 | 10.1021/jm0200815 | ||
| 5479842 | 116217 | 1 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 546 | 5 | 1 | 5 | 5.4 | CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL337340 | 116217 | 1 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 546 | 5 | 1 | 5 | 5.4 | CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)CC1 | 10.1021/jm030265z | ||
| 9579330 | 5210 | 0 | None | - | 1 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 546 | 6 | 0 | 5 | 5.1 | CCO/N=C(\c1ccc(C(F)(F)F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL106533 | 5210 | 0 | None | - | 1 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 546 | 6 | 0 | 5 | 5.1 | CCO/N=C(\c1ccc(C(F)(F)F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm0200815 | ||
| 5496117 | 95967 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 546 | 6 | 0 | 5 | 5.1 | CCO/N=C(/c1ccc(C(F)(F)F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL261950 | 95967 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 546 | 6 | 0 | 5 | 5.1 | CCO/N=C(/c1ccc(C(F)(F)F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm030265z | ||
| 456647 | 10119 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 531 | 4 | 0 | 3 | 4.7 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(I)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| CHEMBL116008 | 10119 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 531 | 4 | 0 | 3 | 4.7 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(I)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| 9579334 | 5900 | 0 | None | - | 1 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 496 | 6 | 0 | 5 | 4.2 | CCO/N=C(\c1ccc(F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL107999 | 5900 | 0 | None | - | 1 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 496 | 6 | 0 | 5 | 4.2 | CCO/N=C(\c1ccc(F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm0200815 | ||
| 9579328 | 167529 | 0 | None | - | 1 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 542 | 6 | 0 | 7 | 3.1 | CO/N=C(\c1ccc(S(C)(=O)=O)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL432636 | 167529 | 0 | None | - | 1 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 542 | 6 | 0 | 7 | 3.1 | CO/N=C(\c1ccc(S(C)(=O)=O)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm0200815 | ||
| 456647 | 10119 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 531 | 4 | 0 | 3 | 4.7 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(I)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| CHEMBL116008 | 10119 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 531 | 4 | 0 | 3 | 4.7 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(I)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| 5496115 | 29499 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 542 | 6 | 0 | 7 | 3.1 | CO/N=C(/c1ccc(S(C)(=O)=O)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL138655 | 29499 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 542 | 6 | 0 | 7 | 3.1 | CO/N=C(/c1ccc(S(C)(=O)=O)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm030265z | ||
| 5496121 | 32479 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 496 | 6 | 0 | 5 | 4.2 | CCO/N=C(/c1ccc(F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL141345 | 32479 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 496 | 6 | 0 | 5 | 4.2 | CCO/N=C(/c1ccc(F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm030265z | ||
| 73345281 | 88815 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 942 | 8 | 10 | 19 | -0.6 | C[C@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)C5=C[C@H](O)C67C(=O)O[C@@](C)(C8CCC(C)(C)O8)[C@@]6(O)CC[C@@]7(C)C5CCC4C3(C)C)OC[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | 10.1016/s0960-894x(02)00599-1 | ||
| CHEMBL2367888 | 88815 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 942 | 8 | 10 | 19 | -0.6 | C[C@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)C5=C[C@H](O)C67C(=O)O[C@@](C)(C8CCC(C)(C)O8)[C@@]6(O)CC[C@@]7(C)C5CCC4C3(C)C)OC[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | 10.1016/s0960-894x(02)00599-1 | ||
| 455656 | 202312 | 1 | None | 3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 604 | 6 | 1 | 8 | 4.5 | Cc1cccc(N)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| CHEMBL69670 | 202312 | 1 | None | 3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 604 | 6 | 1 | 8 | 4.5 | Cc1cccc(N)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| 71717723 | 87401 | 0 | None | -51 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 525 | 7 | 2 | 7 | 4.3 | CO[C@@H]1COCC[C@@H]1NC1CCN(C(=O)c2nc(CF)nc(Nc3ccc(Cl)c(Cl)c3)c2C)CC1 | 10.1021/ml400055e | ||
| CHEMBL2338392 | 87401 | 0 | None | -51 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 525 | 7 | 2 | 7 | 4.3 | CO[C@@H]1COCC[C@@H]1NC1CCN(C(=O)c2nc(CF)nc(Nc3ccc(Cl)c(Cl)c3)c2C)CC1 | 10.1021/ml400055e | ||
| 5495593 | 118588 | 1 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 634 | 8 | 1 | 8 | 4.4 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(NS(C)(=O)=O)nc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL342706 | 118588 | 1 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 634 | 8 | 1 | 8 | 4.4 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(NS(C)(=O)=O)nc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 5495593 | 118588 | 1 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 634 | 8 | 1 | 8 | 4.4 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(NS(C)(=O)=O)nc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL342706 | 118588 | 1 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 634 | 8 | 1 | 8 | 4.4 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(NS(C)(=O)=O)nc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| 455657 | 202307 | 1 | None | 3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 624 | 6 | 1 | 8 | 4.9 | C[C@H]1CN(C2CCN(C(=O)c3c(N)cccc3Cl)CC2)CCN1[C@@H](C)c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1 | 10.1016/s0960-894x(01)00381-x | ||
| CHEMBL69642 | 202307 | 1 | None | 3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 624 | 6 | 1 | 8 | 4.9 | C[C@H]1CN(C2CCN(C(=O)c3c(N)cccc3Cl)CC2)CCN1[C@@H](C)c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1 | 10.1016/s0960-894x(01)00381-x | ||
| 9579315 | 5076 | 0 | None | - | 1 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 597 | 8 | 0 | 6 | 5.8 | CCOC(=O)CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL105779 | 5076 | 0 | None | - | 1 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 597 | 8 | 0 | 6 | 5.8 | CCOC(=O)CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| 511303 | 5189 | 1 | None | -1 | 2 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 530 | 4 | 0 | 2 | 5.9 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(I)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL106406 | 5189 | 1 | None | -1 | 2 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 530 | 4 | 0 | 2 | 5.9 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(I)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| 9579316 | 5254 | 0 | None | - | 1 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 582 | 7 | 1 | 5 | 4.9 | CNC(=O)CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL106790 | 5254 | 0 | None | - | 1 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 582 | 7 | 1 | 5 | 4.9 | CNC(=O)CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| 511307 | 5301 | 1 | None | -1 | 2 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 482 | 5 | 0 | 4 | 4.7 