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 |
| 93149 | 107174 | 84 | None | -1 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1ccnc2c1ccc1cccnc12 | 10.1021/jm301121j | ||
| CHEMBL316589 | 107174 | 84 | None | -1 | 3 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1ccnc2c1ccc1cccnc12 | 10.1021/jm301121j | ||
| 336912 | 83755 | 30 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 240 | 2 | 2 | 4 | 1.8 | OCc1ccc2ccc3ccc(CO)nc3c2n1 | 10.1021/jm301121j | ||
| CHEMBL2205802 | 83755 | 30 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 240 | 2 | 2 | 4 | 1.8 | OCc1ccc2ccc3ccc(CO)nc3c2n1 | 10.1021/jm301121j | ||
| 2733927 | 83760 | 97 | None | -1 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 216 | 3 | 0 | 4 | 2.2 | COc1ccnc(-c2cc(OC)ccn2)c1 | 10.1021/jm301121j | ||
| CHEMBL2205808 | 83760 | 97 | None | -1 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 216 | 3 | 0 | 4 | 2.2 | COc1ccnc(-c2cc(OC)ccn2)c1 | 10.1021/jm301121j | ||
| 667748 | 83757 | 86 | None | -3 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 267 | 2 | 0 | 3 | 3.9 | Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1 | 10.1021/jm301121j | ||
| CHEMBL2205805 | 83757 | 86 | None | -3 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 267 | 2 | 0 | 3 | 3.9 | Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1 | 10.1021/jm301121j | ||
| 20445 | 83758 | 115 | None | -2 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1cccc(-c2cccc(C)n2)n1 | 10.1021/jm301121j | ||
| CHEMBL2205806 | 83758 | 115 | None | -2 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1cccc(-c2cccc(C)n2)n1 | 10.1021/jm301121j | ||
| 667748 | 83757 | 86 | None | -3 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 267 | 2 | 0 | 3 | 3.9 | Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1 | 10.1021/jm301121j | ||
| CHEMBL2205805 | 83757 | 86 | None | -3 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 267 | 2 | 0 | 3 | 3.9 | Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1 | 10.1021/jm301121j | ||
| 15783796 | 83763 | 1 | None | -1 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1cnc2c(ccc3cccnc32)c1 | 10.1021/jm301121j | ||
| CHEMBL2205810 | 83763 | 1 | None | -1 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1cnc2c(ccc3cccnc32)c1 | 10.1021/jm301121j | ||
| 602123 | 83756 | 55 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccc2ccc3ccc(C=O)nc3c2n1 | 10.1021/jm301121j | ||
| CHEMBL2205803 | 83756 | 55 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccc2ccc3ccc(C=O)nc3c2n1 | 10.1021/jm301121j | ||
| 20445 | 83758 | 115 | None | -2 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1cccc(-c2cccc(C)n2)n1 | 10.1021/jm301121j | ||
| CHEMBL2205806 | 83758 | 115 | None | -2 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1cccc(-c2cccc(C)n2)n1 | 10.1021/jm301121j | ||
| 15783796 | 83763 | 1 | None | -1 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1cnc2c(ccc3cccnc32)c1 | 10.1021/jm301121j | ||
| CHEMBL2205810 | 83763 | 1 | None | -1 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1cnc2c(ccc3cccnc32)c1 | 10.1021/jm301121j | ||
| 602123 | 83756 | 55 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccc2ccc3ccc(C=O)nc3c2n1 | 10.1021/jm301121j | ||
| CHEMBL2205803 | 83756 | 55 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccc2ccc3ccc(C=O)nc3c2n1 | 10.1021/jm301121j | ||
| 74265 | 208324 | 115 | None | -3 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 236 | 0 | 0 | 2 | 4.0 | Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C | 10.1021/jm301121j | ||
| CHEMBL99384 | 208324 | 115 | None | -3 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 236 | 0 | 0 | 2 | 4.0 | Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C | 10.1021/jm301121j | ||
| 353741 | 72035 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 364 | 2 | 0 | 2 | 4.6 | BrCc1ccc2ccc3ccc(CBr)nc3c2n1 | 10.1021/jm301121j | ||
| CHEMBL1976682 | 72035 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 364 | 2 | 0 | 2 | 4.6 | BrCc1ccc2ccc3ccc(CBr)nc3c2n1 | 10.1021/jm301121j | ||
| 65237 | 137599 | 105 | None | 28 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccc2ccc3ccc(C)nc3c2n1 | 10.1021/jm301121j | ||
| CHEMBL375781 | 137599 | 105 | None | 28 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccc2ccc3ccc(C)nc3c2n1 | 10.1021/jm301121j | ||
| 74265 | 208324 | 115 | None | -3 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 236 | 0 | 0 | 2 | 4.0 | Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C | 10.1021/jm301121j | ||
| CHEMBL99384 | 208324 | 115 | None | -3 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 236 | 0 | 0 | 2 | 4.0 | Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C | 10.1021/jm301121j | ||
| 353741 | 72035 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 364 | 2 | 0 | 2 | 4.6 | BrCc1ccc2ccc3ccc(CBr)nc3c2n1 | 10.1021/jm301121j | ||
| CHEMBL1976682 | 72035 | 7 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 364 | 2 | 0 | 2 | 4.6 | BrCc1ccc2ccc3ccc(CBr)nc3c2n1 | 10.1021/jm301121j | ||
| 15664 | 83759 | 101 | None | -3 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccc(-c2ccc(C)cn2)nc1 | 10.1021/jm301121j | ||
| CHEMBL2205807 | 83759 | 101 | None | -3 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccc(-c2ccc(C)cn2)nc1 | 10.1021/jm301121j | ||
| 65237 | 137599 | 105 | None | 28 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccc2ccc3ccc(C)nc3c2n1 | 10.1021/jm301121j | ||
| CHEMBL375781 | 137599 | 105 | None | 28 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccc2ccc3ccc(C)nc3c2n1 | 10.1021/jm301121j | ||
| 15664 | 83759 | 101 | None | -3 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccc(-c2ccc(C)cn2)nc1 | 10.1021/jm301121j | ||
| CHEMBL2205807 | 83759 | 101 | None | -3 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccc(-c2ccc(C)cn2)nc1 | 10.1021/jm301121j | ||
| 72791 | 208217 | 76 | None | 1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1cc2cccnc2c2ncccc12 | 10.1021/jm301121j | ||
| CHEMBL98682 | 208217 | 76 | None | 1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1cc2cccnc2c2ncccc12 | 10.1021/jm301121j | ||
| 77865 | 107259 | 82 | None | -1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 214 | 0 | 0 | 2 | 3.4 | Clc1cc2cccnc2c2ncccc12 | 10.1021/jm301121j | ||
| CHEMBL317115 | 107259 | 82 | None | -1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 214 | 0 | 0 | 2 | 3.4 | Clc1cc2cccnc2c2ncccc12 | 10.1021/jm301121j | ||
| 72791 | 208217 | 76 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1cc2cccnc2c2ncccc12 | 10.1021/jm301121j | ||
| CHEMBL98682 | 208217 | 76 | None | 1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 194 | 0 | 0 | 2 | 3.1 | Cc1cc2cccnc2c2ncccc12 | 10.1021/jm301121j | ||
| 12041800 | 203470 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 410 | 7 | 2 | 4 | 6.4 | Clc1ccc2c(NCCCCNc3ccnc4cc(Cl)ccc34)ccnc2c1 | 10.1016/j.bmcl.2011.11.014 | ||
| CHEMBL66165 | 203470 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 410 | 7 | 2 | 4 | 6.4 | Clc1ccc2c(NCCCCNc3ccnc4cc(Cl)ccc34)ccnc2c1 | 10.1016/j.bmcl.2011.11.014 | ||
| 77865 | 107259 | 82 | None | -1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 214 | 0 | 0 | 2 | 3.4 | Clc1cc2cccnc2c2ncccc12 | 10.1021/jm301121j | ||
| CHEMBL317115 | 107259 | 82 | None | -1 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 214 | 0 | 0 | 2 | 3.4 | Clc1cc2cccnc2c2ncccc12 | 10.1021/jm301121j | ||
| 1474 | 154375 | 142 | None | 1 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 156 | 1 | 0 | 2 | 2.1 | c1ccc(-c2ccccn2)nc1 | 10.1021/jm301121j | ||
| CHEMBL39879 | 154375 | 142 | None | 1 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 156 | 1 | 0 | 2 | 2.1 | c1ccc(-c2ccccn2)nc1 | 10.1021/jm301121j | ||
| 1474 | 154375 | 142 | None | 1 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 156 | 1 | 0 | 2 | 2.1 | c1ccc(-c2ccccn2)nc1 | 10.1021/jm301121j | ||
| CHEMBL39879 | 154375 | 142 | None | 1 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 156 | 1 | 0 | 2 | 2.1 | c1ccc(-c2ccccn2)nc1 | 10.1021/jm301121j | ||
| 14338 | 4336 | 124 | None | -3 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccnc(-c2cc(C)ccn2)c1 | 10.1021/jm301121j | ||
| CHEMBL101165 | 4336 | 124 | None | -3 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccnc(-c2cc(C)ccn2)c1 | 10.1021/jm301121j | ||
| 14338 | 4336 | 124 | None | -3 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccnc(-c2cc(C)ccn2)c1 | 10.1021/jm301121j | ||
| CHEMBL101165 | 4336 | 124 | None | -3 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccnc(-c2cc(C)ccn2)c1 | 10.1021/jm301121j | ||
| 12987698 | 83761 | 4 | None | -2 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1cnc2c(ccc3cc(C)cnc32)c1 | 10.1021/jm301121j | ||
| CHEMBL2205809 | 83761 | 4 | None | -2 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1cnc2c(ccc3cc(C)cnc32)c1 | 10.1021/jm301121j | ||
| 14434082 | 83754 | 17 | None | 1 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccnc2c1ccc1c(C=O)ccnc12 | 10.1021/jm301121j | ||
| CHEMBL2205801 | 83754 | 17 | None | 1 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccnc2c1ccc1c(C=O)ccnc12 | 10.1021/jm301121j | ||
| 14434082 | 83754 | 17 | None | 1 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccnc2c1ccc1c(C=O)ccnc12 | 10.1021/jm301121j | ||
| CHEMBL2205801 | 83754 | 17 | None | 1 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccnc2c1ccc1c(C=O)ccnc12 | 10.1021/jm301121j | ||
| 12987698 | 83761 | 4 | None | -2 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1cnc2c(ccc3cc(C)cnc32)c1 | 10.1021/jm301121j | ||
| CHEMBL2205809 | 83761 | 4 | None | -2 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1cnc2c(ccc3cc(C)cnc32)c1 | 10.1021/jm301121j | ||
| 12425 | 6 | 126 | None | -5 | 4 | Human | 5.2 | pEC50 | = | 5.2 | 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 | 126 | None | -5 | 4 | Human | 5.2 | pEC50 | = | 5.2 | 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 | 126 | None | -5 | 4 | Human | 5.2 | pEC50 | = | 5.2 | 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 | 126 | None | -5 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| 12425 | 6 | 126 | None | -5 | 4 | Human | 5.2 | pEC50 | = | 5.2 | 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 | 126 | None | -5 | 4 | Human | 5.2 | pEC50 | = | 5.2 | 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 | 126 | None | -5 | 4 | Human | 5.2 | pEC50 | = | 5.2 | 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 | 126 | None | -5 | 4 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| 70848 | 206649 | 112 | None | -12 | 3 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 233 | 2 | 0 | 3 | 3.2 | c1ccc(-c2cccc(-c3ccccn3)n2)nc1 | 10.1021/jm301121j | ||
| CHEMBL89445 | 206649 | 112 | None | -12 | 3 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 233 | 2 | 0 | 3 | 3.2 | c1ccc(-c2cccc(-c3ccccn3)n2)nc1 | 10.1021/jm301121j | ||
| 70848 | 206649 | 112 | None | -12 | 3 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 233 | 2 | 0 | 3 | 3.2 | c1ccc(-c2cccc(-c3ccccn3)n2)nc1 | 10.1021/jm301121j | ||
| CHEMBL89445 | 206649 | 112 | None | -12 | 3 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 233 | 2 | 0 | 3 | 3.2 | c1ccc(-c2cccc(-c3ccccn3)n2)nc1 | 10.1021/jm301121j | ||
| 72792 | 199700 | 84 | None | -7 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccnc2c1ccc1c(C)ccnc12 | 10.1021/jm301121j | ||
| CHEMBL593442 | 199700 | 84 | None | -7 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccnc2c1ccc1c(C)ccnc12 | 10.1021/jm301121j | ||
| 72792 | 199700 | 84 | None | -7 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccnc2c1ccc1c(C)ccnc12 | 10.1021/jm301121j | ||
| CHEMBL593442 | 199700 | 84 | None | -7 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccnc2c1ccc1c(C)ccnc12 | 10.1021/jm301121j | ||
| 11151928 | 189463 | 0 | None | -1 | 4 | Human | 9.8 | pED50 | = | 9.8 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| CHEMBL513863 | 189463 | 0 | None | -1 | 4 | Human | 9.8 | pED50 | = | 9.8 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| 10456104 | 71953 | 0 | None | 56 | 2 | Human | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL197375 | 71953 | 0 | None | 56 | 2 | Human | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 59278332 | 171048 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 453 | 6 | 1 | 7 | 3.2 | CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4457209 | 171048 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 453 | 6 | 1 | 7 | 3.2 | CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 59278286 | 171531 | 1 | None | 112 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 453 | 6 | 1 | 7 | 3.2 | CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4464625 | 171531 | 1 | None | 112 | 2 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 453 | 6 | 1 | 7 | 3.2 | CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 45138759 | 172313 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 467 | 7 | 1 | 7 | 3.6 | CCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4475581 | 172313 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 467 | 7 | 1 | 7 | 3.6 | CCCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 512282 | 755 | 59 | None | 141 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| 767 | 755 | 59 | None | 141 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL232656 | 755 | 59 | None | 141 | 2 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| 6918497 | 113403 | 2 | None | -1 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL277930 | 113403 | 2 | None | -1 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL331897 | 113403 | 2 | None | -1 | 4 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| 66686405 | 175215 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 532 | 5 | 2 | 5 | 6.3 | CC(C)(O)c1ccc2c(c1)/C(=C\CCN1CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C1)c1cccnc1CO2 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4571977 | 175215 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 532 | 5 | 2 | 5 | 6.3 | CC(C)(O)c1ccc2c(c1)/C(=C\CCN1CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C1)c1cccnc1CO2 | 10.1016/j.bmcl.2018.11.015 | ||
| 9980155 | 71787 | 0 | None | 23 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 430 | 5 | 2 | 3 | 3.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1NC(N)=O | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL196860 | 71787 | 0 | None | 23 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 430 | 5 | 2 | 3 | 3.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1NC(N)=O | 10.1016/j.bmcl.2005.08.057 | ||
| 10003548 | 71943 | 0 | None | 223 | 2 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL197345 | 71943 | 0 | None | 223 | 2 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 11743399 | 72454 | 12 | None | 32 | 2 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 429 | 5 | 1 | 3 | 4.2 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198949 | 72454 | 12 | None | 32 | 2 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 429 | 5 | 1 | 3 | 4.2 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 44405176 | 135380 | 0 | None | 1 | 2 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 471 | 6 | 1 | 4 | 4.3 | COc1cc(/C=C/C(=O)N2C3CCC2CN(Cc2ccc(F)cc2)C3)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL372807 | 135380 | 0 | None | 1 | 2 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 471 | 6 | 1 | 4 | 4.3 | COc1cc(/C=C/C(=O)N2C3CCC2CN(Cc2ccc(F)cc2)C3)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| 44309143 | 203468 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 481 | 11 | 4 | 6 | 2.9 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NN | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL66159 | 203468 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 481 | 11 | 4 | 6 | 2.9 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NN | 10.1016/j.bmcl.2004.02.022 | ||
| 59278147 | 172970 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 492 | 5 | 1 | 6 | 3.9 | CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4518015 | 172970 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 492 | 5 | 1 | 6 | 3.9 | CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 512282 | 755 | 59 | None | 141 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2018.11.015 | ||
| 767 | 755 | 59 | None | 141 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL232656 | 755 | 59 | None | 141 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2018.11.015 | ||
| 59278115 | 174811 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 439 | 5 | 1 | 7 | 2.8 | CC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4562738 | 174811 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 439 | 5 | 1 | 7 | 2.8 | CC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 512282 | 755 | 59 | None | 141 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm801416q | ||
| 767 | 755 | 59 | None | 141 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm801416q | ||
| CHEMBL232656 | 755 | 59 | None | 141 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm801416q | ||
| 10434371 | 72928 | 0 | None | 5 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 459 | 6 | 1 | 4 | 4.2 | COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200629 | 72928 | 0 | None | 5 | 2 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 459 | 6 | 1 | 4 | 4.2 | COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| 52916803 | 170958 | 18 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4456123 | 170958 | 18 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| 155511620 | 169562 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 453 | 6 | 1 | 3 | 6.3 | CCC[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cccc(C(F)(F)F)c1F | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4436061 | 169562 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 453 | 6 | 1 | 3 | 6.3 | CCC[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cccc(C(F)(F)F)c1F | 10.1016/j.bmcl.2018.11.015 | ||
| 11554849 | 72823 | 0 | None | 2 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 484 | 7 | 1 | 4 | 3.9 | CN(C)CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200242 | 72823 | 0 | None | 2 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 484 | 7 | 1 | 4 | 3.9 | CN(C)CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| 44453265 | 95357 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 442 | 7 | 2 | 4 | 3.6 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256821 | 95357 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 442 | 7 | 2 | 4 | 3.6 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453400 | 95504 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 460 | 7 | 2 | 4 | 3.8 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL257509 | 95504 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 460 | 7 | 2 | 4 | 3.8 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 10003548 | 71943 | 0 | None | 223 | 2 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL197345 | 71943 | 0 | None | 223 | 2 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 10072252 | 72589 | 0 | None | -17 | 2 | Mouse | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 446 | 5 | 1 | 4 | 4.1 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL199412 | 72589 | 0 | None | -17 | 2 | Mouse | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 446 | 5 | 1 | 4 | 4.1 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 44405203 | 72457 | 0 | None | 31 | 2 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.5 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)oc12 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198966 | 72457 | 0 | None | 31 | 2 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.5 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)oc12 | 10.1016/j.bmcl.2005.08.057 | ||
| 44405202 | 72965 | 0 | None | 17 | 2 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 442 | 4 | 2 | 3 | 4.3 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)[nH]c12 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200794 | 72965 | 0 | None | 17 | 2 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 442 | 4 | 2 | 3 | 4.3 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)[nH]c12 | 10.1016/j.bmcl.2005.08.057 | ||
| 76322249 | 106153 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 880 | 16 | 6 | 6 | 11.0 | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(C(=O)NCC(=O)O)c5)c5cc(Cl)c(O)c(C(=O)NCC(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||
| CHEMBL3137848 | 106153 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 880 | 16 | 6 | 6 | 11.0 | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(C(=O)NCC(=O)O)c5)c5cc(Cl)c(O)c(C(=O)NCC(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||
| CHEMBL3138130 | 211096 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | None | None | None | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6cccc(C(=O)O)c6)c(C(=O)O)c5)c5cc(Cl)c(OCc6cccc(C(=O)O)c6)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||||
| CHEMBL3138370 | 211096 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | None | None | None | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6cccc(C(=O)O)c6)c(C(=O)O)c5)c5cc(Cl)c(OCc6cccc(C(=O)O)c6)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||||
| 44453225 | 95709 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 440 | 4 | 1 | 5 | 3.5 | O=S(=O)(c1cccs1)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258368 | 95709 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 440 | 4 | 1 | 5 | 3.5 | O=S(=O)(c1cccs1)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10003548 | 71943 | 0 | None | 223 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL197345 | 71943 | 0 | None | 223 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 10789018 | 35146 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 435 | 7 | 1 | 4 | 5.1 | N#Cc1ccc(C2(O)CCN(CCCC(C#N)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1021/jm990316l | ||
| CHEMBL143499 | 35146 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 435 | 7 | 1 | 4 | 5.1 | N#Cc1ccc(C2(O)CCN(CCCC(C#N)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1021/jm990316l | ||