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL106982 | 5301 | 1 | None | -1 | 2 | Mouse | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 482 | 5 | 0 | 4 | 4.7 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| 511303 | 5189 | 1 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 530 | 4 | 0 | 2 | 5.9 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(I)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL106406 | 5189 | 1 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 530 | 4 | 0 | 2 | 5.9 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(I)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| 511307 | 5301 | 1 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 482 | 5 | 0 | 4 | 4.7 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL106982 | 5301 | 1 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 482 | 5 | 0 | 4 | 4.7 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(S(C)(=O)=O)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| 5496102 | 33009 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 597 | 8 | 0 | 6 | 5.8 | CCOC(=O)CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL141802 | 33009 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 597 | 8 | 0 | 6 | 5.8 | CCOC(=O)CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 5496103 | 118266 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 582 | 7 | 1 | 5 | 4.9 | CNC(=O)CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL341928 | 118266 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 582 | 7 | 1 | 5 | 4.9 | CNC(=O)CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 474465 | 201382 | 2 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 525 | 6 | 0 | 5 | 5.0 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(Cc4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| CHEMBL63757 | 201382 | 2 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 525 | 6 | 0 | 5 | 5.0 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(Cc4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| 511297 | 5161 | 1 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 480 | 5 | 0 | 2 | 6.9 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(-c4ccccc4)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL106264 | 5161 | 1 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 480 | 5 | 0 | 2 | 6.9 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(-c4ccccc4)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| 511297 | 5161 | 1 | None | -1 | 2 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 480 | 5 | 0 | 2 | 6.9 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(-c4ccccc4)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL106264 | 5161 | 1 | None | -1 | 2 | Mouse | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 480 | 5 | 0 | 2 | 6.9 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(-c4ccccc4)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| 474188 | 31434 | 2 | None | 28 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 518 | 4 | 1 | 6 | 4.5 | Cc1nc(N)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL140490 | 31434 | 2 | None | 28 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 518 | 4 | 1 | 6 | 4.5 | Cc1nc(N)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 474188 | 31434 | 2 | None | 28 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 518 | 4 | 1 | 6 | 4.5 | Cc1nc(N)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| CHEMBL140490 | 31434 | 2 | None | 28 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 518 | 4 | 1 | 6 | 4.5 | Cc1nc(N)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| 9579314 | 7807 | 0 | None | - | 1 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 553 | 6 | 0 | 4 | 6.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N/OC(C)C)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL109008 | 7807 | 0 | None | - | 1 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 553 | 6 | 0 | 4 | 6.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N/OC(C)C)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| 5496101 | 29908 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 553 | 6 | 0 | 4 | 6.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OC(C)C)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL138975 | 29908 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 553 | 6 | 0 | 4 | 6.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OC(C)C)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| 9579331 | 106969 | 0 | None | - | 1 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 562 | 7 | 0 | 6 | 5.0 | CCO/N=C(\c1ccc(OC(F)(F)F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL318311 | 106969 | 0 | None | - | 1 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 562 | 7 | 0 | 6 | 5.0 | CCO/N=C(\c1ccc(OC(F)(F)F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm0200815 | ||
| 5496118 | 29059 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 562 | 7 | 0 | 6 | 5.0 | CCO/N=C(/c1ccc(OC(F)(F)F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL138274 | 29059 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 562 | 7 | 0 | 6 | 5.0 | CCO/N=C(/c1ccc(OC(F)(F)F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm030265z | ||
| 9574360 | 8024 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 526 | 5 | 1 | 5 | 5.1 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3N)CC2)CC1 | 10.1021/jm015526o | ||
| CHEMBL109158 | 8024 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 526 | 5 | 1 | 5 | 5.1 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3N)CC2)CC1 | 10.1021/jm015526o | ||
| 9574360 | 8024 | 0 | None | -1 | 2 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 526 | 5 | 1 | 5 | 5.1 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3N)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL109158 | 8024 | 0 | None | -1 | 2 | Mouse | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 526 | 5 | 1 | 5 | 5.1 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3N)CC2)CC1 | 10.1021/jm0200815 | ||
| 5479852 | 29966 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 526 | 5 | 1 | 5 | 5.1 | CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3N)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL139029 | 29966 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 526 | 5 | 1 | 5 | 5.1 | CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3N)CC2)CC1 | 10.1021/jm030265z | ||
| 5495583 | 32295 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 527 | 5 | 0 | 6 | 4.6 | CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL141202 | 32295 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 527 | 5 | 0 | 6 | 4.6 | CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 9579117 | 54694 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 527 | 5 | 0 | 6 | 4.6 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL161587 | 54694 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 527 | 5 | 0 | 6 | 4.6 | CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL5094690 | 213735 | 0 | None | - | 1 | Rhesus macaque | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)NCCc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 | 10.1021/acs.jmedchem.1c00408 | ||||
| 9579321 | 9156 | 0 | None | - | 1 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 556 | 6 | 1 | 6 | 5.3 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc(C)nc3O)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL110730 | 9156 | 0 | None | - | 1 | Mouse | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 556 | 6 | 1 | 6 | 5.3 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc(C)nc3O)CC2)CC1 | 10.1021/jm0200815 | ||