| 44453503 | 95050 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 490 | 8 | 2 | 5 | 4.7 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1ccsc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL255338 | 95050 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 490 | 8 | 2 | 5 | 4.7 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1ccsc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 58138765 | 174391 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 413 | 4 | 1 | 3 | 5.1 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1cccc(F)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4552741 | 174391 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 413 | 4 | 1 | 3 | 5.1 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1cccc(F)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44309194 | 203516 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 464 | 11 | 4 | 6 | 2.4 | CC(C)(O)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL66457 | 203516 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 464 | 11 | 4 | 6 | 2.4 | CC(C)(O)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| 44430752 | 87968 | 0 | None | 147 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 599 | 11 | 2 | 9 | 2.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCOCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL234295 | 87968 | 0 | None | 147 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 599 | 11 | 2 | 9 | 2.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCOCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44430752 | 87968 | 0 | None | 147 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 599 | 11 | 2 | 9 | 2.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCOCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL234295 | 87968 | 0 | None | 147 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 599 | 11 | 2 | 9 | 2.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCOCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 59278305 | 170008 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 424 | 5 | 1 | 6 | 2.9 | CS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4442765 | 170008 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 424 | 5 | 1 | 6 | 2.9 | CS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 59278307 | 171527 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 453 | 5 | 1 | 7 | 3.0 | CC(C)(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4464575 | 171527 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 453 | 5 | 1 | 7 | 3.0 | CC(C)(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44470374 | 175852 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 507 | 6 | 1 | 6 | 3.0 | CN1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cccc4c3cnn4-c3ccc(F)cc3)cc2)CC1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4586189 | 175852 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 507 | 6 | 1 | 6 | 3.0 | CN1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cccc4c3cnn4-c3ccc(F)cc3)cc2)CC1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44453162 | 95241 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 526 | 4 | 1 | 4 | 4.6 | CC1CC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1S(=O)(=O)c1ccccc1Br | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256272 | 95241 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 526 | 4 | 1 | 4 | 4.6 | CC1CC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1S(=O)(=O)c1ccccc1Br | 10.1016/j.bmcl.2007.09.068 | ||
| 44453199 | 95638 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 422 | 7 | 2 | 4 | 3.3 | Cc1ccc(S(=O)(=O)NCCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258064 | 95638 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 422 | 7 | 2 | 4 | 3.3 | Cc1ccc(S(=O)(=O)NCCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44469804 | 171994 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 424 | 5 | 1 | 6 | 2.9 | CS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cn1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4471579 | 171994 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 424 | 5 | 1 | 6 | 2.9 | CS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cn1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44405203 | 72457 | 0 | None | 31 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.5 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)oc12 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198966 | 72457 | 0 | None | 31 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.5 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)oc12 | 10.1016/j.bmcl.2005.08.057 | ||
| 44309407 | 102937 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 476 | 9 | 4 | 6 | 2.5 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1(O)CCCCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL306457 | 102937 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 476 | 9 | 4 | 6 | 2.5 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1(O)CCCCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 44468442 | 170527 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 413 | 4 | 1 | 3 | 5.1 | O=C(NCc1ccccc1C(F)(F)F)c1cccc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4450029 | 170527 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 413 | 4 | 1 | 3 | 5.1 | O=C(NCc1ccccc1C(F)(F)F)c1cccc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 155530458 | 171515 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 409 | 5 | 2 | 4 | 4.0 | O=C(NCc1cccc(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)cc2)c1CO | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4464403 | 171515 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 409 | 5 | 2 | 4 | 4.0 | O=C(NCc1cccc(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)cc2)c1CO | 10.1016/j.bmcl.2018.11.015 | ||
| 44468440 | 173334 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 346 | 4 | 1 | 4 | 3.5 | O=C(NCc1ccncc1)c1cccc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4527255 | 173334 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 346 | 4 | 1 | 4 | 3.5 | O=C(NCc1ccncc1)c1cccc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44453357 | 97495 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 434 | 4 | 1 | 4 | 3.5 | O=S(=O)(c1ccccc1)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270419 | 97495 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 434 | 4 | 1 | 4 | 3.5 | O=S(=O)(c1ccccc1)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453525 | 97475 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 452 | 4 | 1 | 4 | 3.6 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270358 | 97475 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 452 | 4 | 1 | 4 | 3.6 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309161 | 204019 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 462 | 9 | 3 | 6 | 2.3 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCOCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL69876 | 204019 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 462 | 9 | 3 | 6 | 2.3 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCOCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL3138123 | 211094 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)c1cc(C(=CCC[C@H]2CC[C@@]3(C)C(CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3C(C)CCCC(C)C)C2)c2cc(Cl)c(O)c(C(=O)N[C@@H](CCSC)C(=O)O)c2)cc(Cl)c1O)C(=O)O | 10.1016/s0960-894x(00)00601-6 | ||||
| 44453638 | 166458 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL427834 | 166458 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44430746 | 87088 | 0 | None | 41 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 530 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCO)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232638 | 87088 | 0 | None | 41 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 530 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCO)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 155564974 | 175453 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 439 | 5 | 1 | 3 | 5.9 | CC[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cccc(C(F)(F)F)c1F | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4577357 | 175453 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 439 | 5 | 1 | 3 | 5.9 | CC[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cccc(C(F)(F)F)c1F | 10.1016/j.bmcl.2018.11.015 | ||
| 10388824 | 133413 | 0 | None | 4 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 445 | 5 | 1 | 3 | 4.7 | CC(=O)Nc1cc2ccccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL370596 | 133413 | 0 | None | 4 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 445 | 5 | 1 | 3 | 4.7 | CC(=O)Nc1cc2ccccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 44309397 | 203786 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 466 | 11 | 3 | 5 | 3.4 | CC(C)(F)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL68366 | 203786 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 466 | 11 | 3 | 5 | 3.4 | CC(C)(F)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| 44453320 | 97461 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270253 | 97461 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453579 | 155564 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 482 | 4 | 1 | 4 | 4.5 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL404465 | 155564 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 482 | 4 | 1 | 4 | 4.5 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309364 | 203897 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 494 | 12 | 3 | 5 | 4.0 | CCNC(=O)C(CCC(C)(C)F)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL69123 | 203897 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 494 | 12 | 3 | 5 | 4.0 | CCNC(=O)C(CCC(C)(C)F)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.022 | ||
| 44453615 | 95135 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Br)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL255797 | 95135 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Br)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453402 | 95544 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc(Cl)cc(Cl)c1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL257698 | 95544 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc(Cl)cc(Cl)c1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10456104 | 71953 | 0 | None | 56 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL197375 | 71953 | 0 | None | 56 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 44430723 | 86812 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 544 | 8 | 2 | 7 | 3.1 | CNc1c(Nc2cc(Br)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232253 | 86812 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 544 | 8 | 2 | 7 | 3.1 | CNc1c(Nc2cc(Br)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453614 | 155241 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Br)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL402825 | 155241 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Br)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| 24758044 | 82834 | 0 | None | 14 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180528 | 82834 | 0 | None | 14 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44480600 | 175037 | 1 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 446 | 7 | 1 | 6 | 3.9 | CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cncc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4568048 | 175037 | 1 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 446 | 7 | 1 | 6 | 3.9 | CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cncc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.11.015 | ||
| 44405212 | 72939 | 0 | None | 1 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 458 | 5 | 1 | 4 | 4.2 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200680 | 72939 | 0 | None | 1 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 458 | 5 | 1 | 4 | 4.2 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| 10001921 | 72424 | 0 | None | 3 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 415 | 5 | 1 | 3 | 3.8 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198852 | 72424 | 0 | None | 3 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 415 | 5 | 1 | 3 | 3.8 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2005.08.057 | ||
| 512282 | 755 | 59 | None | -141 | 2 | Mouse | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| 767 | 755 | 59 | None | -141 | 2 | Mouse | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL232656 | 755 | 59 | None | -141 | 2 | Mouse | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| 10388824 | 133413 | 0 | None | 4 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 445 | 5 | 1 | 3 | 4.7 | CC(=O)Nc1cc2ccccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL370596 | 133413 | 0 | None | 4 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 445 | 5 | 1 | 3 | 4.7 | CC(=O)Nc1cc2ccccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 49865900 | 16151 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 448 | 4 | 1 | 3 | 6.0 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCC1c1nccn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL1224118 | 16151 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 448 | 4 | 1 | 3 | 6.0 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCC1c1nccn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| 24782574 | 179338 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 453 | 4 | 1 | 2 | 5.3 | Cc1cc(C(F)(F)F)ccc1NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| CHEMBL473734 | 179338 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 453 | 4 | 1 | 2 | 5.3 | Cc1cc(C(F)(F)F)ccc1NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| 9980155 | 71787 | 0 | None | 23 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 430 | 5 | 2 | 3 | 3.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1NC(N)=O | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL196860 | 71787 | 0 | None | 23 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 430 | 5 | 2 | 3 | 3.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1NC(N)=O | 10.1016/j.bmcl.2005.08.057 | ||
| 44405234 | 133265 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL370447 | 133265 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 10575889 | 33659 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 458 | 8 | 1 | 3 | 6.3 | N#CC(CCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL142199 | 33659 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 458 | 8 | 1 | 3 | 6.3 | N#CC(CCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 44453084 | 95239 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 422 | 6 | 2 | 3 | 4.6 | O=C(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256264 | 95239 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 422 | 6 | 2 | 3 | 4.6 | O=C(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44430713 | 86687 | 0 | None | 30 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL231829 | 86687 | 0 | None | 30 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 58138868 | 170524 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 414 | 4 | 1 | 4 | 4.5 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(F)nc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4449996 | 170524 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 414 | 4 | 1 | 4 | 4.5 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(F)nc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 58138852 | 174041 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 452 | 7 | 2 | 5 | 3.4 | CCNS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4544186 | 174041 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 452 | 7 | 2 | 5 | 3.4 | CCNS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 58138832 | 169852 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 403 | 5 | 1 | 5 | 3.9 | COC(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4440452 | 169852 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 403 | 5 | 1 | 5 | 3.9 | COC(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 155544726 | 174916 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 403 | 5 | 1 | 5 | 3.2 | Cc1c(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cnn1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4565390 | 174916 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 403 | 5 | 1 | 5 | 3.2 | Cc1c(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cnn1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| 44405194 | 71804 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 427 | 5 | 1 | 3 | 3.9 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@H]2C[C@@H]1CN2Cc1ccc(F)cc1 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL196908 | 71804 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 427 | 5 | 1 | 3 | 3.9 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@H]2C[C@@H]1CN2Cc1ccc(F)cc1 | 10.1016/j.bmcl.2005.08.057 | ||
| 44405181 | 132799 | 0 | None | 51 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 3.6 | CC(=O)Nc1cc(Cl)ccc1NCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL370162 | 132799 | 0 | None | 51 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 3.6 | CC(=O)Nc1cc(Cl)ccc1NCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 512282 | 755 | 59 | None | 141 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.104 | ||
| 767 | 755 | 59 | None | 141 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232656 | 755 | 59 | None | 141 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.104 | ||
| 512282 | 755 | 59 | None | 141 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.104 | ||
| 767 | 755 | 59 | None | 141 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232656 | 755 | 59 | None | 141 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.104 | ||
| 44430713 | 86687 | 0 | None | 30 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL231829 | 86687 | 0 | None | 30 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453467 | 95703 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 502 | 4 | 1 | 4 | 4.8 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)c(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258359 | 95703 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 502 | 4 | 1 | 4 | 4.8 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)c(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453363 | 97498 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 458 | 7 | 2 | 4 | 4.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc2ccccc12 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270433 | 97498 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 458 | 7 | 2 | 4 | 4.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc2ccccc12 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453501 | 97778 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Br)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL271903 | 97778 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Br)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453292 | 155455 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 448 | 4 | 1 | 4 | 3.8 | Cc1ccccc1S(=O)(=O)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL404033 | 155455 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 448 | 4 | 1 | 4 | 3.8 | Cc1ccccc1S(=O)(=O)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 58138893 | 175462 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 466 | 7 | 2 | 5 | 3.8 | CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4577460 | 175462 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 466 | 7 | 2 | 5 | 3.8 | CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 11801020 | 12216 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 434 | 7 | 1 | 1 | 6.4 | C[N+]1(CCCC(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL1184558 | 12216 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 434 | 7 | 1 | 1 | 6.4 | C[N+]1(CCCC(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL356099 | 12216 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 434 | 7 | 1 | 1 | 6.4 | C[N+]1(CCCC(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| 22725647 | 173675 | 0 | None | -52 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4535696 | 173675 | 0 | None | -52 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 44430745 | 142026 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 544 | 11 | 2 | 8 | 3.0 | COCCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL387822 | 142026 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 544 | 11 | 2 | 8 | 3.0 | COCCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 45138458 | 171664 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 439 | 6 | 1 | 7 | 2.7 | CCS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4466500 | 171664 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 439 | 6 | 1 | 7 | 2.7 | CCS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44453164 | 95705 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 492 | 8 | 2 | 5 | 3.9 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1OC(F)(F)F | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258361 | 95705 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 492 | 8 | 2 | 5 | 3.9 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1OC(F)(F)F | 10.1016/j.bmcl.2007.09.068 | ||
| 10001921 | 72424 | 0 | None | 3 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 415 | 5 | 1 | 3 | 3.8 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198852 | 72424 | 0 | None | 3 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 415 | 5 | 1 | 3 | 3.8 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2005.08.057 | ||
| 155533145 | 171797 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 409 | 4 | 1 | 2 | 6.3 | Cc1cc(-c2ccc(Cl)cc2)sc1C(=O)NCc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4468514 | 171797 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 409 | 4 | 1 | 2 | 6.3 | Cc1cc(-c2ccc(Cl)cc2)sc1C(=O)NCc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2018.11.015 | ||
| 10766998 | 33993 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 476 | 7 | 1 | 4 | 5.5 | COc1ccc(C(C#N)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1Br | 10.1021/jm990316l | ||
| CHEMBL142468 | 33993 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 476 | 7 | 1 | 4 | 5.5 | COc1ccc(C(C#N)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1Br | 10.1021/jm990316l | ||
| 22725647 | 173675 | 0 | None | -52 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4535696 | 173675 | 0 | None | -52 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10164 | 871 | 24 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 451 | 4 | 1 | 8 | 2.2 | COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1[nH]c(=C2N=CC=N2)c2c1nccc2 | 10.1016/j.bmcl.2018.11.015 | ||
| 135565361 | 871 | 24 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 451 | 4 | 1 | 8 | 2.2 | COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1[nH]c(=C2N=CC=N2)c2c1nccc2 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4444976 | 871 | 24 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 451 | 4 | 1 | 8 | 2.2 | COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1[nH]c(=C2N=CC=N2)c2c1nccc2 | 10.1016/j.bmcl.2018.11.015 | ||