| 5496108 | 29779 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 556 | 6 | 1 | 6 | 5.3 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc(C)nc3O)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL138879 | 29779 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 556 | 6 | 1 | 6 | 5.3 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc(C)nc3O)CC2)CC1 | 10.1021/jm030265z | ||
| 5495594 | 30631 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 583 | 7 | 0 | 6 | 6.1 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(C(C)C)nc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL139701 | 30631 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 583 | 7 | 0 | 6 | 6.1 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(C(C)C)nc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 5495594 | 30631 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 583 | 7 | 0 | 6 | 6.1 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(C(C)C)nc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL139701 | 30631 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 583 | 7 | 0 | 6 | 6.1 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(C(C)C)nc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| 456611 | 201860 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 539 | 6 | 0 | 5 | 5.4 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| CHEMBL66623 | 201860 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 539 | 6 | 0 | 5 | 5.4 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| 461546 | 9390 | 1 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 517 | 4 | 0 | 3 | 4.3 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(I)cc3)CC2)CC1 | 10.1021/jm0155401 | ||
| CHEMBL111982 | 9390 | 1 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 517 | 4 | 0 | 3 | 4.3 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(I)cc3)CC2)CC1 | 10.1021/jm0155401 | ||
| 461546 | 9390 | 1 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 517 | 4 | 0 | 3 | 4.3 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(I)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL111982 | 9390 | 1 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 517 | 4 | 0 | 3 | 4.3 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(I)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| 463517 | 202007 | 1 | None | -436 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 589 | 6 | 0 | 7 | 4.8 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| CHEMBL67563 | 202007 | 1 | None | -436 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 589 | 6 | 0 | 7 | 4.8 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| 461871 | 161220 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 543 | 6 | 0 | 3 | 6.9 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(Cc4cccc(Cl)c4)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| CHEMBL413972 | 161220 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 543 | 6 | 0 | 3 | 6.9 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(Cc4cccc(Cl)c4)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| 503637 | 56053 | 1 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 2.4 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCCCC2)CC1 | 10.1016/s0960-894x(02)01062-4 | ||
| CHEMBL163078 | 56053 | 1 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 2.4 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCCCC2)CC1 | 10.1016/s0960-894x(02)01062-4 | ||
| 5479843 | 112557 | 1 | None | 4 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 539 | 6 | 0 | 4 | 6.2 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm015526o | ||
| CHEMBL331140 | 112557 | 1 | None | 4 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 539 | 6 | 0 | 4 | 6.2 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm015526o | ||
| 5479843 | 112557 | 1 | None | -4 | 2 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 539 | 6 | 0 | 4 | 6.2 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL331140 | 112557 | 1 | None | -4 | 2 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 539 | 6 | 0 | 4 | 6.2 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| 5479843 | 112557 | 1 | None | 4 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 539 | 6 | 0 | 4 | 6.2 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL331140 | 112557 | 1 | None | 4 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 539 | 6 | 0 | 4 | 6.2 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 462772 | 101841 | 1 | None | 5 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 643 | 6 | 0 | 7 | 5.9 | C[C@H]1CN(C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CCN1[C@@H](C)c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1 | 10.1016/s0960-894x(01)00381-x | ||
| CHEMBL303503 | 101841 | 1 | None | 5 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 643 | 6 | 0 | 7 | 5.9 | C[C@H]1CN(C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CCN1[C@@H](C)c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1 | 10.1016/s0960-894x(01)00381-x | ||
| 484577 | 9392 | 2 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 503 | 4 | 1 | 4 | 5.5 | Cc1cccc(O)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| CHEMBL111998 | 9392 | 2 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 503 | 4 | 1 | 4 | 5.5 | Cc1cccc(O)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| 484579 | 9595 | 2 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 4.1 | C[C@H]1CN(C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)CCN1[C@@H](C)c1ccc(S(C)(=O)=O)cc1 | 10.1021/jm0155401 | ||
| CHEMBL113042 | 9595 | 2 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 4.1 | C[C@H]1CN(C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)CCN1[C@@H](C)c1ccc(S(C)(=O)=O)cc1 | 10.1021/jm0155401 | ||
| 456323 | 9611 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 580 | 4 | 1 | 4 | 5.3 | C[C@H]1CN(C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)CCN1[C@@H](C)c1ccc(I)cc1 | 10.1021/jm0155401 | ||
| CHEMBL113154 | 9611 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 580 | 4 | 1 | 4 | 5.3 | C[C@H]1CN(C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)CCN1[C@@H](C)c1ccc(I)cc1 | 10.1021/jm0155401 | ||
| 456372 | 10043 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 559 | 4 | 0 | 3 | 5.7 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| CHEMBL115716 | 10043 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 559 | 4 | 0 | 3 | 5.7 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| 461327 | 110072 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 522 | 4 | 1 | 4 | 5.7 | C[C@H]1CN(C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)CCN1[C@@H](C)c1ccc(C(F)(F)F)cc1 | 10.1021/jm0155401 | ||
| CHEMBL325276 | 110072 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 522 | 4 | 1 | 4 | 5.7 | C[C@H]1CN(C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)CCN1[C@@H](C)c1ccc(C(F)(F)F)cc1 | 10.1021/jm0155401 | ||
| 484577 | 9392 | 2 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 503 | 4 | 1 | 4 | 5.5 | Cc1cccc(O)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| CHEMBL111998 | 9392 | 2 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 503 | 4 | 1 | 4 | 5.5 | Cc1cccc(O)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| 484579 | 9595 | 2 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 4.1 | C[C@H]1CN(C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)CCN1[C@@H](C)c1ccc(S(C)(=O)=O)cc1 | 10.1021/jm030265z | ||
| CHEMBL113042 | 9595 | 2 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 4.1 | C[C@H]1CN(C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)CCN1[C@@H](C)c1ccc(S(C)(=O)=O)cc1 | 10.1021/jm030265z | ||
| 456372 | 10043 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 559 | 4 | 0 | 3 | 5.7 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| CHEMBL115716 | 10043 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 559 | 4 | 0 | 3 | 5.7 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| 461327 | 110072 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 522 | 4 | 1 | 4 | 5.7 | C[C@H]1CN(C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)CCN1[C@@H](C)c1ccc(C(F)(F)F)cc1 | 10.1021/jm030265z | ||
| CHEMBL325276 | 110072 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 522 | 4 | 1 | 4 | 5.7 | C[C@H]1CN(C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)CCN1[C@@H](C)c1ccc(C(F)(F)F)cc1 | 10.1021/jm030265z | ||
| 503637 | 56053 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 2.4 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCCCC2)CC1 | 10.1016/s0960-894x(02)01062-4 | ||
| CHEMBL163078 | 56053 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 2.4 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCCCC2)CC1 | 10.1016/s0960-894x(02)01062-4 | ||
| 462573 | 29316 | 1 | None | 316 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 502 | 4 | 0 | 4 | 5.5 | Cc1cncc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL138502 | 29316 | 1 | None | 316 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 502 | 4 | 0 | 4 | 5.5 | Cc1cncc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 462573 | 29316 | 1 | None | 316 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 502 | 4 | 0 | 4 | 5.5 | Cc1cncc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| CHEMBL138502 | 29316 | 1 | None | 316 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 502 | 4 | 0 | 4 | 5.5 | Cc1cncc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| 9579326 | 108117 | 0 | None | - | 1 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 532 | 5 | 0 | 5 | 4.7 | CO/N=C(\c1ccc(C(F)(F)F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL320502 | 108117 | 0 | None | - | 1 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 532 | 5 | 0 | 5 | 4.7 | CO/N=C(\c1ccc(C(F)(F)F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm0200815 | ||
| 5496113 | 32431 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 532 | 5 | 0 | 5 | 4.7 | CO/N=C(/c1ccc(C(F)(F)F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL141301 | 32431 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 532 | 5 | 0 | 5 | 4.7 | CO/N=C(/c1ccc(C(F)(F)F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm030265z | ||
| 5495596 | 118738 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 571 | 7 | 0 | 7 | 5.0 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(OC)nc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL343520 | 118738 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 571 | 7 | 0 | 7 | 5.0 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(OC)nc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 5495596 | 118738 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 571 | 7 | 0 | 7 | 5.0 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(OC)nc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL343520 | 118738 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 571 | 7 | 0 | 7 | 5.0 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(OC)nc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| 9579333 | 162876 | 0 | None | - | 1 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 512 | 6 | 0 | 5 | 4.7 | CCO/N=C(\c1ccc(Cl)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL419735 | 162876 | 0 | None | - | 1 | Mouse | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 512 | 6 | 0 | 5 | 4.7 | CCO/N=C(\c1ccc(Cl)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm0200815 | ||
| 5496120 | 118782 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 512 | 6 | 0 | 5 | 4.7 | CCO/N=C(/c1ccc(Cl)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL343826 | 118782 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 512 | 6 | 0 | 5 | 4.7 | CCO/N=C(/c1ccc(Cl)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL5089300 | 213427 | 0 | None | 1 | 2 | Rhesus macaque | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | None | None | None | CC(C)c1nnc(CCNC(=O)COCC(=O)NCCCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)n1C1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 | 10.1021/acs.jmedchem.1c00408 | ||||
| 5495591 | 32866 | 1 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 556 | 6 | 1 | 7 | 4.6 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(N)nc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL141683 | 32866 | 1 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 556 | 6 | 1 | 7 | 4.6 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(N)nc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 5495591 | 32866 | 1 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 556 | 6 | 1 | 7 | 4.6 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(N)nc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL141683 | 32866 | 1 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 556 | 6 | 1 | 7 | 4.6 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(N)nc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| 71719547 | 87402 | 0 | None | -50 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 660 | 8 | 2 | 9 | 5.8 | Cc1cc(-c2nc(NC[C@H]3CCC[C@@H](c4ccc(C(F)(F)F)cc4)O3)c(C)c(C(=O)N3CCC(N[C@@H]4CCOC[C@@H]4F)CC3)n2)no1 | 10.1021/ml400055e | ||
| CHEMBL2338393 | 87402 | 0 | None | -50 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 660 | 8 | 2 | 9 | 5.8 | Cc1cc(-c2nc(NC[C@H]3CCC[C@@H](c4ccc(C(F)(F)F)cc4)O3)c(C)c(C(=O)N3CCC(N[C@@H]4CCOC[C@@H]4F)CC3)n2)no1 | 10.1021/ml400055e | ||
| CHEMBL2367887 | 207841 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | None | None | None | COC1[C@@H](O)C(OC2[C@@H](O)[C@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@H]4[C@H](O[C@H]5CC[C@]6(C)C7=C[C@H](O)C89C(=O)O[C@@](C)(CCCC(C)C)C8CC[C@@]9(C)C7CCC6C5(C)C)OC[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](OC6O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]6O)[C@H]5O)[C@@H]4O)[C@H](O)[C@H]3O)O[C@H](CO)[C@H]2O)O[C@H](CO)[C@H]1O | 10.1016/s0960-894x(02)00599-1 | ||||
| 457671 | 5147 | 1 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 496 | 4 | 0 | 3 | 5.7 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm015526o | ||
| CHEMBL106209 | 5147 | 1 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 496 | 4 | 0 | 3 | 5.7 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm015526o | ||