| 52917500 | 172244 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 465 | 5 | 1 | 7 | 3.2 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CCC2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4474606 | 172244 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 465 | 5 | 1 | 7 | 3.2 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CCC2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| 59278436 | 172282 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 439 | 6 | 2 | 6 | 2.4 | CNS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4475173 | 172282 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 439 | 6 | 2 | 6 | 2.4 | CNS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 10049340 | 102616 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 448 | 11 | 3 | 5 | 3.3 | CC(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL304358 | 102616 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 448 | 11 | 3 | 5 | 3.3 | CC(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| 512282 | 755 | 59 | None | 141 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| 767 | 755 | 59 | None | 141 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL232656 | 755 | 59 | None | 141 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| 44405181 | 132799 | 0 | None | 51 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 3.6 | CC(=O)Nc1cc(Cl)ccc1NCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL370162 | 132799 | 0 | None | 51 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 3.6 | CC(=O)Nc1cc(Cl)ccc1NCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 49865951 | 16167 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 463 | 4 | 1 | 4 | 5.7 | Cc1nnc([C@H]2CCCN2C(=O)Nc2ccc(C(F)(F)F)cc2)n1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL1224189 | 16167 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 463 | 4 | 1 | 4 | 5.7 | Cc1nnc([C@H]2CCCN2C(=O)Nc2ccc(C(F)(F)F)cc2)n1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| 10072252 | 72589 | 0 | None | 17 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 446 | 5 | 1 | 4 | 4.1 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL199412 | 72589 | 0 | None | 17 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 446 | 5 | 1 | 4 | 4.1 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 10434371 | 72928 | 0 | None | 5 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 459 | 6 | 1 | 4 | 4.2 | COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200629 | 72928 | 0 | None | 5 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 459 | 6 | 1 | 4 | 4.2 | COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| 11719164 | 140244 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 441 | 5 | 1 | 3 | 4.3 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL380568 | 140244 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 441 | 5 | 1 | 3 | 4.3 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| 44453637 | 97961 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL272758 | 97961 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| 6918497 | 113403 | 2 | None | -17 | 4 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL277930 | 113403 | 2 | None | -17 | 4 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL331897 | 113403 | 2 | None | -17 | 4 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| 44453229 | 95370 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 426 | 7 | 2 | 4 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256889 | 95370 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 426 | 7 | 2 | 4 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 58138845 | 176099 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 429 | 4 | 1 | 3 | 5.6 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4591935 | 176099 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 429 | 4 | 1 | 3 | 5.6 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 155562877 | 175202 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 403 | 5 | 1 | 5 | 3.2 | Cc1c(C(=O)NCc2cccc(S(C)(=O)=O)c2)cnn1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4571547 | 175202 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 403 | 5 | 1 | 5 | 3.2 | Cc1c(C(=O)NCc2cccc(S(C)(=O)=O)c2)cnn1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| 25254218 | 16153 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 449 | 4 | 1 | 4 | 5.4 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ncnn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL1224120 | 16153 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 449 | 4 | 1 | 4 | 5.4 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ncnn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| 24782826 | 189562 | 8 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 439 | 4 | 1 | 2 | 5.0 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL514611 | 189562 | 8 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 439 | 4 | 1 | 2 | 5.0 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| 25233755 | 179313 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 457 | 4 | 1 | 2 | 5.2 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1F | 10.1021/jm801416q | ||
| CHEMBL473532 | 179313 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 457 | 4 | 1 | 2 | 5.2 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1F | 10.1021/jm801416q | ||
| 24782826 | 189562 | 8 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 439 | 4 | 1 | 2 | 5.0 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 | 10.1021/jm801416q | ||
| CHEMBL514611 | 189562 | 8 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 439 | 4 | 1 | 2 | 5.0 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 | 10.1021/jm801416q | ||
| 58138826 | 170378 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 413 | 4 | 1 | 3 | 5.1 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4448064 | 170378 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 413 | 4 | 1 | 3 | 5.1 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44309195 | 102121 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 496 | 9 | 3 | 5 | 3.6 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCC(F)(F)CC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL302533 | 102121 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 496 | 9 | 3 | 5 | 3.6 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCC(F)(F)CC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 44453167 | 95707 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.0 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(C(F)(F)F)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258363 | 95707 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.0 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(C(F)(F)F)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453195 | 155152 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 496 | 4 | 1 | 4 | 4.8 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC(C)(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL402327 | 155152 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 496 | 4 | 1 | 4 | 4.8 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC(C)(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453197 | 155389 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 482 | 4 | 1 | 4 | 4.5 | CC1(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN(S(=O)(=O)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL403665 | 155389 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 482 | 4 | 1 | 4 | 4.5 | CC1(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN(S(=O)(=O)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44430748 | 87192 | 0 | None | 72 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 529 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232837 | 87192 | 0 | None | 72 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 529 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453504 | 95498 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 490 | 8 | 2 | 5 | 4.7 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1cccs1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL257452 | 95498 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 490 | 8 | 2 | 5 | 4.7 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1cccs1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10003548 | 71943 | 0 | None | -223 | 2 | Mouse | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL197345 | 71943 | 0 | None | -223 | 2 | Mouse | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 52916803 | 170958 | 18 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | 10.6019/CHEMBL5209897 | ||
| CHEMBL4456123 | 170958 | 18 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | 10.6019/CHEMBL5209897 | ||
| 46858281 | 171384 | 3 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 394 | 4 | 1 | 4 | 4.2 | Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nnn1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4462565 | 171384 | 3 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 394 | 4 | 1 | 4 | 4.2 | Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)nnn1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| 44453433 | 160815 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL411476 | 160815 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44430723 | 86812 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 544 | 8 | 2 | 7 | 3.1 | CNc1c(Nc2cc(Br)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232253 | 86812 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 544 | 8 | 2 | 7 | 3.1 | CNc1c(Nc2cc(Br)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44469380 | 170222 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 413 | 4 | 1 | 3 | 5.1 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccccc1F | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4445779 | 170222 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 413 | 4 | 1 | 3 | 5.1 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccccc1F | 10.1016/j.bmcl.2018.12.024 | ||
| 9889700 | 118562 | 17 | None | 11 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 444 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL34166 | 118562 | 17 | None | 11 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 444 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 44453464 | 95272 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 488 | 4 | 1 | 4 | 3.9 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3cc(F)c(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256449 | 95272 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 488 | 4 | 1 | 4 | 3.9 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3cc(F)c(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 58138911 | 174590 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 463 | 4 | 1 | 3 | 6.3 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4557554 | 174590 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 463 | 4 | 1 | 3 | 6.3 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 76336764 | 106160 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 766 | 12 | 4 | 4 | 12.8 | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||
| CHEMBL3138187 | 106160 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 766 | 12 | 4 | 4 | 12.8 | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||
| CHEMBL3138134 | 211097 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6ccccc6C(=O)O)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccccc6C(=O)O)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||||
| CHEMBL3138376 | 211097 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6ccccc6C(=O)O)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccccc6C(=O)O)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||||
| 44453157 | 155243 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 482 | 4 | 1 | 4 | 4.4 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL402827 | 155243 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 482 | 4 | 1 | 4 | 4.4 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| 155538947 | 172760 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 425 | 4 | 1 | 3 | 5.5 | Cc1c(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2F)cnn1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4513370 | 172760 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 425 | 4 | 1 | 3 | 5.5 | Cc1c(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2F)cnn1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| 44405203 | 72457 | 0 | None | 31 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.5 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)oc12 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198966 | 72457 | 0 | None | 31 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.5 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)oc12 | 10.1016/j.bmcl.2005.08.057 | ||
| 44453161 | 95240 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 482 | 4 | 1 | 4 | 4.5 | CC1CC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1S(=O)(=O)c1ccccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256271 | 95240 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 482 | 4 | 1 | 4 | 4.5 | CC1CC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1S(=O)(=O)c1ccccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 44453435 | 97573 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc(Cl)ccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270863 | 97573 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc(Cl)ccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 44537841 | 672 | 13 | None | 114 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| 57889181 | 672 | 13 | None | 114 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| 9497 | 672 | 13 | None | 114 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL2398716 | 672 | 13 | None | 114 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL3334824 | 672 | 13 | None | 114 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| 45138007 | 170429 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 414 | 4 | 1 | 4 | 4.5 | O=C(NCc1cccc(C(F)(F)F)c1)c1cncc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4448761 | 170429 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 414 | 4 | 1 | 4 | 4.5 | O=C(NCc1cccc(C(F)(F)F)c1)c1cncc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 71462570 | 82537 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | 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 | 82537 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | 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 | ||
| 44453403 | 95107 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1c(Cl)cccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL255629 | 95107 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1c(Cl)cccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 44453202 | 95264 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 422 | 7 | 2 | 4 | 3.3 | Cc1ccccc1S(=O)(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256404 | 95264 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 422 | 7 | 2 | 4 | 3.3 | Cc1ccccc1S(=O)(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 11743399 | 72454 | 12 | None | 32 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 429 | 5 | 1 | 3 | 4.2 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198949 | 72454 | 12 | None | 32 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 429 | 5 | 1 | 3 | 4.2 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 10072252 | 72589 | 0 | None | 17 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 446 | 5 | 1 | 4 | 4.1 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL199412 | 72589 | 0 | None | 17 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 446 | 5 | 1 | 4 | 4.1 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 11554849 | 72823 | 0 | None | 2 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 484 | 7 | 1 | 4 | 3.9 | CN(C)CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200242 | 72823 | 0 | None | 2 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 484 | 7 | 1 | 4 | 3.9 | CN(C)CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| 44405211 | 133568 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 441 | 5 | 1 | 3 | 4.3 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CC2CCC(C1)N2Cc1ccc(F)cc1 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL371248 | 133568 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 441 | 5 | 1 | 3 | 4.3 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CC2CCC(C1)N2Cc1ccc(F)cc1 | 10.1016/j.bmcl.2005.08.057 | ||
| 9980155 | 71787 | 0 | None | -23 | 2 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 430 | 5 | 2 | 3 | 3.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1NC(N)=O | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL196860 | 71787 | 0 | None | -23 | 2 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 430 | 5 | 2 | 3 | 3.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1NC(N)=O | 10.1016/j.bmcl.2005.08.057 | ||
| 10072252 | 72589 | 0 | None | 17 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 446 | 5 | 1 | 4 | 4.1 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL199412 | 72589 | 0 | None | 17 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 446 | 5 | 1 | 4 | 4.1 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 44405202 | 72965 | 0 | None | -17 | 2 | Mouse | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 442 | 4 | 2 | 3 | 4.3 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)[nH]c12 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200794 | 72965 | 0 | None | -17 | 2 | Mouse | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 442 | 4 | 2 | 3 | 4.3 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)[nH]c12 | 10.1016/j.bmcl.2005.08.057 | ||
| 44405181 | 132799 | 0 | None | -51 | 2 | Mouse | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 3.6 | CC(=O)Nc1cc(Cl)ccc1NCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL370162 | 132799 | 0 | None | -51 | 2 | Mouse | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 3.6 | CC(=O)Nc1cc(Cl)ccc1NCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 9804868 | 33808 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 472 | 5 | 1 | 4 | 6.0 | N#CC1(CCCN2CCC(O)(c3ccc(F)cc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL142318 | 33808 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 472 | 5 | 1 | 4 | 6.0 | N#CC1(CCCN2CCC(O)(c3ccc(F)cc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| 44309122 | 102793 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 482 | 11 | 4 | 6 | 3.4 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NO | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL305423 | 102793 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 482 | 11 | 4 | 6 | 3.4 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NO | 10.1016/j.bmcl.2004.02.022 | ||
| 1370410 | 86873 | 11 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 404 | 3 | 0 | 4 | 3.4 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322888 | 86873 | 11 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 404 | 3 | 0 | 4 | 3.4 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| 11743399 | 72454 | 12 | None | 32 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 429 | 5 | 1 | 3 | 4.2 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198949 | 72454 | 12 | None | 32 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 429 | 5 | 1 | 3 | 4.2 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 10811393 | 34856 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 407 | 7 | 1 | 4 | 4.8 | N#CCC(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL143194 | 34856 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 407 | 7 | 1 | 4 | 4.8 | N#CCC(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| 44453227 | 95368 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 548 | 4 | 1 | 4 | 4.5 | O=S(=O)(c1c(F)cc(F)cc1Br)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256887 | 95368 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 548 | 4 | 1 | 4 | 4.5 | O=S(=O)(c1c(F)cc(F)cc1Br)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10649043 | 34524 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 499 | 5 | 1 | 4 | 5.5 | CN1C(=O)c2ccccc2C(C#N)(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL142925 | 34524 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 499 | 5 | 1 | 4 | 5.5 | CN1C(=O)c2ccccc2C(C#N)(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc21 | 10.1021/jm990316l | ||
| 45138010 | 170835 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 425 | 5 | 1 | 7 | 2.3 | CS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4454067 | 170835 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 425 | 5 | 1 | 7 | 2.3 | CS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cn1 | 10.1016/j.bmcl.2018.12.024 | ||
| 25233754 | 179312 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 473 | 4 | 1 | 2 | 5.7 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1Cl | 10.1021/jm801416q | ||
| CHEMBL473531 | 179312 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 473 | 4 | 1 | 2 | 5.7 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1Cl | 10.1021/jm801416q | ||
| 44453469 | 95704 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258360 | 95704 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 155526212 | 171013 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 406 | 4 | 1 | 2 | 5.7 | Cc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4456839 | 171013 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 406 | 4 | 1 | 2 | 5.7 | Cc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| 44453437 | 160816 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL411477 | 160816 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 44405180 | 140608 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 431 | 6 | 1 | 3 | 4.1 | CC(=O)Nc1cc(Cl)ccc1CCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL381446 | 140608 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 431 | 6 | 1 | 3 | 4.1 | CC(=O)Nc1cc(Cl)ccc1CCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 44453165 | 95706 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 492 | 8 | 2 | 5 | 3.9 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258362 | 95706 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 492 | 8 | 2 | 5 | 3.9 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453263 | 155617 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 442 | 7 | 2 | 4 | 3.6 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL404732 | 155617 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 442 | 7 | 2 | 4 | 3.6 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44430755 | 153401 | 0 | None | 42 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2cccnc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL397910 | 153401 | 0 | None | 42 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2cccnc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453528 | 97512 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 414 | 7 | 2 | 5 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccsc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270564 | 97512 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 414 | 7 | 2 | 5 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccsc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44430753 | 141998 | 0 | None | 77 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 598 | 11 | 3 | 9 | 2.2 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL387608 | 141998 | 0 | None | 77 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 598 | 11 | 3 | 9 | 2.2 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 25252974 | 16166 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 449 | 4 | 1 | 4 | 5.4 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nncn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL1224188 | 16166 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 449 | 4 | 1 | 4 | 5.4 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nncn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| 17753030 | 86982 | 0 | None | 39 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 486 | 7 | 2 | 7 | 2.5 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232441 | 86982 | 0 | None | 39 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 486 | 7 | 2 | 7 | 2.5 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 10434371 | 72928 | 0 | None | 5 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 459 | 6 | 1 | 4 | 4.2 | COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200629 | 72928 | 0 | None | 5 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 459 | 6 | 1 | 4 | 4.2 | COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| 44405176 | 135380 | 0 | None | -1 | 2 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 471 | 6 | 1 | 4 | 4.3 | COc1cc(/C=C/C(=O)N2C3CCC2CN(Cc2ccc(F)cc2)C3)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL372807 | 135380 | 0 | None | -1 | 2 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 471 | 6 | 1 | 4 | 4.3 | COc1cc(/C=C/C(=O)N2C3CCC2CN(Cc2ccc(F)cc2)C3)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| 58138789 | 172287 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 438 | 6 | 2 | 5 | 3.0 | CNS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4475237 | 172287 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 438 | 6 | 2 | 5 | 3.0 | CNS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 21070989 | 86860 | 0 | None | 354 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86860 | 0 | None | 354 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44453291 | 97394 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 442 | 7 | 2 | 4 | 3.6 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL269957 | 97394 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 442 | 7 | 2 | 4 | 3.6 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 44453361 | 167299 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 456 | 7 | 2 | 4 | 4.0 | Cc1cccc(Cl)c1S(=O)(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL429419 | 167299 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 456 | 7 | 2 | 4 | 4.0 | Cc1cccc(Cl)c1S(=O)(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 512282 | 755 | 59 | None | 141 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| 767 | 755 | 59 | None | 141 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL232656 | 755 | 59 | None | 141 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| 11554849 | 72823 | 0 | None | -2 | 2 | Mouse | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 484 | 7 | 1 | 4 | 3.9 | CN(C)CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200242 | 72823 | 0 | None | -2 | 2 | Mouse | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 484 | 7 | 1 | 4 | 3.9 | CN(C)CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| 9980155 | 71787 | 0 | None | 23 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 430 | 5 | 2 | 3 | 3.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1NC(N)=O | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL196860 | 71787 | 0 | None | 23 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 430 | 5 | 2 | 3 | 3.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1NC(N)=O | 10.1016/j.bmcl.2005.08.057 | ||
| 9845614 | 121256 | 26 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 430 | 6 | 1 | 3 | 5.5 | N#CC(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL357919 | 121256 | 26 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 430 | 6 | 1 | 3 | 5.5 | N#CC(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL3138115 | 211099 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | None | None | None | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6cccc(B(O)O)c6)c(C(=O)O)c5)c5cc(Cl)c(OCc6cccc(B(O)O)c6)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||||
| CHEMBL3138540 | 211099 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | None | None | None | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6cccc(B(O)O)c6)c(C(=O)O)c5)c5cc(Cl)c(OCc6cccc(B(O)O)c6)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||||
| 59278474 | 172108 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 451 | 6 | 1 | 7 | 2.8 | O=C(NCc1ccnc(S(=O)(=O)C2CC2)c1)c1cncc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4472994 | 172108 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 451 | 6 | 1 | 7 | 2.8 | O=C(NCc1ccnc(S(=O)(=O)C2CC2)c1)c1cncc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 11554849 | 72823 | 0 | None | 2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 484 | 7 | 1 | 4 | 3.9 | CN(C)CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200242 | 72823 | 0 | None | 2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 484 | 7 | 1 | 4 | 3.9 | CN(C)CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| 44453321 | 97462 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 502 | 4 | 1 | 4 | 4.8 | O=S(=O)(c1c(Cl)cccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270254 | 97462 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 502 | 4 | 1 | 4 | 4.8 | O=S(=O)(c1c(Cl)cccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 155561040 | 175349 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 418 | 6 | 2 | 5 | 2.7 | CNS(=O)(=O)c1ccc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4574870 | 175349 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 418 | 6 | 2 | 5 | 2.7 | CNS(=O)(=O)c1ccc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| 44453290 | 97393 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 482 | 4 | 1 | 4 | 4.4 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL269956 | 97393 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 482 | 4 | 1 | 4 | 4.4 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 59278286 | 171531 | 1 | None | -112 | 2 | Mouse | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 453 | 6 | 1 | 7 | 3.2 | CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4464625 | 171531 | 1 | None | -112 | 2 | Mouse | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 453 | 6 | 1 | 7 | 3.2 | CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44469942 | 174922 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 452 | 6 | 1 | 5 | 3.3 | CN(C)S(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4565496 | 174922 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 452 | 6 | 1 | 5 | 3.3 | CN(C)S(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 25233582 | 190078 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 401 | 5 | 1 | 3 | 4.0 | COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1 | 10.1021/jm801416q | ||
| CHEMBL517290 | 190078 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 401 | 5 | 1 | 3 | 4.0 | COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1 | 10.1021/jm801416q | ||
| 44309245 | 203421 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 556 | 13 | 3 | 5 | 5.2 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL65784 | 203421 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 556 | 13 | 3 | 5 | 5.2 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2004.02.022 | ||
| 10001921 | 72424 | 0 | None | -3 | 2 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 415 | 5 | 1 | 3 | 3.8 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198852 | 72424 | 0 | None | -3 | 2 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 415 | 5 | 1 | 3 | 3.8 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2005.08.057 | ||
| 9980155 | 71787 | 0 | None | 23 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 430 | 5 | 2 | 3 | 3.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1NC(N)=O | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL196860 | 71787 | 0 | None | 23 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 430 | 5 | 2 | 3 | 3.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1NC(N)=O | 10.1016/j.bmcl.2005.08.057 | ||
| 45138012 | 170185 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 414 | 4 | 1 | 4 | 4.5 | O=C(NCc1cccc(C(F)(F)F)c1)c1nccc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4445316 | 170185 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 414 | 4 | 1 | 4 | 4.5 | O=C(NCc1cccc(C(F)(F)F)c1)c1nccc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 58138781 | 175078 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 379 | 4 | 1 | 3 | 4.7 | O=C(NCc1cccc(Cl)c1)c1cccc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4568987 | 175078 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 379 | 4 | 1 | 3 | 4.7 | O=C(NCc1cccc(Cl)c1)c1cccc2c1cnn2-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44453198 | 95588 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 516 | 4 | 1 | 4 | 5.2 | CC1(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL257853 | 95588 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 516 | 4 | 1 | 4 | 5.2 | CC1(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44430746 | 87088 | 0 | None | 41 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 530 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCO)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232638 | 87088 | 0 | None | 41 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 530 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCO)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44480348 | 175754 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 446 | 7 | 1 | 6 | 3.9 | CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1ccc(S(C)(=O)=O)nc1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4583870 | 175754 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 446 | 7 | 1 | 6 | 3.9 | CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1ccc(S(C)(=O)=O)nc1 | 10.1016/j.bmcl.2018.11.015 | ||
| 44453639 | 158840 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 482 | 4 | 1 | 4 | 4.4 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL409498 | 158840 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 482 | 4 | 1 | 4 | 4.4 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44405203 | 72457 | 0 | None | -31 | 2 | Mouse | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.5 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)oc12 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198966 | 72457 | 0 | None | -31 | 2 | Mouse | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 443 | 4 | 1 | 4 | 4.5 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)oc12 | 10.1016/j.bmcl.2005.08.057 | ||
| 10503785 | 121093 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 451 | 7 | 1 | 4 | 5.3 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)N1CCCCC1 | 10.1021/jm990316l | ||
| CHEMBL357434 | 121093 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 451 | 7 | 1 | 4 | 5.3 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)N1CCCCC1 | 10.1021/jm990316l | ||
| 59687824 | 82540 | 1 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1NC1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1021/jm300682j | ||
| CHEMBL2178572 | 82540 | 1 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1NC1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1021/jm300682j | ||
| 44430753 | 141998 | 0 | None | 77 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 598 | 11 | 3 | 9 | 2.2 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL387608 | 141998 | 0 | None | 77 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 598 | 11 | 3 | 9 | 2.2 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44470083 | 171554 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 466 | 7 | 2 | 5 | 3.8 | CC(C)NS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4465000 | 171554 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 466 | 7 | 2 | 5 | 3.8 | CC(C)NS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44309312 | 203755 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 460 | 9 | 3 | 5 | 3.4 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL68145 | 203755 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 460 | 9 | 3 | 5 | 3.4 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 21070989 | 86860 | 0 | None | 354 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86860 | 0 | None | 354 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44453200 | 95639 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.0 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1C(F)(F)F | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258065 | 95639 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 476 | 7 | 2 | 4 | 4.0 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1C(F)(F)F | 10.1016/j.bmcl.2007.09.068 | ||
| 44405181 | 132799 | 0 | None | 51 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 3.6 | CC(=O)Nc1cc(Cl)ccc1NCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL370162 | 132799 | 0 | None | 51 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 3.6 | CC(=O)Nc1cc(Cl)ccc1NCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 10434371 | 72928 | 0 | None | -5 | 2 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 459 | 6 | 1 | 4 | 4.2 | COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200629 | 72928 | 0 | None | -5 | 2 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 459 | 6 | 1 | 4 | 4.2 | COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| 44405212 | 72939 | 0 | None | -1 | 2 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 458 | 5 | 1 | 4 | 4.2 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200680 | 72939 | 0 | None | -1 | 2 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 458 | 5 | 1 | 4 | 4.2 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| 155549724 | 173837 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 427 | 4 | 1 | 3 | 5.4 | Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4539264 | 173837 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 427 | 4 | 1 | 3 | 5.4 | Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2018.11.015 | ||
| 10388824 | 133413 | 0 | None | -4 | 2 | Mouse | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 445 | 5 | 1 | 3 | 4.7 | CC(=O)Nc1cc2ccccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL370596 | 133413 | 0 | None | -4 | 2 | Mouse | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 445 | 5 | 1 | 3 | 4.7 | CC(=O)Nc1cc2ccccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 9870185 | 84067 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 489 | 7 | 3 | 5 | 3.5 | O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2ccccc12 | 10.1016/j.bmcl.2012.09.113 | ||
| CHEMBL2207666 | 84067 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 489 | 7 | 3 | 5 | 3.5 | O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2ccccc12 | 10.1016/j.bmcl.2012.09.113 | ||
| 162658125 | 181072 | 0 | None | -125 | 3 | Human | 5.3 | pIC50 | = | 5.3 | 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 | 181072 | 0 | None | -125 | 3 | Human | 5.3 | pIC50 | = | 5.3 | 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 | 182250 | 1 | None | -707 | 3 | Human | 5.3 | pIC50 | = | 5.3 | 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 | 182250 | 1 | None | -707 | 3 | Human | 5.3 | pIC50 | = | 5.3 | 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 | ||
| 44453436 | 97619 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 458 | 7 | 2 | 4 | 4.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL271079 | 97619 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 458 | 7 | 2 | 4 | 4.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453293 | 167380 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 486 | 7 | 2 | 4 | 3.8 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Br | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL429591 | 167380 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 486 | 7 | 2 | 4 | 3.8 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Br | 10.1016/j.bmcl.2007.09.068 | ||
| 9869274 | 119287 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 468 | 5 | 1 | 3 | 6.4 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2C=Cc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL344073 | 119287 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 468 | 5 | 1 | 3 | 6.4 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2C=Cc2ccccc21 | 10.1021/jm990316l | ||
| 44430745 | 142026 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 544 | 11 | 2 | 8 | 3.0 | COCCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL387822 | 142026 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 544 | 11 | 2 | 8 | 3.0 | COCCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 10111333 | 175443 | 0 | None | -19 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4577133 | 175443 | 0 | None | -19 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 58138841 | 169612 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 438 | 6 | 2 | 5 | 3.0 | CNS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4437170 | 169612 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 438 | 6 | 2 | 5 | 3.0 | CNS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 512282 | 755 | 59 | None | 141 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| 767 | 755 | 59 | None | 141 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL232656 | 755 | 59 | None | 141 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2005.08.057 | ||
| 44405202 | 72965 | 0 | None | 17 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 442 | 4 | 2 | 3 | 4.3 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)[nH]c12 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200794 | 72965 | 0 | None | 17 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 442 | 4 | 2 | 3 | 4.3 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)[nH]c12 | 10.1016/j.bmcl.2005.08.057 | ||
| 10576419 | 34168 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 472 | 9 | 1 | 3 | 6.7 | N#CC(CCCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL142620 | 34168 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 472 | 9 | 1 | 3 | 6.7 | N#CC(CCCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL3138380 | 211098 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | None | None | None | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6cccc([N+](=O)[O-])c6)c(C(=O)O)c5)c5cc(Cl)c(OCc6cccc([N+](=O)[O-])c6)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||||
| CHEMBL3138437 | 211098 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | None | None | None | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6cccc([N+](=O)[O-])c6)c(C(=O)O)c5)c5cc(Cl)c(OCc6cccc([N+](=O)[O-])c6)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||||
| 10001921 | 72424 | 0 | None | 3 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 415 | 5 | 1 | 3 | 3.8 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198852 | 72424 | 0 | None | 3 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 415 | 5 | 1 | 3 | 3.8 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2005.08.057 | ||
| 11743399 | 72454 | 12 | None | -32 | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 429 | 5 | 1 | 3 | 4.2 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198949 | 72454 | 12 | None | -32 | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 429 | 5 | 1 | 3 | 4.2 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 10572669 | 119415 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 393 | 6 | 1 | 4 | 4.6 | N#Cc1ccccc1C(C#N)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL344989 | 119415 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 393 | 6 | 1 | 4 | 4.6 | N#Cc1ccccc1C(C#N)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| 3497 | 1172 | 25 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | 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 | 10.1016/j.bmcl.2018.11.015 | ||
| 5311123 | 1172 | 25 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | 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 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL1628706 | 1172 | 25 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | 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 | 10.1016/j.bmcl.2018.11.015 | ||