| 457671 | 5147 | 1 | None | -1 | 2 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 496 | 4 | 0 | 3 | 5.7 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL106209 | 5147 | 1 | None | -1 | 2 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 496 | 4 | 0 | 3 | 5.7 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| 457671 | 5147 | 1 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 496 | 4 | 0 | 3 | 5.7 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL106209 | 5147 | 1 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 496 | 4 | 0 | 3 | 5.7 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(C(=O)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| 511305 | 106842 | 1 | None | -1 | 2 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 488 | 5 | 0 | 3 | 6.2 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL317476 | 106842 | 1 | None | -1 | 2 | Mouse | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 488 | 5 | 0 | 3 | 6.2 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| 511305 | 106842 | 1 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 488 | 5 | 0 | 3 | 6.2 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL317476 | 106842 | 1 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 488 | 5 | 0 | 3 | 6.2 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| 457875 | 5158 | 1 | None | 1 | 3 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 482 | 4 | 0 | 2 | 6.0 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(Br)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL106247 | 5158 | 1 | None | 1 | 3 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 482 | 4 | 0 | 2 | 6.0 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(Br)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| 457875 | 5158 | 1 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 482 | 4 | 0 | 2 | 6.0 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL106247 | 5158 | 1 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 482 | 4 | 0 | 2 | 6.0 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| 483741 | 33273 | 2 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 504 | 4 | 0 | 2 | 6.6 | CC1(N2CCC(Cc3ccc(Br)cc3)CC2)CCN(C(=O)c2cccc3ccccc23)CC1 | 10.1021/jm030265z | ||
| CHEMBL142022 | 33273 | 2 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 504 | 4 | 0 | 2 | 6.6 | CC1(N2CCC(Cc3ccc(Br)cc3)CC2)CCN(C(=O)c2cccc3ccccc23)CC1 | 10.1021/jm030265z | ||
| 511308 | 7580 | 1 | None | -1 | 2 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 446 | 5 | 0 | 3 | 5.5 | CC(=O)c1ccc(CC2CCN(C3(C)CCN(C(=O)c4c(C)cccc4C)CC3)CC2)cc1 | 10.1021/jm0200815 | ||
| CHEMBL108845 | 7580 | 1 | None | -1 | 2 | Mouse | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 446 | 5 | 0 | 3 | 5.5 | CC(=O)c1ccc(CC2CCN(C3(C)CCN(C(=O)c4c(C)cccc4C)CC3)CC2)cc1 | 10.1021/jm0200815 | ||
| 511308 | 7580 | 1 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 446 | 5 | 0 | 3 | 5.5 | CC(=O)c1ccc(CC2CCN(C3(C)CCN(C(=O)c4c(C)cccc4C)CC3)CC2)cc1 | 10.1021/jm030265z | ||
| CHEMBL108845 | 7580 | 1 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 446 | 5 | 0 | 3 | 5.5 | CC(=O)c1ccc(CC2CCN(C3(C)CCN(C(=O)c4c(C)cccc4C)CC3)CC2)cc1 | 10.1021/jm030265z | ||
| 5495592 | 31130 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 598 | 7 | 1 | 7 | 5.0 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(NC(C)=O)nc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL140201 | 31130 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 598 | 7 | 1 | 7 | 5.0 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(NC(C)=O)nc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 5495592 | 31130 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 598 | 7 | 1 | 7 | 5.0 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(NC(C)=O)nc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL140201 | 31130 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 598 | 7 | 1 | 7 | 5.0 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(NC(C)=O)nc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| 456298 | 9696 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 531 | 4 | 0 | 3 | 4.7 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN(Cc3ccc(I)cc3)CC2)CC1 | 10.1021/jm0155401 | ||
| CHEMBL113648 | 9696 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 531 | 4 | 0 | 3 | 4.7 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN(Cc3ccc(I)cc3)CC2)CC1 | 10.1021/jm0155401 | ||
| 44337265 | 5203 | 0 | None | - | 1 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 555 | 7 | 1 | 5 | 5.2 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N/OCCO)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL106507 | 5203 | 0 | None | - | 1 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 555 | 7 | 1 | 5 | 5.2 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N/OCCO)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| 511299 | 9190 | 1 | None | -1 | 2 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 496 | 4 | 0 | 2 | 6.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(C(C)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL110871 | 9190 | 1 | None | -1 | 2 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 496 | 4 | 0 | 2 | 6.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(C(C)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| 511299 | 9190 | 1 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 496 | 4 | 0 | 2 | 6.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(C(C)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL110871 | 9190 | 1 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 496 | 4 | 0 | 2 | 6.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(C(C)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| 456298 | 9696 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 531 | 4 | 0 | 3 | 4.7 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN(Cc3ccc(I)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL113648 | 9696 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 531 | 4 | 0 | 3 | 4.7 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN(Cc3ccc(I)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| 3497 | 1158 | 20 | None | -2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | O[C@H]([C@@H](NC(=O)c1cnc2c(n1)cccc2)Cc1cccc(c1)F)C[C@H](C(=O)N)CCC(O)(C)C | 10.1021/jm300682j | ||
| 5311123 | 1158 | 20 | None | -2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | O[C@H]([C@@H](NC(=O)c1cnc2c(n1)cccc2)Cc1cccc(c1)F)C[C@H](C(=O)N)CCC(O)(C)C | 10.1021/jm300682j | ||
| CHEMBL1628706 | 1158 | 20 | None | -2 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | O[C@H]([C@@H](NC(=O)c1cnc2c(n1)cccc2)Cc1cccc(c1)F)C[C@H](C(=O)N)CCC(O)(C)C | 10.1021/jm300682j | ||
| 457875 | 5158 | 1 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 482 | 4 | 0 | 2 | 6.0 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(Br)cc3)CC2)CC1 | 10.1021/jm015526o | ||
| CHEMBL106247 | 5158 | 1 | None | -1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 482 | 4 | 0 | 2 | 6.0 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(Br)cc3)CC2)CC1 | 10.1021/jm015526o | ||
| 10961907 | 9176 | 0 | None | - | 1 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 482 | 4 | 0 | 2 | 6.0 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3cccc(Br)c3)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL110809 | 9176 | 0 | None | - | 1 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 482 | 4 | 0 | 2 | 6.0 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3cccc(Br)c3)CC2)CC1 | 10.1021/jm0200815 | ||