| 44453499 | 155379 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 486 | 4 | 1 | 4 | 4.3 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(F)c(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL403613 | 155379 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 486 | 4 | 1 | 4 | 4.3 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(F)c(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10111333 | 175443 | 0 | None | -19 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4577133 | 175443 | 0 | None | -19 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 44430748 | 87192 | 0 | None | 72 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 529 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232837 | 87192 | 0 | None | 72 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 529 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44430758 | 142785 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 482 | 6 | 2 | 6 | 3.1 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL389293 | 142785 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 482 | 6 | 2 | 6 | 3.1 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 25233756 | 180858 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 467 | 4 | 1 | 2 | 5.6 | Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| CHEMBL475748 | 180858 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 467 | 4 | 1 | 2 | 5.6 | Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| 58138880 | 172328 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 452 | 6 | 1 | 5 | 3.3 | CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4475918 | 172328 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 452 | 6 | 1 | 5 | 3.3 | CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44405212 | 72939 | 0 | None | 1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 458 | 5 | 1 | 4 | 4.2 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200680 | 72939 | 0 | None | 1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 458 | 5 | 1 | 4 | 4.2 | CC(=O)Nc1cc2ncccc2cc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| 25253284 | 16152 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 450 | 4 | 1 | 5 | 4.8 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nnnn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL1224119 | 16152 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 450 | 4 | 1 | 5 | 4.8 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nnnn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| 59278314 | 169894 | 22 | None | 54 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 425 | 5 | 1 | 7 | 2.3 | CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4441094 | 169894 | 22 | None | 54 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 425 | 5 | 1 | 7 | 2.3 | CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| 11211557 | 169830 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 393 | 4 | 1 | 3 | 4.8 | Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4440166 | 169830 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 393 | 4 | 1 | 3 | 4.8 | Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| 10456104 | 71953 | 0 | None | -56 | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL197375 | 71953 | 0 | None | -56 | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 59278235 | 173061 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 425 | 5 | 1 | 7 | 2.3 | CS(=O)(=O)c1cncc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4519965 | 173061 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 425 | 5 | 1 | 7 | 2.3 | CS(=O)(=O)c1cncc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44468708 | 174667 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | CS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4559388 | 174667 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | CS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44453466 | 155625 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 486 | 4 | 1 | 4 | 4.3 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL404757 | 155625 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 486 | 4 | 1 | 4 | 4.3 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453502 | 155119 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL402110 | 155119 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309353 | 103377 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | CC(C)(O)CCC(C[C@H](O)[C@H](Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL308473 | 103377 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | CC(C)(O)CCC(C[C@H](O)[C@H](Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| 44453226 | 95710 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 536 | 4 | 1 | 4 | 5.4 | O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258369 | 95710 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 536 | 4 | 1 | 4 | 5.4 | O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 59278314 | 169894 | 22 | None | -54 | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 425 | 5 | 1 | 7 | 2.3 | CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4441094 | 169894 | 22 | None | -54 | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 425 | 5 | 1 | 7 | 2.3 | CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44468570 | 171845 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | CS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4469176 | 171845 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | CS(=O)(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44309219 | 102085 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 512 | 9 | 4 | 6 | 2.8 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1(O)CCC(F)(F)CC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL302320 | 102085 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 512 | 9 | 4 | 6 | 2.8 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1(O)CCC(F)(F)CC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 44309313 | 102500 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | CC(C)(O)CCC(C[C@H](O)[C@H](Cc1ccccc1F)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL304053 | 102500 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | CC(C)(O)CCC(C[C@H](O)[C@H](Cc1ccccc1F)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| 10434371 | 72928 | 0 | None | 5 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 459 | 6 | 1 | 4 | 4.2 | COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200629 | 72928 | 0 | None | 5 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 459 | 6 | 1 | 4 | 4.2 | COc1cc(/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| 17753030 | 86982 | 0 | None | 39 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 486 | 7 | 2 | 7 | 2.5 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232441 | 86982 | 0 | None | 39 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 486 | 7 | 2 | 7 | 2.5 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44405176 | 135380 | 0 | None | 1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 471 | 6 | 1 | 4 | 4.3 | COc1cc(/C=C/C(=O)N2C3CCC2CN(Cc2ccc(F)cc2)C3)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL372807 | 135380 | 0 | None | 1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 471 | 6 | 1 | 4 | 4.3 | COc1cc(/C=C/C(=O)N2C3CCC2CN(Cc2ccc(F)cc2)C3)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| 44405176 | 135380 | 0 | None | 1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 471 | 6 | 1 | 4 | 4.3 | COc1cc(/C=C/C(=O)N2C3CCC2CN(Cc2ccc(F)cc2)C3)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL372807 | 135380 | 0 | None | 1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 471 | 6 | 1 | 4 | 4.3 | COc1cc(/C=C/C(=O)N2C3CCC2CN(Cc2ccc(F)cc2)C3)c(NC(C)=O)cc1Cl | 10.1016/j.bmcl.2005.08.057 | ||
| 44453529 | 97812 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 414 | 7 | 2 | 5 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccs1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL272097 | 97812 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 414 | 7 | 2 | 5 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccs1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10076510 | 11607 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 433 | 6 | 1 | 2 | 6.0 | C[N+]1(CCCC(C#N)c2ccc3ccccc3c2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL1180795 | 11607 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 433 | 6 | 1 | 2 | 6.0 | C[N+]1(CCCC(C#N)c2ccc3ccccc3c2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL143374 | 11607 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 433 | 6 | 1 | 2 | 6.0 | C[N+]1(CCCC(C#N)c2ccc3ccccc3c2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| 5311125 | 35142 | 1 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 488 | 5 | 1 | 4 | 6.5 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL143492 | 35142 | 1 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 488 | 5 | 1 | 4 | 6.5 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| 10717972 | 119325 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 440 | 8 | 1 | 5 | 4.4 | CCOC(=O)C(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL344324 | 119325 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 440 | 8 | 1 | 5 | 4.4 | CCOC(=O)C(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| 44309077 | 204305 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 549 | 11 | 2 | 6 | 3.6 | CN1CCN(C(=O)C(CCC(C)(C)F)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cnc3ccccc3n2)CC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL71499 | 204305 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 549 | 11 | 2 | 6 | 3.6 | CN1CCN(C(=O)C(CCC(C)(C)F)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cnc3ccccc3n2)CC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 10695080 | 12170 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 418 | 6 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1021/jm990316l | ||
| CHEMBL1184276 | 12170 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 418 | 6 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1021/jm990316l | ||
| CHEMBL342444 | 12170 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 418 | 6 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1021/jm990316l | ||
| 44453163 | 155395 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 454 | 4 | 1 | 5 | 3.9 | CC1(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN(S(=O)(=O)c2cccs2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL403692 | 155395 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 454 | 4 | 1 | 5 | 3.9 | CC1(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN(S(=O)(=O)c2cccs2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309124 | 203838 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 520 | 11 | 2 | 5 | 4.5 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)N1CCCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL68692 | 203838 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 520 | 11 | 2 | 5 | 4.5 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)N1CCCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 58138788 | 171132 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 395 | 4 | 1 | 3 | 5.0 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccccc1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4458721 | 171132 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 395 | 4 | 1 | 3 | 5.0 | O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccccc1 | 10.1016/j.bmcl.2018.12.024 | ||
| 9956488 | 119212 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 472 | 5 | 1 | 4 | 5.8 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2COc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL343511 | 119212 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 472 | 5 | 1 | 4 | 5.8 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2COc2ccccc21 | 10.1021/jm990316l | ||
| 9956380 | 168225 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 470 | 5 | 1 | 3 | 6.0 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2CCc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL433746 | 168225 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 470 | 5 | 1 | 3 | 6.0 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2CCc2ccccc21 | 10.1021/jm990316l | ||
| 24758044 | 82834 | 0 | None | 14 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180528 | 82834 | 0 | None | 14 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 37664972 | 170474 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 377 | 4 | 1 | 3 | 4.3 | Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4449368 | 170474 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 377 | 4 | 1 | 3 | 4.3 | Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(F)cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| 44453317 | 97417 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 480 | 5 | 1 | 5 | 4.2 | CSc1ccc(C2(O)CCN(C3CCN(S(=O)(=O)c4ccccc4Cl)CC3)CC2)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270033 | 97417 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 480 | 5 | 1 | 5 | 4.2 | CSc1ccc(C2(O)CCN(C3CCN(S(=O)(=O)c4ccccc4Cl)CC3)CC2)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44430755 | 153401 | 0 | None | 42 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2cccnc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL397910 | 153401 | 0 | None | 42 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2cccnc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 59278123 | 172323 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 424 | 5 | 1 | 6 | 2.9 | CS(=O)(=O)c1cccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4475801 | 172323 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 424 | 5 | 1 | 6 | 2.9 | CS(=O)(=O)c1cccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 44309286 | 102307 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 512 | 9 | 4 | 6 | 3.7 | O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CC(C(=O)NO)C1CCC(F)(F)CC1)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL303673 | 102307 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 512 | 9 | 4 | 6 | 3.7 | O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CC(C(=O)NO)C1CCC(F)(F)CC1)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.022 | ||
| 44453228 | 95369 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 426 | 7 | 2 | 4 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1F | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256888 | 95369 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 426 | 7 | 2 | 4 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1F | 10.1016/j.bmcl.2007.09.068 | ||
| 10388824 | 133413 | 0 | None | 4 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 445 | 5 | 1 | 3 | 4.7 | CC(=O)Nc1cc2ccccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL370596 | 133413 | 0 | None | 4 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 445 | 5 | 1 | 3 | 4.7 | CC(=O)Nc1cc2ccccc2cc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 44405196 | 140545 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 460 | 5 | 2 | 4 | 3.8 | COc1cc2c(cc1Cl)NC(=O)NC2CC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL381223 | 140545 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 460 | 5 | 2 | 4 | 3.8 | COc1cc2c(cc1Cl)NC(=O)NC2CC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 44453641 | 97908 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 438 | 8 | 2 | 5 | 3.0 | COc1ccc(S(=O)(=O)NCCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL272559 | 97908 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 438 | 8 | 2 | 5 | 3.0 | COc1ccc(S(=O)(=O)NCCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10789482 | 33655 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 444 | 9 | 1 | 3 | 5.9 | N#CC(CCCCl)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL142191 | 33655 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 444 | 9 | 1 | 3 | 5.9 | N#CC(CCCCl)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| 44453584 | 97895 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 484 | 8 | 2 | 4 | 4.7 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL272523 | 97895 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 484 | 8 | 2 | 4 | 4.7 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44308819 | 203875 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 4.5 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL68937 | 203875 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 4.5 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.022 | ||
| 10547456 | 119560 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 374 | 6 | 1 | 4 | 4.8 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccs1 | 10.1021/jm990316l | ||
| CHEMBL346205 | 119560 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 374 | 6 | 1 | 4 | 4.8 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccs1 | 10.1021/jm990316l | ||
| 24758044 | 82834 | 0 | None | 14 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180528 | 82834 | 0 | None | 14 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 155514261 | 169812 | 0 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4439854 | 169812 | 0 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155514261 | 169812 | 0 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4439854 | 169812 | 0 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10526132 | 72448 | 0 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 419 | 7 | 1 | 2 | 6.2 | OC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL142004 | 72448 | 0 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 419 | 7 | 1 | 2 | 6.2 | OC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL198935 | 72448 | 0 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 419 | 7 | 1 | 2 | 6.2 | OC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm990316l | ||
| 11554849 | 72823 | 0 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 484 | 7 | 1 | 4 | 3.9 | CN(C)CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200242 | 72823 | 0 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 484 | 7 | 1 | 4 | 3.9 | CN(C)CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2 | 10.1016/j.bmcl.2005.08.057 | ||
| 10456104 | 71953 | 0 | None | 56 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL197375 | 71953 | 0 | None | 56 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 443 | 5 | 1 | 3 | 4.6 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 3536 | 3875 | 0 | None | 9 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 515 | 5 | 1 | 2 | 7.3 | CC[N+]1(CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2c1cc(Cl)cc2)CC1CCCCCC1 | 10.1021/jm300682j | ||
| 44560289 | 3875 | 0 | None | 9 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 515 | 5 | 1 | 2 | 7.3 | CC[N+]1(CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2c1cc(Cl)cc2)CC1CCCCCC1 | 10.1021/jm300682j | ||
| CHEMBL1186993 | 3875 | 0 | None | 9 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 515 | 5 | 1 | 2 | 7.3 | CC[N+]1(CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2c1cc(Cl)cc2)CC1CCCCCC1 | 10.1021/jm300682j | ||
| 44405202 | 72965 | 0 | None | 17 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 442 | 4 | 2 | 3 | 4.3 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)[nH]c12 | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL200794 | 72965 | 0 | None | 17 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 442 | 4 | 2 | 3 | 4.3 | CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)[nH]c12 | 10.1016/j.bmcl.2005.08.057 | ||
| 11743399 | 72454 | 12 | None | 32 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 429 | 5 | 1 | 3 | 4.2 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| CHEMBL198949 | 72454 | 12 | None | 32 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 429 | 5 | 1 | 3 | 4.2 | CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2005.08.057 | ||
| 44453359 | 97532 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 408 | 7 | 2 | 4 | 3.0 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270631 | 97532 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 408 | 7 | 2 | 4 | 3.0 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 25022507 | 155401 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Br)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL403728 | 155401 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Br)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10833944 | 118730 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 384 | 6 | 2 | 4 | 4.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(O)c1 | 10.1021/jm990316l | ||
| CHEMBL341840 | 118730 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 384 | 6 | 2 | 4 | 4.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(O)c1 | 10.1021/jm990316l | ||
| CHEMBL3138118 | 211095 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | None | None | None | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6ccc(-c7cccc(C(=O)O)c7)cc6)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccc(-c7cccc(C(=O)O)c7)cc6)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||||
| CHEMBL3138133 | 211095 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | None | None | None | CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CCC=C(c5cc(Cl)c(OCc6ccc(-c7cccc(C(=O)O)c7)cc6)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccc(-c7cccc(C(=O)O)c7)cc6)c(C(=O)O)c5)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1016/s0960-894x(00)00601-6 | ||||
| 155521447 | 170560 | 0 | None | -3 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4450561 | 170560 | 0 | None | -3 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155521447 | 170560 | 0 | None | -3 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4450561 | 170560 | 0 | None | -3 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155549273 | 173811 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 404 | 5 | 1 | 5 | 4.0 | Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc([N+](=O)[O-])cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4538794 | 173811 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 404 | 5 | 1 | 5 | 4.0 | Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc([N+](=O)[O-])cc1 | 10.1016/j.bmcl.2018.11.015 | ||
| 10690854 | 32718 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 374 | 6 | 1 | 4 | 4.8 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccsc1 | 10.1021/jm990316l | ||
| CHEMBL141387 | 32718 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 374 | 6 | 1 | 4 | 4.8 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccsc1 | 10.1021/jm990316l | ||
| 49798289 | 10618 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1170391 | 10618 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798265 | 10696 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171006 | 10696 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 10300214 | 84170 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 492 | 9 | 2 | 5 | 5.0 | O=C(Nc1ccccc1OCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)C1CCC1 | 10.1016/j.bmcl.2012.09.113 | ||
| CHEMBL2208416 | 84170 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 492 | 9 | 2 | 5 | 5.0 | O=C(Nc1ccccc1OCC(O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)C1CCC1 | 10.1016/j.bmcl.2012.09.113 | ||
| 49798264 | 10755 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171758 | 10755 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 19430534 | 10740 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.7 | O=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171586 | 10740 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.7 | O=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 15664 | 83759 | 101 | None | -3 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 184 | 1 | 0 | 2 | 2.8 | Cc1ccc(-c2ccc(C)cn2)nc1 | None | ||
| CHEMBL2205807 | 83759 | 101 | None | -3 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 184 | 1 | 0 | 2 | 2.8 | Cc1ccc(-c2ccc(C)cn2)nc1 | None | ||
| 3536 | 3875 | 0 | None | 9 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Guide to Pharmacology | 515 | 5 | 1 | 2 | 7.3 | CC[N+]1(CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2c1cc(Cl)cc2)CC1CCCCCC1 | 10854442 | ||
| 44560289 | 3875 | 0 | None | 9 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Guide to Pharmacology | 515 | 5 | 1 | 2 | 7.3 | CC[N+]1(CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2c1cc(Cl)cc2)CC1CCCCCC1 | 10854442 | ||
| CHEMBL1186993 | 3875 | 0 | None | 9 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Guide to Pharmacology | 515 | 5 | 1 | 2 | 7.3 | CC[N+]1(CCC(CC1)NC(=O)C1c2cc(Cl)ccc2Oc2c1cc(Cl)cc2)CC1CCCCCC1 | 10854442 | ||
| 4382 | 830 | 0 | None | -25 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | Guide to Pharmacology | None | None | None | None | 23951310 | ||||
| 754 | 827 | 0 | None | -5 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | Guide to Pharmacology | None | None | None | None | 9346309 | ||||
| 126523866 | 1051 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | 584 | 6 | 2 | 5 | 6.0 | NC[C@@H]1CCCN(C1)C(=O)c1ccc2c(c1)C(C(=O)NC1CCN(CC1)CC1=CCCCCCCC1)c1c(O2)cccc1 | 12614873 | ||
| 3696 | 1051 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | 584 | 6 | 2 | 5 | 6.0 | NC[C@@H]1CCCN(C1)C(=O)c1ccc2c(c1)C(C(=O)NC1CCN(CC1)CC1=CCCCCCCC1)c1c(O2)cccc1 | 12614873 | ||
| 73755059 | 1051 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | 584 | 6 | 2 | 5 | 6.0 | NC[C@@H]1CCCN(C1)C(=O)c1ccc2c(c1)C(C(=O)NC1CCN(CC1)CC1=CCCCCCCC1)c1c(O2)cccc1 | 12614873 | ||
| 10750 | 2562 | 0 | None | 5011 | 2 | Human | 9.1 | pIC50 | = | 9.1 | 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 | None | ||
| 18437138 | 2562 | 0 | None | 5011 | 2 | Human | 9.1 | pIC50 | = | 9.1 | 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 | None | ||
| 486830 | 3971 | 0 | None | -10 | 5 | Human | 8.1 | pIC50 | None | 8.1 | Functional | Guide to Pharmacology | None | None | None | None | 9287217 | ||||
| 768 | 3971 | 0 | None | -10 | 5 | Human | 8.1 | pIC50 | None | 8.1 | Functional | Guide to Pharmacology | None | None | None | None | 9287217 | ||||
| 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 |
| 72548703 | 161543 | 0 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | ||
| CHEMBL4128926 | 161543 | 0 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | ||
| 25109291 | 191362 | 10 | None | 56 | 8 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.1021/jm8007618 | ||
| CHEMBL519240 | 191362 | 10 | None | 56 | 8 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.1021/jm8007618 | ||