| 511294 | 5167 | 1 | None | -1 | 2 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 438 | 4 | 0 | 2 | 5.9 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(Cl)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL106299 | 5167 | 1 | None | -1 | 2 | Mouse | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 438 | 4 | 0 | 2 | 5.9 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(Cl)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| 511294 | 5167 | 1 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 438 | 4 | 0 | 2 | 5.9 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(Cl)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL106299 | 5167 | 1 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 438 | 4 | 0 | 2 | 5.9 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(Cl)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| 511332 | 109140 | 4 | None | 35 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 518 | 4 | 0 | 4 | 4.7 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL322251 | 109140 | 4 | None | 35 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 518 | 4 | 0 | 4 | 4.7 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 511332 | 109140 | 4 | None | 35 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 518 | 4 | 0 | 4 | 4.7 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| CHEMBL322251 | 109140 | 4 | None | 35 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 518 | 4 | 0 | 4 | 4.7 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| 456375 | 10002 | 1 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 501 | 4 | 0 | 3 | 6.1 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| CHEMBL115487 | 10002 | 1 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 501 | 4 | 0 | 3 | 6.1 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| 457871 | 100256 | 1 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 483 | 4 | 1 | 3 | 5.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(Br)cc3)CC2)CC1 | 10.1021/jm015526o | ||
| CHEMBL292625 | 100256 | 1 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 483 | 4 | 1 | 3 | 5.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(Br)cc3)CC2)CC1 | 10.1021/jm015526o | ||
| 9579320 | 9162 | 0 | None | - | 1 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 556 | 6 | 1 | 6 | 5.3 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc(O)nc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL110757 | 9162 | 0 | None | - | 1 | Mouse | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 556 | 6 | 1 | 6 | 5.3 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc(O)nc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| 457871 | 100256 | 1 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 483 | 4 | 1 | 3 | 5.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL292625 | 100256 | 1 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 483 | 4 | 1 | 3 | 5.6 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| 511332 | 109140 | 4 | None | 35 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 518 | 4 | 0 | 4 | 4.7 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| CHEMBL322251 | 109140 | 4 | None | 35 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 518 | 4 | 0 | 4 | 4.7 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| 462409 | 110202 | 1 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 561 | 4 | 1 | 4 | 5.1 | Cc1cccc(O)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| CHEMBL326020 | 110202 | 1 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 561 | 4 | 1 | 4 | 5.1 | Cc1cccc(O)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| 5496107 | 116036 | 1 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 556 | 6 | 1 | 6 | 5.3 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc(O)nc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL336246 | 116036 | 1 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 556 | 6 | 1 | 6 | 5.3 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc(O)nc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 9579327 | 5259 | 0 | None | - | 1 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 548 | 6 | 0 | 6 | 4.6 | CO/N=C(\c1ccc(OC(F)(F)F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL106813 | 5259 | 0 | None | - | 1 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 548 | 6 | 0 | 6 | 4.6 | CO/N=C(\c1ccc(OC(F)(F)F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm0200815 | ||
| 5496114 | 118268 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 548 | 6 | 0 | 6 | 4.6 | CO/N=C(/c1ccc(OC(F)(F)F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL341945 | 118268 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 548 | 6 | 0 | 6 | 4.6 | CO/N=C(/c1ccc(OC(F)(F)F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 | 10.1021/jm030265z | ||
| 463502 | 202297 | 1 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 589 | 6 | 0 | 7 | 4.7 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| CHEMBL69581 | 202297 | 1 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 589 | 6 | 0 | 7 | 4.7 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| 9579311 | 5195 | 0 | None | - | 1 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 511 | 4 | 1 | 4 | 5.7 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N/O)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL106468 | 5195 | 0 | None | - | 1 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 511 | 4 | 1 | 4 | 5.7 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N/O)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| 5496098 | 118476 | 1 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 511 | 4 | 1 | 4 | 5.7 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\O)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL342452 | 118476 | 1 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 511 | 4 | 1 | 4 | 5.7 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\O)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| 484581 | 110110 | 2 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 545 | 4 | 0 | 3 | 5.1 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN(Cc3ccc(I)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| CHEMBL325556 | 110110 | 2 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 545 | 4 | 0 | 3 | 5.1 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN(Cc3ccc(I)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| 511309 | 5330 | 1 | None | -1 | 2 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 494 | 4 | 0 | 2 | 6.5 | C=C(c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL107154 | 5330 | 1 | None | -1 | 2 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 494 | 4 | 0 | 2 | 6.5 | C=C(c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm0200815 | ||
| 511309 | 5330 | 1 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 494 | 4 | 0 | 2 | 6.5 | C=C(c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL107154 | 5330 | 1 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 494 | 4 | 0 | 2 | 6.5 | C=C(c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 484581 | 110110 | 2 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 545 | 4 | 0 | 3 | 5.1 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN(Cc3ccc(I)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| CHEMBL325556 | 110110 | 2 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 545 | 4 | 0 | 3 | 5.1 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN(Cc3ccc(I)cc3)[C@@H](C)C2)CC1 | 10.1021/jm030265z | ||
| 5495586 | 118228 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 569 | 7 | 0 | 6 | 5.6 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OCC(C)C)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL341758 | 118228 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 569 | 7 | 0 | 6 | 5.6 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OCC(C)C)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| 5495586 | 118228 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 569 | 7 | 0 | 6 | 5.6 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OCC(C)C)c3ccc(Br)cc3)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL341758 | 118228 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 569 | 7 | 0 | 6 | 5.6 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OCC(C)C)c3ccc(Br)cc3)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| 6533780 | 28567 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)c[n+]([O-])cc3C)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL137856 | 28567 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)c[n+]([O-])cc3C)CC2)CC1 | 10.1021/jm030265z | ||