| 59278286 | 171531 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 453 | 6 | 1 | 7 | 3.2 | CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4464625 | 171531 | 1 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 453 | 6 | 1 | 7 | 3.2 | CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 11744314 | 87325 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 446 | 6 | 3 | 6 | 3.2 | CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2332935 | 87325 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 446 | 6 | 3 | 6 | 3.2 | CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| 68959963 | 87323 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 432 | 6 | 2 | 5 | 3.1 | CC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332933 | 87323 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 432 | 6 | 2 | 5 | 3.1 | CC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| 11744314 | 87325 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 446 | 6 | 3 | 6 | 3.2 | CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332935 | 87325 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 446 | 6 | 3 | 6 | 3.2 | CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| 10094212 | 87326 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 430 | 6 | 3 | 6 | 2.7 | CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2332936 | 87326 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 430 | 6 | 3 | 6 | 2.7 | CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| 10094212 | 87326 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 430 | 6 | 3 | 6 | 2.7 | CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332936 | 87326 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 430 | 6 | 3 | 6 | 2.7 | CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| 72945512 | 104299 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 471 | 7 | 4 | 6 | 3.0 | O=C(Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2)NC1CC1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099947 | 104299 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 471 | 7 | 4 | 6 | 3.0 | O=C(Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2)NC1CC1 | 10.1016/j.bmcl.2013.11.062 | ||
| 10478859 | 87321 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 448 | 6 | 2 | 5 | 3.6 | CC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332931 | 87321 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 448 | 6 | 2 | 5 | 3.6 | CC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| 25141109 | 130254 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 493 | 5 | 4 | 4 | 3.8 | C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)(C)O | nan | ||
| CHEMBL3679659 | 130254 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 493 | 5 | 4 | 4 | 3.8 | C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)(C)O | nan | ||
| 25141109 | 130254 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 493 | 5 | 4 | 4 | 3.8 | C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)(C)O | nan | ||
| CHEMBL3679659 | 130254 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 493 | 5 | 4 | 4 | 3.8 | C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)(C)O | nan | ||
| 71570633 | 87330 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 445 | 6 | 3 | 6 | 3.2 | CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332940 | 87330 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 445 | 6 | 3 | 6 | 3.2 | CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| 21070989 | 86860 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86860 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 57889003 | 91126 | 4 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398726 | 91126 | 4 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57888919 | 91129 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398729 | 91129 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 72945510 | 104297 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 487 | 7 | 4 | 6 | 3.5 | O=C(Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)NC1CC1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099945 | 104297 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 487 | 7 | 4 | 6 | 3.5 | O=C(Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)NC1CC1 | 10.1016/j.bmcl.2013.11.062 | ||
| 6918497 | 113403 | 2 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(03)00748-0 | ||
| CHEMBL277930 | 113403 | 2 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(03)00748-0 | ||
| CHEMBL331897 | 113403 | 2 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(03)00748-0 | ||
| 6918497 | 113403 | 2 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(01)00176-7 | ||
| CHEMBL277930 | 113403 | 2 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(01)00176-7 | ||
| CHEMBL331897 | 113403 | 2 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(01)00176-7 | ||
| 10389562 | 87320 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 460 | 7 | 2 | 6 | 3.5 | COc1ccc(NC(C)=O)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332930 | 87320 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 460 | 7 | 2 | 6 | 3.5 | COc1ccc(NC(C)=O)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 | 10.1016/j.bmcl.2012.12.095 | ||
| 6918497 | 113403 | 2 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL277930 | 113403 | 2 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL331897 | 113403 | 2 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| 10032207 | 90756 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 536 | 6 | 3 | 7 | 3.1 | O=C(c1cc(Cl)c(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391803 | 90756 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 536 | 6 | 3 | 7 | 3.1 | O=C(c1cc(Cl)c(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| 9954423 | 87322 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 430 | 6 | 2 | 5 | 3.5 | CC(=O)Nc1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332932 | 87322 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 430 | 6 | 2 | 5 | 3.5 | CC(=O)Nc1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| 10409538 | 87324 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 414 | 6 | 2 | 5 | 3.0 | CC(=O)Nc1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332934 | 87324 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 414 | 6 | 2 | 5 | 3.0 | CC(=O)Nc1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| 57889003 | 91126 | 4 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398726 | 91126 | 4 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889327 | 91117 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 420 | 6 | 2 | 3 | 3.7 | CC(C)[C@@H](NC(=O)CC1CC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398717 | 91117 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 420 | 6 | 2 | 3 | 3.7 | CC(C)[C@@H](NC(=O)CC1CC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 25175119 | 130246 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 533 | 5 | 3 | 5 | 3.0 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(S(N)(=O)=O)c2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679651 | 130246 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 533 | 5 | 3 | 5 | 3.0 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(S(N)(=O)=O)c2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 44537841 | 672 | 13 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 672 | 13 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 672 | 13 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 672 | 13 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 672 | 13 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57888993 | 114449 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 471 | 6 | 3 | 3 | 4.3 | CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334818 | 114449 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 471 | 6 | 3 | 3 | 4.3 | CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 59278286 | 171531 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 453 | 6 | 1 | 7 | 3.2 | CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4464625 | 171531 | 1 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 453 | 6 | 1 | 7 | 3.2 | CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1 | 10.1016/j.bmcl.2018.12.024 | ||
| 25175119 | 130246 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 533 | 5 | 3 | 5 | 3.0 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(S(N)(=O)=O)c2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679651 | 130246 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 533 | 5 | 3 | 5 | 3.0 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(S(N)(=O)=O)c2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 68963686 | 90763 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 516 | 6 | 3 | 7 | 2.9 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCC(O)CC1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391810 | 90763 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 516 | 6 | 3 | 7 | 2.9 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCC(O)CC1 | 10.1016/j.bmcl.2013.04.047 | ||
| 512282 | 755 | 59 | None | 147 | 2 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2018.11.015 | ||
| 767 | 755 | 59 | None | 147 | 2 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL232656 | 755 | 59 | None | 147 | 2 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2018.11.015 | ||
| 57889430 | 91128 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398728 | 91128 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57888834 | 91144 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 436 | 7 | 2 | 3 | 4.4 | CC(C)CCC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398744 | 91144 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 436 | 7 | 2 | 3 | 4.4 | CC(C)CCC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 57889764 | 91166 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 457 | 6 | 2 | 4 | 3.6 | CC(C)[C@@H](NC(=O)Cc1ccncc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398769 | 91166 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 457 | 6 | 2 | 4 | 3.6 | CC(C)[C@@H](NC(=O)Cc1ccncc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 6918497 | 113403 | 2 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1016/j.ejmech.2020.113085 | ||
| CHEMBL277930 | 113403 | 2 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1016/j.ejmech.2020.113085 | ||
| CHEMBL331897 | 113403 | 2 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1016/j.ejmech.2020.113085 | ||
| 6918497 | 113403 | 2 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL277930 | 113403 | 2 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL331897 | 113403 | 2 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| 71655299 | 90750 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 529 | 7 | 2 | 7 | 3.0 | CN(C)[C@@H]1CCN(C(=O)c2ccc(O)cc2OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391797 | 90750 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 529 | 7 | 2 | 7 | 3.0 | CN(C)[C@@H]1CCN(C(=O)c2ccc(O)cc2OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| 25175289 | 130250 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 446 | 4 | 2 | 3 | 4.3 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)C2CCCC2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679655 | 130250 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 446 | 4 | 2 | 3 | 4.3 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)C2CCCC2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 72945311 | 104294 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 461 | 6 | 4 | 6 | 3.0 | CNC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099942 | 104294 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 461 | 6 | 4 | 6 | 3.0 | CNC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| 25175289 | 130250 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 446 | 4 | 2 | 3 | 4.3 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)C2CCCC2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679655 | 130250 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 446 | 4 | 2 | 3 | 4.3 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)C2CCCC2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 10367570 | 90748 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 472 | 7 | 3 | 6 | 3.1 | O=C(NC1CC1)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391795 | 90748 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 472 | 7 | 3 | 6 | 3.1 | O=C(NC1CC1)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| 10412648 | 90787 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 474 | 7 | 2 | 5 | 3.6 | O=C(NC1CC1)c1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391939 | 90787 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 474 | 7 | 2 | 5 | 3.6 | O=C(NC1CC1)c1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| 57889423 | 91147 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 434 | 5 | 2 | 3 | 4.1 | CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398747 | 91147 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 434 | 5 | 2 | 3 | 4.1 | CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 68959770 | 104292 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 485 | 6 | 2 | 5 | 4.2 | O=C(Nc1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCCC1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099940 | 104292 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 485 | 6 | 2 | 5 | 4.2 | O=C(Nc1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCCC1 | 10.1016/j.bmcl.2013.11.062 | ||
| 42602331 | 87331 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 429 | 6 | 3 | 6 | 2.7 | CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332941 | 87331 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 429 | 6 | 3 | 6 | 2.7 | CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| 21070989 | 86860 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86860 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44537841 | 672 | 13 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| 57889181 | 672 | 13 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| 9497 | 672 | 13 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL2398716 | 672 | 13 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL3334824 | 672 | 13 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2018.11.015 | ||
| 25141158 | 176219 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 471 | 5 | 2 | 4 | 4.4 | Cc1cc(C)c(C(=O)NC(C)(C)CC(=O)N2CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C2)cn1 | nan | ||
| CHEMBL4436541 | 176219 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 471 | 5 | 2 | 4 | 4.4 | Cc1cc(C)c(C(=O)NC(C)(C)CC(=O)N2CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C2)cn1 | nan | ||
| CHEMBL4594791 | 176219 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 471 | 5 | 2 | 4 | 4.4 | Cc1cc(C)c(C(=O)NC(C)(C)CC(=O)N2CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C2)cn1 | nan | ||
| 25175123 | 130248 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 462 | 4 | 3 | 4 | 3.2 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)[C@H]2CC[C@@H](O)C2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679653 | 130248 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 462 | 4 | 3 | 4 | 3.2 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)[C@H]2CC[C@@H](O)C2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25175123 | 130248 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 462 | 4 | 3 | 4 | 3.2 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)[C@H]2CC[C@@H](O)C2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679653 | 130248 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 462 | 4 | 3 | 4 | 3.2 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)[C@H]2CC[C@@H](O)C2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 57889430 | 91128 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398728 | 91128 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 25175288 | 130249 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 498 | 5 | 3 | 4 | 4.1 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(C(=O)O)c2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679654 | 130249 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 498 | 5 | 3 | 4 | 4.1 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(C(=O)O)c2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25175288 | 130249 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 498 | 5 | 3 | 4 | 4.1 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(C(=O)O)c2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679654 | 130249 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 498 | 5 | 3 | 4 | 4.1 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(C(=O)O)c2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 57889230 | 91139 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 484 | 8 | 2 | 3 | 5.0 | CC(C)[C@@H](NC(=O)CCCc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398739 | 91139 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 484 | 8 | 2 | 3 | 5.0 | CC(C)[C@@H](NC(=O)CCCc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57888834 | 91144 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 436 | 7 | 2 | 3 | 4.4 | CC(C)CCC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398744 | 91144 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 436 | 7 | 2 | 3 | 4.4 | CC(C)CCC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 25206951 | 175314 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 434 | 5 | 2 | 3 | 4.3 | CC(C)(CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)C1CCCC1 | nan | ||
| CHEMBL4574123 | 175314 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 434 | 5 | 2 | 3 | 4.3 | CC(C)(CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)C1CCCC1 | nan | ||
| 42602328 | 90746 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 446 | 6 | 3 | 6 | 2.6 | CNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391793 | 90746 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 446 | 6 | 3 | 6 | 2.6 | CNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| 10368175 | 90761 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 486 | 6 | 2 | 6 | 3.5 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCCC1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391808 | 90761 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 486 | 6 | 2 | 6 | 3.5 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCCC1 | 10.1016/j.bmcl.2013.04.047 | ||
| 66686405 | 175215 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 532 | 5 | 2 | 5 | 6.3 | CC(C)(O)c1ccc2c(c1)/C(=C\CCN1CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C1)c1cccnc1CO2 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4571977 | 175215 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 532 | 5 | 2 | 5 | 6.3 | CC(C)(O)c1ccc2c(c1)/C(=C\CCN1CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C1)c1cccnc1CO2 | 10.1016/j.bmcl.2018.11.015 | ||
| 57889897 | 91137 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 456 | 6 | 2 | 3 | 4.2 | CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398737 | 91137 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 456 | 6 | 2 | 3 | 4.2 | CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889071 | 91146 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 420 | 5 | 2 | 3 | 3.7 | CC(C)[C@@H](NC(=O)C1CCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398746 | 91146 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 420 | 5 | 2 | 3 | 3.7 | CC(C)[C@@H](NC(=O)C1CCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 59444283 | 172361 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 485 | 6 | 3 | 4 | 3.5 | CC(C)(CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)c1cccc(C(N)=O)c1 | nan | ||
| CHEMBL4476397 | 172361 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 485 | 6 | 3 | 4 | 3.5 | CC(C)(CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)c1cccc(C(N)=O)c1 | nan | ||
| 59474992 | 130251 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 497 | 5 | 3 | 4 | 3.5 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(C(N)=O)c2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679656 | 130251 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 497 | 5 | 3 | 4 | 3.5 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(C(N)=O)c2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 72945313 | 104295 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 521 | 7 | 4 | 6 | 4.2 | O=C(Nc1cc(Cl)c(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)NC1CC1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099943 | 104295 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 521 | 7 | 4 | 6 | 4.2 | O=C(Nc1cc(Cl)c(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)NC1CC1 | 10.1016/j.bmcl.2013.11.062 | ||
| 72945314 | 104296 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 501 | 8 | 3 | 6 | 3.8 | COc1ccc(NC(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099944 | 104296 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 501 | 8 | 3 | 6 | 3.8 | COc1ccc(NC(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 | 10.1016/j.bmcl.2013.11.062 | ||
| 59474992 | 130251 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 497 | 5 | 3 | 4 | 3.5 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(C(N)=O)c2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679656 | 130251 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 497 | 5 | 3 | 4 | 3.5 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)c2cccc(C(N)=O)c2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 10436125 | 90757 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 502 | 6 | 3 | 7 | 2.5 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391804 | 90757 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 502 | 6 | 3 | 7 | 2.5 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| 57889334 | 91143 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 422 | 6 | 2 | 3 | 4.0 | CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398743 | 91143 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 422 | 6 | 2 | 3 | 4.0 | CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 59444225 | 171652 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 467 | 6 | 4 | 4 | 3.4 | C[C@H](NC(=O)NC(C)(C)CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)(C)O | nan | ||
| CHEMBL4466344 | 171652 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 467 | 6 | 4 | 4 | 3.4 | C[C@H](NC(=O)NC(C)(C)CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)(C)O | nan | ||
| 11803142 | 11982 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 615 | 5 | 1 | 2 | 7.8 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1183314 | 11982 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 615 | 5 | 1 | 2 | 7.8 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL289902 | 11982 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 615 | 5 | 1 | 2 | 7.8 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| 57889736 | 114444 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334727 | 114444 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 57889679 | 91158 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 442 | 5 | 2 | 3 | 4.2 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398761 | 91158 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 442 | 5 | 2 | 3 | 4.2 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57888966 | 91168 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398771 | 91168 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889613 | 91159 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 432 | 5 | 2 | 3 | 4.3 | CC(C)[C@@H](NC(=O)c1ccc(F)c(O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398762 | 91159 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 432 | 5 | 2 | 3 | 4.3 | CC(C)[C@@H](NC(=O)c1ccc(F)c(O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57840192 | 86768 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 460 | 5 | 0 | 7 | 2.3 | COc1cc(N2CCN(C(=O)Cn3nc(S(C)(=O)=O)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2321887 | 86768 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 460 | 5 | 0 | 7 | 2.3 | COc1cc(N2CCN(C(=O)Cn3nc(S(C)(=O)=O)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 57840295 | 86830 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 407 | 4 | 0 | 6 | 2.7 | COc1cc(N2CCN(C(=O)Cn3nc(C#N)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322847 | 86830 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 407 | 4 | 0 | 6 | 2.7 | COc1cc(N2CCN(C(=O)Cn3nc(C#N)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 57840511 | 86852 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 466 | 5 | 1 | 6 | 3.1 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3CO)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322867 | 86852 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 466 | 5 | 1 | 6 | 3.1 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3CO)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 71719855 | 86865 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 484 | 4 | 0 | 5 | 4.5 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(Cl)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322880 | 86865 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 484 | 4 | 0 | 5 | 4.5 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(Cl)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 17753030 | 86982 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 486 | 7 | 2 | 7 | 2.5 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232441 | 86982 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 486 | 7 | 2 | 7 | 2.5 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 59278314 | 169894 | 22 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 425 | 5 | 1 | 7 | 2.3 | CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4441094 | 169894 | 22 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 425 | 5 | 1 | 7 | 2.3 | CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| 512282 | 755 | 59 | None | 147 | 2 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/acs.jmedchem.6b01309 | ||
| 767 | 755 | 59 | None | 147 | 2 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/acs.jmedchem.6b01309 | ||
| CHEMBL232656 | 755 | 59 | None | 147 | 2 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/acs.jmedchem.6b01309 | ||
| 512282 | 755 | 59 | None | 147 | 2 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/acs.jmedchem.6b01309 | ||
| 767 | 755 | 59 | None | 147 | 2 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/acs.jmedchem.6b01309 | ||
| CHEMBL232656 | 755 | 59 | None | 147 | 2 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/acs.jmedchem.6b01309 | ||
| 21070993 | 86859 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 434 | 3 | 0 | 4 | 4.2 | Cc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322874 | 86859 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 434 | 3 | 0 | 4 | 4.2 | Cc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 57888715 | 82817 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 426 | 5 | 1 | 2 | 5.1 | Cc1cccc(C(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)c1C | 10.1021/jm300896d | ||
| CHEMBL2180511 | 82817 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 426 | 5 | 1 | 2 | 5.1 | Cc1cccc(C(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)c1C | 10.1021/jm300896d | ||
| 44430755 | 153401 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2cccnc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL397910 | 153401 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2cccnc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453527 | 97511 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 477 | 4 | 0 | 4 | 4.7 | N#CC1(c2ccc(Cl)cc2)CCN(C2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270563 | 97511 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 477 | 4 | 0 | 4 | 4.7 | N#CC1(c2ccc(Cl)cc2)CCN(C2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 5481702 | 205800 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 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(00)00639-9 | ||
| CHEMBL83338 | 205800 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 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(00)00639-9 | ||
| 11329244 | 71087 | 11 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | 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 | 71087 | 11 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | 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 | 124349 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | 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 | 124349 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | 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 | ||
| 14338 | 4336 | 124 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccnc(-c2cc(C)ccn2)c1 | 10.1021/jm301121j | ||
| CHEMBL101165 | 4336 | 124 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 184 | 1 | 0 | 2 | 2.8 | Cc1ccnc(-c2cc(C)ccn2)c1 | 10.1021/jm301121j | ||
| 72792 | 199700 | 84 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccnc2c1ccc1c(C)ccnc12 | 10.1021/jm301121j | ||
| CHEMBL593442 | 199700 | 84 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 208 | 0 | 0 | 2 | 3.4 | Cc1ccnc2c1ccc1c(C)ccnc12 | 10.1021/jm301121j | ||
| 44309060 | 102962 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 446 | 10 | 3 | 3 | 4.3 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL306683 | 102962 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 446 | 10 | 3 | 3 | 4.3 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2004.02.021 | ||
| 57889664 | 82771 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 440 | 7 | 1 | 2 | 5.1 | Cc1ccc(CCC(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)cc1 | 10.1021/jm300896d | ||
| CHEMBL2180194 | 82771 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 440 | 7 | 1 | 2 | 5.1 | Cc1ccc(CCC(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)cc1 | 10.1021/jm300896d | ||
| 25175449 | 130235 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 526 | 4 | 2 | 5 | 4.1 | CC1(C)CN(C(=O)[C@H]2CC3(CC[C@H]2NC(=O)c2ccccc2)OCCO3)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679640 | 130235 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 526 | 4 | 2 | 5 | 4.1 | CC1(C)CN(C(=O)[C@H]2CC3(CC[C@H]2NC(=O)c2ccccc2)OCCO3)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25175449 | 130235 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 526 | 4 | 2 | 5 | 4.1 | CC1(C)CN(C(=O)[C@H]2CC3(CC[C@H]2NC(=O)c2ccccc2)OCCO3)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679640 | 130235 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 526 | 4 | 2 | 5 | 4.1 | CC1(C)CN(C(=O)[C@H]2CC3(CC[C@H]2NC(=O)c2ccccc2)OCCO3)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 57888707 | 91165 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 413 | 6 | 1 | 3 | 3.8 | CC(C)[C@@H](NC(=O)Cc1ccncc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398768 | 91165 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 413 | 6 | 1 | 3 | 3.8 | CC(C)[C@@H](NC(=O)Cc1ccncc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| 71718646 | 86863 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 464 | 4 | 0 | 5 | 4.2 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(C)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322878 | 86863 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 464 | 4 | 0 | 5 | 4.2 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(C)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 57888718 | 82824 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 428 | 6 | 1 | 3 | 5.0 | CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180518 | 82824 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 428 | 6 | 1 | 3 | 5.0 | CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 71719253 | 86838 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 480 | 5 | 1 | 6 | 3.2 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)[C@H](CO)C2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322854 | 86838 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 480 | 5 | 1 | 6 | 3.2 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)[C@H](CO)C2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 25233756 | 180858 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 467 | 4 | 1 | 2 | 5.6 | Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| CHEMBL475748 | 180858 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 467 | 4 | 1 | 2 | 5.6 | Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| 118714034 | 114451 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 424 | 6 | 3 | 4 | 2.7 | CC(C)[C@@H](NC(=O)C[C@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334820 | 114451 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 424 | 6 | 3 | 4 | 2.7 | CC(C)[C@@H](NC(=O)C[C@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 68496383 | 170036 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 503 | 5 | 3 | 5 | 3.7 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2cccc(C(=O)O)c2)CC[C@]1(O)c1ccc(C#N)cc1 | nan | ||
| CHEMBL4443024 | 170036 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 503 | 5 | 3 | 5 | 3.7 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2cccc(C(=O)O)c2)CC[C@]1(O)c1ccc(C#N)cc1 | nan | ||
| 59474993 | 130252 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 503 | 5 | 3 | 4 | 4.4 | [C-]#[N+]c1ccc([C@@]2(O)CCN(C(=O)[C@H]3CCCC[C@H]3NC(=O)c3cccc(C(=O)O)c3)CC2(C)C)cc1 | nan | ||
| CHEMBL3679657 | 130252 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 503 | 5 | 3 | 4 | 4.4 | [C-]#[N+]c1ccc([C@@]2(O)CCN(C(=O)[C@H]3CCCC[C@H]3NC(=O)c3cccc(C(=O)O)c3)CC2(C)C)cc1 | nan | ||
| 25175448 | 130233 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 469 | 4 | 3 | 3 | 4.8 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)Nc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679639 | 130233 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 469 | 4 | 3 | 3 | 4.8 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)Nc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25175448 | 130233 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 469 | 4 | 3 | 3 | 4.8 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)Nc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679639 | 130233 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 469 | 4 | 3 | 3 | 4.8 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)Nc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 71655559 | 90758 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 529 | 7 | 2 | 7 | 3.0 | CN(C)[C@H]1CCN(C(=O)c2ccc(O)cc2OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391805 | 90758 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 529 | 7 | 2 | 7 | 3.0 | CN(C)[C@H]1CCN(C(=O)c2ccc(O)cc2OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| 44453291 | 97394 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 442 | 7 | 2 | 4 | 3.6 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL269957 | 97394 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 442 | 7 | 2 | 4 | 3.6 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 21071070 | 86850 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 478 | 5 | 0 | 5 | 4.7 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C(C)C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322865 | 86850 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 478 | 5 | 0 | 5 | 4.7 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C(C)C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 10811980 | 99921 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 418 | 6 | 1 | 2 | 5.8 | O=C(NC1CCN(CC2CCCCCCC2)CC1)C(c1ccccc1)c1ccccc1 | 10.1021/jm0004244 | ||
| CHEMBL286355 | 99921 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 418 | 6 | 1 | 2 | 5.8 | O=C(NC1CCN(CC2CCCCCCC2)CC1)C(c1ccccc1)c1ccccc1 | 10.1021/jm0004244 | ||
| 21071081 | 86858 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 420 | 3 | 0 | 4 | 3.9 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322873 | 86858 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 420 | 3 | 0 | 4 | 3.9 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| 44453227 | 95368 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 548 | 4 | 1 | 4 | 4.5 | O=S(=O)(c1c(F)cc(F)cc1Br)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256887 | 95368 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 548 | 4 | 1 | 4 | 4.5 | O=S(=O)(c1c(F)cc(F)cc1Br)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 57888832 | 82765 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 446 | 6 | 1 | 2 | 5.1 | CC(C)[C@@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180188 | 82765 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 446 | 6 | 1 | 2 | 5.1 | CC(C)[C@@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44453436 | 97619 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 458 | 7 | 2 | 4 | 4.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL271079 | 97619 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 458 | 7 | 2 | 4 | 4.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453525 | 97475 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 452 | 4 | 1 | 4 | 3.6 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270358 | 97475 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 452 | 4 | 1 | 4 | 3.6 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(F)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 24758046 | 82813 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 416 | 5 | 1 | 2 | 4.6 | CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180507 | 82813 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 416 | 5 | 1 | 2 | 4.6 | CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 12015739 | 103589 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 413 | 10 | 3 | 4 | 3.5 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC(C)C)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.020 | ||
| CHEMBL308690 | 103589 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 413 | 10 | 3 | 4 | 3.5 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC(C)C)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.020 | ||
| 59444213 | 171275 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 484 | 5 | 2 | 4 | 4.2 | CC1(C)CN(C(=O)CC2(NC(=O)c3ccccc3)CCOCC2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL4460796 | 171275 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 484 | 5 | 2 | 4 | 4.2 | CC1(C)CN(C(=O)CC2(NC(=O)c3ccccc3)CCOCC2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 59444196 | 175272 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 442 | 5 | 2 | 3 | 4.2 | CC(NC(=O)c1ccccc1)C(C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| CHEMBL4573109 | 175272 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 442 | 5 | 2 | 3 | 4.2 | CC(NC(=O)c1ccccc1)C(C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| 68963562 | 90755 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 488 | 6 | 2 | 6 | 2.4 | O=C(c1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391802 | 90755 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 488 | 6 | 2 | 6 | 2.4 | O=C(c1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| 10073725 | 90765 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 476 | 8 | 4 | 7 | 2.0 | O=C(NCCO)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391812 | 90765 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 476 | 8 | 4 | 7 | 2.0 | O=C(NCCO)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| 57889974 | 91127 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398727 | 91127 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 21070989 | 86860 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86860 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 21070983 | 86861 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 464 | 5 | 0 | 5 | 4.3 | CCOc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322876 | 86861 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 464 | 5 | 0 | 5 | 4.3 | CCOc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 71718022 | 86871 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 480 | 5 | 1 | 6 | 3.4 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(CO)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322886 | 86871 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 480 | 5 | 1 | 6 | 3.4 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(CO)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44430752 | 87968 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 599 | 11 | 2 | 9 | 2.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCOCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL234295 | 87968 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 599 | 11 | 2 | 9 | 2.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCOCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 11803142 | 11982 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 615 | 5 | 1 | 2 | 7.8 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1183314 | 11982 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 615 | 5 | 1 | 2 | 7.8 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL289902 | 11982 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 615 | 5 | 1 | 2 | 7.8 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| 6918497 | 113403 | 2 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL277930 | 113403 | 2 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL331897 | 113403 | 2 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| 25175446 | 130232 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 450 | 3 | 2 | 4 | 4.5 | CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| CHEMBL3679638 | 130232 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 450 | 3 | 2 | 4 | 4.5 | CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| 25175446 | 130232 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 450 | 3 | 2 | 4 | 4.5 | CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| CHEMBL3679638 | 130232 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 450 | 3 | 2 | 4 | 4.5 | CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| 71560163 | 86834 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 411 | 5 | 1 | 6 | 2.3 | COc1cc(N2CCN(C(=O)Cn3nc(CN)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322850 | 86834 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 411 | 5 | 1 | 6 | 2.3 | COc1cc(N2CCN(C(=O)Cn3nc(CN)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 57840312 | 86856 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 382 | 4 | 0 | 5 | 2.9 | COc1cc(N2CCN(C(=O)Cn3ncc(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322871 | 86856 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 382 | 4 | 0 | 5 | 2.9 | COc1cc(N2CCN(C(=O)Cn3ncc(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 25233754 | 179312 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 473 | 4 | 1 | 2 | 5.7 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1Cl | 10.1021/jm801416q | ||
| CHEMBL473531 | 179312 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 473 | 4 | 1 | 2 | 5.7 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1Cl | 10.1021/jm801416q | ||
| 57889591 | 82844 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 398 | 6 | 1 | 2 | 4.6 | CCCC(NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180538 | 82844 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 398 | 6 | 1 | 2 | 4.6 | CCCC(NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 155549724 | 173837 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.4 | Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4539264 | 173837 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.4 | Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2018.11.015 | ||
| 24758630 | 82800 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 438 | 5 | 1 | 2 | 5.4 | O=C(N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C1CCCCC1)c1ccccc1 | 10.1021/jm300896d | ||
| CHEMBL2180494 | 82800 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 438 | 5 | 1 | 2 | 5.4 | O=C(N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C1CCCCC1)c1ccccc1 | 10.1021/jm300896d | ||