| 5495580 | 54785 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)c[n+]([O-])cc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| CHEMBL161664 | 54785 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)c[n+]([O-])cc3C)CC2)CC1 | 10.1016/s0960-894x(02)01063-6 | ||
| 2600 | 3720 | 73 | None | -5 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 2608 | 3720 | 73 | None | -5 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 5405 | 3720 | 73 | None | -5 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| CHEMBL17157 | 3720 | 73 | None | -5 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| DB00342 | 3720 | 73 | None | -5 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | nan | ||
| 511296 | 9118 | 1 | None | -1 | 2 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 450 | 5 | 0 | 3 | 6.0 | CSc1ccc(CC2CCN(C3(C)CCN(C(=O)c4c(C)cccc4C)CC3)CC2)cc1 | 10.1021/jm0200815 | ||
| CHEMBL110463 | 9118 | 1 | None | -1 | 2 | Mouse | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 450 | 5 | 0 | 3 | 6.0 | CSc1ccc(CC2CCN(C3(C)CCN(C(=O)c4c(C)cccc4C)CC3)CC2)cc1 | 10.1021/jm0200815 | ||
| 511296 | 9118 | 1 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 450 | 5 | 0 | 3 | 6.0 | CSc1ccc(CC2CCN(C3(C)CCN(C(=O)c4c(C)cccc4C)CC3)CC2)cc1 | 10.1021/jm030265z | ||
| CHEMBL110463 | 9118 | 1 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 450 | 5 | 0 | 3 | 6.0 | CSc1ccc(CC2CCN(C3(C)CCN(C(=O)c4c(C)cccc4C)CC3)CC2)cc1 | 10.1021/jm030265z | ||
| 9579313 | 162776 | 0 | None | - | 1 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 567 | 5 | 0 | 4 | 7.0 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N/OC(C)(C)C)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL418997 | 162776 | 0 | None | - | 1 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 567 | 5 | 0 | 4 | 7.0 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N/OC(C)(C)C)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| 5496100 | 116222 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 567 | 5 | 0 | 4 | 7.0 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OC(C)(C)C)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| CHEMBL337364 | 116222 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 567 | 5 | 0 | 4 | 7.0 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OC(C)(C)C)c3ccc(Br)cc3)CC2)CC1 | 10.1021/jm030265z | ||
| 503637 | 56053 | 1 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 2.4 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCCCC2)CC1 | 10.1016/s0960-894x(02)01062-4 | ||
| CHEMBL163078 | 56053 | 1 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 2.4 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCCCC2)CC1 | 10.1016/s0960-894x(02)01062-4 | ||
| 503637 | 56053 | 1 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 2.4 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCCCC2)CC1 | 10.1016/s0960-894x(02)01062-4 | ||
| CHEMBL163078 | 56053 | 1 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 2.4 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCCCC2)CC1 | 10.1016/s0960-894x(02)01062-4 | ||
| 3002977 | 2426 | 70 | None | - | 2 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | None | ||
| 803 | 2426 | 70 | None | - | 2 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | None | ||
| 806 | 2426 | 70 | None | - | 2 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | None | ||
| CHEMBL1201187 | 2426 | 70 | None | - | 2 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | None | ||
| CHEMBL256907 | 2426 | 70 | None | - | 2 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | None | ||
| CHEMBL584744 | 2426 | 70 | None | - | 2 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | None | ||
| DB04835 | 2426 | 70 | None | - | 2 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | None | ||
| 11598 | 666 | 6 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | Guide to Pharmacology | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 30891130 | ||
| 23725177 | 666 | 6 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | Guide to Pharmacology | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 30891130 | ||
| CHEMBL4442783 | 666 | 6 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | Guide to Pharmacology | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 30891130 | ||
| 11614352 | 544 | 1 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | Guide to Pharmacology | 639 | 11 | 0 | 6 | 4.1 | CCN(C(=O)Cc1ccc(cc1)S(=O)(=O)C)C1CCN(CC1)CC[C@@H](c1cc(F)cc(c1)F)C1CCN(CC1)S(=O)(=O)C | 22266038 | ||
| 7686 | 544 | 1 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | Guide to Pharmacology | 639 | 11 | 0 | 6 | 4.1 | CCN(C(=O)Cc1ccc(cc1)S(=O)(=O)C)C1CCN(CC1)CC[C@@H](c1cc(F)cc(c1)F)C1CCN(CC1)S(=O)(=O)C | 22266038 | ||
| CHEMBL1951914 | 544 | 1 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | Guide to Pharmacology | 639 | 11 | 0 | 6 | 4.1 | CCN(C(=O)Cc1ccc(cc1)S(=O)(=O)C)C1CCN(CC1)CC[C@@H](c1cc(F)cc(c1)F)C1CCN(CC1)S(=O)(=O)C | 22266038 | ||
| 10416 | 1849 | 23 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | Guide to Pharmacology | 548 | 9 | 3 | 8 | 4.0 | COc1cccc2c1c(nn2Cc1cccc(c1)CNC(=O)C(O)(C)C)NS(=O)(=O)c1ccc(s1)Cl | 23409871 | ||
| 46861584 | 1849 | 23 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | Guide to Pharmacology | 548 | 9 | 3 | 8 | 4.0 | COc1cccc2c1c(nn2Cc1cccc(c1)CNC(=O)C(O)(C)C)NS(=O)(=O)c1ccc(s1)Cl | 23409871 | ||
| CHEMBL2018969 | 1849 | 23 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | Guide to Pharmacology | 548 | 9 | 3 | 8 | 4.0 | COc1cccc2c1c(nn2Cc1cccc(c1)CNC(=O)C(O)(C)C)NS(=O)(=O)c1ccc(s1)Cl | 23409871 | ||
| 3002977 | 2426 | 70 | None | -3 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | None | ||
| 803 | 2426 | 70 | None | -3 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | None | ||
| 806 | 2426 | 70 | None | -3 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | None | ||
| CHEMBL1201187 | 2426 | 70 | None | -3 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | None | ||
| CHEMBL256907 | 2426 | 70 | None | -3 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | None | ||
| CHEMBL584744 | 2426 | 70 | None | -3 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | None | ||
| DB04835 | 2426 | 70 | None | -3 | 2 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | None | ||
| 1638 | 2683 | 33 | None | -6 | 16 | Mouse | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | None | ||
| 1676 | 2683 | 33 | None | -6 | 16 | Mouse | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | None | ||
| 1878 | 2683 | 33 | None | -6 | 16 | Mouse | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | None | ||
| 5284596 | 2683 | 33 | None | -6 | 16 | Mouse | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | None | ||
| CHEMBL80 | 2683 | 33 | None | -6 | 16 | Mouse | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | None | ||
| DB01183 | 2683 | 33 | None | -6 | 16 | Mouse | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 327 | 2 | 2 | 5 | 1.3 | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O | None | ||
| 802 | 411 | 9 | None | -1 | 2 | Human | 8.9 | pKd | None | 8.9 | Binding | Guide to Pharmacology | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 16304152 | ||
| 804 | 411 | 9 | None | -1 | 2 | Human | 8.9 | pKd | None | 8.9 | Binding | Guide to Pharmacology | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 16304152 | ||
| 9574343 | 411 | 9 | None | -1 | 2 | Human | 8.9 | pKd | None | 8.9 | Binding | Guide to Pharmacology | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 16304152 | ||
| CHEMBL78535 | 411 | 9 | None | -1 | 2 | Human | 8.9 | pKd | None | 8.9 | Binding | Guide to Pharmacology | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 16304152 | ||
| 3002977 | 2426 | 70 | None | -3 | 2 | Human | 9.1 | pKd | None | 9.1 | Binding | Guide to Pharmacology | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 16298345 | ||
| 803 | 2426 | 70 | None | -3 | 2 | Human | 9.1 | pKd | None | 9.1 | Binding | Guide to Pharmacology | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 16298345 | ||
| 806 | 2426 | 70 | None | -3 | 2 | Human | 9.1 | pKd | None | 9.1 | Binding | Guide to Pharmacology | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 16298345 | ||
| CHEMBL1201187 | 2426 | 70 | None | -3 | 2 | Human | 9.1 | pKd | None | 9.1 | Binding | Guide to Pharmacology | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 16298345 | ||
| CHEMBL256907 | 2426 | 70 | None | -3 | 2 | Human | 9.1 | pKd | None | 9.1 | Binding | Guide to Pharmacology | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 16298345 | ||
| CHEMBL584744 | 2426 | 70 | None | -3 | 2 | Human | 9.1 | pKd | None | 9.1 | Binding | Guide to Pharmacology | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 16298345 | ||
| DB04835 | 2426 | 70 | None | -3 | 2 | Human | 9.1 | pKd | None | 9.1 | Binding | Guide to Pharmacology | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | 16298345 | ||
| 3117 | 206106 | 100 | None | -8 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | None | ||
| CHEMBL964 | 206106 | 100 | None | -8 | 16 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | None | ||
| 2600 | 3720 | 73 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
| 2608 | 3720 | 73 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
| 5405 | 3720 | 73 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
| CHEMBL17157 | 3720 | 73 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
| DB00342 | 3720 | 73 | None | -5 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | None | ||
| 3002977 | 2426 | 70 | None | 3 | 2 | Rhesus macaque | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | None | ||
| 803 | 2426 | 70 | None | 3 | 2 | Rhesus macaque | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | None | ||
| 806 | 2426 | 70 | None | 3 | 2 | Rhesus macaque | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | None | ||
| CHEMBL1201187 | 2426 | 70 | None | 3 | 2 | Rhesus macaque | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | None | ||
| CHEMBL256907 | 2426 | 70 | None | 3 | 2 | Rhesus macaque | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | None | ||
| CHEMBL584744 | 2426 | 70 | None | 3 | 2 | Rhesus macaque | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | None | ||
| DB04835 | 2426 | 70 | None | 3 | 2 | Rhesus macaque | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 513 | 8 | 1 | 5 | 6.0 | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C | None | ||
| 753 | 816 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | None | None | None | None | 16298345 | ||||
| 771 | 825 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 16298345 | ||||
| 759 | 854 | 0 | None | -25 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 16298345 | ||||
| 183790 | 3685 | 8 | None | 3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 16476734 | ||
| 783 | 3685 | 8 | None | 3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 16476734 | ||
| CHEMBL1178786 | 3685 | 8 | None | 3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 16476734 | ||
| 802 | 411 | 9 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 11585437 | ||
| 802 | 411 | 9 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 16304152 | ||
| 802 | 411 | 9 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 16476734 | ||
| 804 | 411 | 9 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 11585437 | ||
| 804 | 411 | 9 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 16304152 | ||
| 804 | 411 | 9 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 16476734 | ||
| 9574343 | 411 | 9 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 11585437 | ||
| 9574343 | 411 | 9 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 16304152 | ||
| 9574343 | 411 | 9 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 16476734 | ||
| CHEMBL78535 | 411 | 9 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 11585437 | ||
| CHEMBL78535 | 411 | 9 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 16304152 | ||
| CHEMBL78535 | 411 | 9 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Guide to Pharmacology | 556 | 6 | 0 | 5 | 4.8 | CCO/N=C(\c1ccc(cc1)Br)/C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+](c1C)[O-] | 16476734 | ||
| 756 | 845 | 0 | None | -3 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 11170631 | ||||
| 756 | 845 | 0 | None | -3 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 16298345 | ||||
| 756 | 845 | 0 | None | -3 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9790730 | ||||
| 3001322 | 439 | 19 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 16476734 | ||
| 805 | 439 | 19 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 16476734 | ||
| CHEMBL1255794 | 439 | 19 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 16476734 | ||
| DB06497 | 439 | 19 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 577 | 10 | 3 | 6 | 4.6 | CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(cc1)Oc1ccc(cc1)C(=O)O)[C@@H](C1CCCCC1)O | 16476734 | ||
| 3009355 | 3926 | 21 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 16304152 | ||
| 807 | 3926 | 21 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 16304152 | ||
| CHEMBL82301 | 3926 | 21 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 16304152 | ||
| DB06652 | 3926 | 21 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 533 | 6 | 0 | 6 | 4.5 | COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F | 16304152 | ||
| 772 | 857 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 9790730 | ||||
| 758 | 851 | 0 | None | 3 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | None | None | None | None | 10318947 | ||||
| 758 | 851 | 0 | None | 3 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | None | None | None | None | 16298345 | ||||
| 758 | 851 | 0 | None | 3 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | None | None | None | None | 9790730 | ||||
| 757 | 849 | 0 | None | 112 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | None | None | None | None | 16298345 | ||||
| 757 | 849 | 0 | None | 112 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | None | None | None | None | 9790730 | ||||
| 760 | 1625 | 0 | None | 3 | 2 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | None | None | None | None | 11170631 | ||||
| 752 | 702 | 0 | None | -12 | 2 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 11170631 | ||||
| 770 | 815 | 0 | None | 79 | 2 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 9790730 | ||||