| 57889696 | 82833 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 384 | 5 | 1 | 2 | 4.3 | CC[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180527 | 82833 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 384 | 5 | 1 | 2 | 4.3 | CC[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 57888938 | 91163 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 477 | 6 | 2 | 4 | 3.1 | CC(C)[C@@H](NC(=O)c1cccc(S(N)(=O)=O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398766 | 91163 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 477 | 6 | 2 | 4 | 3.1 | CC(C)[C@@H](NC(=O)c1cccc(S(N)(=O)=O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| 11124782 | 118443 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 587 | 11 | 3 | 3 | 7.3 | O=C(NCC1CCCCC1)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| CHEMBL341306 | 118443 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 587 | 11 | 3 | 3 | 7.3 | O=C(NCC1CCCCC1)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| 44453357 | 97495 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 434 | 4 | 1 | 4 | 3.5 | O=S(=O)(c1ccccc1)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270419 | 97495 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 434 | 4 | 1 | 4 | 3.5 | O=S(=O)(c1ccccc1)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 57889164 | 91160 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 476 | 5 | 3 | 4 | 4.1 | CC(C)[C@@H](NC(=O)c1ccc(F)c(O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398763 | 91160 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 476 | 5 | 3 | 4 | 4.1 | CC(C)[C@@H](NC(=O)c1ccc(F)c(O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44431529 | 87959 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 490 | 9 | 1 | 5 | 4.0 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2C(=O)CCC(=O)O)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| CHEMBL234263 | 87959 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 490 | 9 | 1 | 5 | 4.0 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2C(=O)CCC(=O)O)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| 57889660 | 91140 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 380 | 4 | 2 | 3 | 2.9 | CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398740 | 91140 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 380 | 4 | 2 | 3 | 2.9 | CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 21070989 | 86860 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86860 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 24758296 | 82763 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 430 | 6 | 1 | 2 | 4.6 | CC(C)[C@@H](NC(=O)Cc1ccccc1F)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180186 | 82763 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 430 | 6 | 1 | 2 | 4.6 | CC(C)[C@@H](NC(=O)Cc1ccccc1F)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 72945111 | 104312 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 459 | 7 | 3 | 6 | 2.8 | CNC(=O)Nc1ccc(OC)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099960 | 104312 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 459 | 7 | 3 | 6 | 2.8 | CNC(=O)Nc1ccc(OC)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| 68958915 | 90754 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 470 | 6 | 2 | 6 | 2.2 | O=C(c1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1ccccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391801 | 90754 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 470 | 6 | 2 | 6 | 2.2 | O=C(c1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1ccccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| 57888652 | 82845 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 412 | 6 | 1 | 2 | 4.9 | CC(C)CC(NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180539 | 82845 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 412 | 6 | 1 | 2 | 4.9 | CC(C)CC(NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44309267 | 204031 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL69978 | 204031 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| 25231480 | 190051 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 389 | 4 | 1 | 2 | 4.1 | CN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| CHEMBL517261 | 190051 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 389 | 4 | 1 | 2 | 4.1 | CN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| 72947880 | 104308 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 445 | 5 | 2 | 7 | 3.7 | Nc1nc2c(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)cccc2s1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099956 | 104308 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 445 | 5 | 2 | 7 | 3.7 | Nc1nc2c(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)cccc2s1 | 10.1016/j.bmcl.2013.11.062 | ||
| 69437067 | 104309 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 444 | 5 | 1 | 6 | 4.5 | Cc1nc2c(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)cccc2s1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099957 | 104309 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 444 | 5 | 1 | 6 | 4.5 | Cc1nc2c(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)cccc2s1 | 10.1016/j.bmcl.2013.11.062 | ||
| 10628025 | 11141 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 523 | 6 | 1 | 2 | 7.6 | O=C(NC1CC[N+](Cc2ccccc2)(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| CHEMBL1178588 | 11141 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 523 | 6 | 1 | 2 | 7.6 | O=C(NC1CC[N+](Cc2ccccc2)(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| CHEMBL33586 | 11141 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 523 | 6 | 1 | 2 | 7.6 | O=C(NC1CC[N+](Cc2ccccc2)(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| 44453464 | 95272 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 488 | 4 | 1 | 4 | 3.9 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3cc(F)c(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256449 | 95272 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 488 | 4 | 1 | 4 | 3.9 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3cc(F)c(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 11082578 | 118044 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 603 | 10 | 3 | 3 | 7.5 | O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)Nc1cc(F)ccc1F | 10.1021/jm0201767 | ||
| CHEMBL340491 | 118044 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 603 | 10 | 3 | 3 | 7.5 | O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)Nc1cc(F)ccc1F | 10.1021/jm0201767 | ||
| 71719254 | 86866 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 528 | 4 | 0 | 5 | 4.6 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(Br)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322881 | 86866 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 528 | 4 | 0 | 5 | 4.6 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(Br)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 25175122 | 130247 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 462 | 4 | 3 | 4 | 3.2 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)[C@@H]2CC[C@H](O)C2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679652 | 130247 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 462 | 4 | 3 | 4 | 3.2 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)[C@@H]2CC[C@H](O)C2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 24758297 | 82814 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 434 | 5 | 1 | 2 | 4.8 | CC(C)[C@@H](NC(=O)c1ccc(F)c(F)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180508 | 82814 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 434 | 5 | 1 | 2 | 4.8 | CC(C)[C@@H](NC(=O)c1ccc(F)c(F)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 10769447 | 11147 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 4 | 1 | 2 | 6.0 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1016/j.ejmech.2020.113085 | ||
| CHEMBL1178601 | 11147 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 4 | 1 | 2 | 6.0 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1016/j.ejmech.2020.113085 | ||
| CHEMBL34165 | 11147 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 4 | 1 | 2 | 6.0 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1016/j.ejmech.2020.113085 | ||
| 10769447 | 11147 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 4 | 1 | 2 | 6.0 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178601 | 11147 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 4 | 1 | 2 | 6.0 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL34165 | 11147 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 4 | 1 | 2 | 6.0 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 25175122 | 130247 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 462 | 4 | 3 | 4 | 3.2 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)[C@@H]2CC[C@H](O)C2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679652 | 130247 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 462 | 4 | 3 | 4 | 3.2 | CC1(C)CN(C(=O)[C@H]2CCC[C@H]2NC(=O)[C@@H]2CC[C@H](O)C2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 44537841 | 672 | 13 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 672 | 13 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 672 | 13 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 672 | 13 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 672 | 13 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 25174956 | 130245 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | C[C@@H](O)CNC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| CHEMBL3679650 | 130245 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | C[C@@H](O)CNC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| 25174956 | 130245 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | C[C@@H](O)CNC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| CHEMBL3679650 | 130245 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | C[C@@H](O)CNC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| 24782826 | 189562 | 8 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 439 | 4 | 1 | 2 | 5.0 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL514611 | 189562 | 8 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 439 | 4 | 1 | 2 | 5.0 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| 24782826 | 189562 | 8 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 439 | 4 | 1 | 2 | 5.0 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 | 10.1021/jm801416q | ||
| CHEMBL514611 | 189562 | 8 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 439 | 4 | 1 | 2 | 5.0 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 | 10.1021/jm801416q | ||
| 57889255 | 82766 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 426 | 6 | 1 | 2 | 4.7 | Cc1ccc(CC(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)cc1 | 10.1021/jm300896d | ||
| CHEMBL2180189 | 82766 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 426 | 6 | 1 | 2 | 4.7 | Cc1ccc(CC(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)cc1 | 10.1021/jm300896d | ||
| 44430726 | 86985 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 502 | 8 | 2 | 7 | 2.6 | CNc1c(Nc2cc(F)c(F)cc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232455 | 86985 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 502 | 8 | 2 | 7 | 2.6 | CNc1c(Nc2cc(F)c(F)cc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453293 | 167380 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 486 | 7 | 2 | 4 | 3.8 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Br | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL429591 | 167380 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 486 | 7 | 2 | 4 | 3.8 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Br | 10.1016/j.bmcl.2007.09.068 | ||
| 10765199 | 112800 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 432 | 4 | 1 | 3 | 5.9 | O=C(NC1CCN(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1016/j.ejmech.2020.113085 | ||
| CHEMBL33074 | 112800 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 432 | 4 | 1 | 3 | 5.9 | O=C(NC1CCN(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1016/j.ejmech.2020.113085 | ||
| 10765199 | 112800 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 432 | 4 | 1 | 3 | 5.9 | O=C(NC1CCN(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| CHEMBL33074 | 112800 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 432 | 4 | 1 | 3 | 5.9 | O=C(NC1CCN(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| 10676520 | 11140 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 617 | 5 | 1 | 2 | 7.9 | CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178581 | 11140 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 617 | 5 | 1 | 2 | 7.9 | CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33340 | 11140 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 617 | 5 | 1 | 2 | 7.9 | CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| 10509339 | 12338 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 631 | 6 | 1 | 2 | 8.3 | CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1185511 | 12338 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 631 | 6 | 1 | 2 | 8.3 | CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL418589 | 12338 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 631 | 6 | 1 | 2 | 8.3 | CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| 44453614 | 155241 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Br)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL402825 | 155241 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Br)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| 11814253 | 116929 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 635 | 10 | 3 | 3 | 8.2 | O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 | 10.1021/jm0201767 | ||
| CHEMBL338624 | 116929 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 635 | 10 | 3 | 3 | 8.2 | O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 | 10.1021/jm0201767 | ||
| 71455572 | 82829 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180523 | 82829 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 21070989 | 86860 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86860 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 57889660 | 91140 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 380 | 4 | 2 | 3 | 2.9 | CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398740 | 91140 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 380 | 4 | 2 | 3 | 2.9 | CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 57889158 | 91134 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 443 | 5 | 2 | 4 | 3.6 | CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398734 | 91134 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 443 | 5 | 2 | 4 | 3.6 | CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44430754 | 166652 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2ccccn2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL428193 | 166652 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2ccccn2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44309165 | 203984 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 490 | 9 | 3 | 6 | 3.0 | CC1CC([C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cnc3ccccc3n2)C(N)=O)CC(C)O1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL69659 | 203984 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 490 | 9 | 3 | 6 | 3.0 | CC1CC([C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cnc3ccccc3n2)C(N)=O)CC(C)O1 | 10.1016/j.bmcl.2004.02.021 | ||
| 25174462 | 130241 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 496 | 6 | 2 | 3 | 5.1 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CCc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679646 | 130241 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 496 | 6 | 2 | 3 | 5.1 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CCc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25174462 | 130241 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 496 | 6 | 2 | 3 | 5.1 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CCc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679646 | 130241 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 496 | 6 | 2 | 3 | 5.1 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CCc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 44453202 | 95264 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 422 | 7 | 2 | 4 | 3.3 | Cc1ccccc1S(=O)(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256404 | 95264 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 422 | 7 | 2 | 4 | 3.3 | Cc1ccccc1S(=O)(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10555351 | 116132 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 586 | 4 | 1 | 3 | 7.3 | O=C(NC1CCN(C/C2=C/CCCCCC2)CC1)C1c2cc(Br)ccc2Oc2ccc(Br)cc21 | 10.1021/jm0004244 | ||
| CHEMBL33580 | 116132 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 586 | 4 | 1 | 3 | 7.3 | O=C(NC1CCN(C/C2=C/CCCCCC2)CC1)C1c2cc(Br)ccc2Oc2ccc(Br)cc21 | 10.1021/jm0004244 | ||
| 44309155 | 204012 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 453 | 10 | 3 | 4 | 4.5 | CNC(=O)[C@@H](CC(C)C)C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.020 | ||
| CHEMBL69822 | 204012 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 453 | 10 | 3 | 4 | 4.5 | CNC(=O)[C@@H](CC(C)C)C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.020 | ||
| 24758743 | 82830 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 364 | 6 | 1 | 2 | 4.0 | CC[C@@H](NC(=O)CC(C)C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180524 | 82830 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 364 | 6 | 1 | 2 | 4.0 | CC[C@@H](NC(=O)CC(C)C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 57888775 | 82847 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 412 | 6 | 1 | 2 | 5.0 | CCCC(NC(=O)c1ccccc1C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180541 | 82847 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 412 | 6 | 1 | 2 | 5.0 | CCCC(NC(=O)c1ccccc1C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 57889484 | 91161 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 532 | 7 | 3 | 3 | 5.7 | CC(C)[C@@H](NC(=O)c1cccc(-c2ccccc2NC(N)=O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398764 | 91161 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 532 | 7 | 3 | 3 | 5.7 | CC(C)[C@@H](NC(=O)c1cccc(-c2ccccc2NC(N)=O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| 11351191 | 86828 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 440 | 5 | 1 | 6 | 3.1 | COc1cc(N2CCN(C(=O)Cn3nc(C(C)(C)O)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322845 | 86828 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 440 | 5 | 1 | 6 | 3.1 | COc1cc(N2CCN(C(=O)Cn3nc(C(C)(C)O)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 71718023 | 86872 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 479 | 5 | 1 | 6 | 3.3 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(CN)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322887 | 86872 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 479 | 5 | 1 | 6 | 3.3 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(CN)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44537841 | 672 | 13 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 672 | 13 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 672 | 13 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 672 | 13 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 672 | 13 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 69437029 | 104307 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 427 | 5 | 1 | 5 | 4.6 | Cc1cc2c(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)cccc2o1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099955 | 104307 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 427 | 5 | 1 | 5 | 4.6 | Cc1cc2c(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)cccc2o1 | 10.1016/j.bmcl.2013.11.062 | ||
| 44430742 | 142025 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 557 | 11 | 2 | 8 | 2.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN(C)C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL387821 | 142025 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 557 | 11 | 2 | 8 | 2.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN(C)C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44430724 | 151996 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 484 | 8 | 2 | 7 | 2.5 | CNc1c(Nc2cc(F)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL396700 | 151996 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 484 | 8 | 2 | 7 | 2.5 | CNc1c(Nc2cc(F)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453529 | 97812 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 414 | 7 | 2 | 5 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccs1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL272097 | 97812 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 414 | 7 | 2 | 5 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccs1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309347 | 204251 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 516 | 10 | 3 | 5 | 4.4 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL71242 | 204251 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 516 | 10 | 3 | 5 | 4.4 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| 10502989 | 113296 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 434 | 6 | 2 | 3 | 4.9 | O=C(NC1CCN(CC2CCCCCCC2)CC1)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm0004244 | ||
| CHEMBL33159 | 113296 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 434 | 6 | 2 | 3 | 4.9 | O=C(NC1CCN(CC2CCCCCCC2)CC1)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm0004244 | ||
| 57991685 | 91120 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 449 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@H](N)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398720 | 91120 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 449 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@H](N)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 10875472 | 113632 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 568 | 10 | 3 | 4 | 6.6 | O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)Nc1ccncc1 | 10.1021/jm0201767 | ||
| CHEMBL332277 | 113632 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 568 | 10 | 3 | 4 | 6.6 | O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)Nc1ccncc1 | 10.1021/jm0201767 | ||
| 44430753 | 141998 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 598 | 11 | 3 | 9 | 2.2 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL387608 | 141998 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 598 | 11 | 3 | 9 | 2.2 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44309237 | 102792 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 463 | 10 | 4 | 5 | 3.4 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2nc1O | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL305420 | 102792 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 463 | 10 | 4 | 5 | 3.4 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2nc1O | 10.1016/j.bmcl.2004.02.021 | ||
| 71681400 | 91125 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 449 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@H]1N)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398725 | 91125 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 449 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@H]1N)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 25252974 | 16166 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 449 | 4 | 1 | 4 | 5.4 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nncn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL1224188 | 16166 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 449 | 4 | 1 | 4 | 5.4 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nncn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| 10580015 | 11145 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 515 | 4 | 1 | 2 | 7.3 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178597 | 11145 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 515 | 4 | 1 | 2 | 7.3 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33929 | 11145 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 515 | 4 | 1 | 2 | 7.3 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| 25175450 | 130236 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 4 | 2 | 4 | 4.0 | CC1(C)CN(C(=O)[C@H]2CC(=O)CC[C@H]2NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679641 | 130236 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 4 | 2 | 4 | 4.0 | CC1(C)CN(C(=O)[C@H]2CC(=O)CC[C@H]2NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25175450 | 130236 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 4 | 2 | 4 | 4.0 | CC1(C)CN(C(=O)[C@H]2CC(=O)CC[C@H]2NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679641 | 130236 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 4 | 2 | 4 | 4.0 | CC1(C)CN(C(=O)[C@H]2CC(=O)CC[C@H]2NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 44430735 | 87920 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 528 | 10 | 2 | 7 | 3.8 | CCCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL234081 | 87920 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 528 | 10 | 2 | 7 | 3.8 | CCCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 57889667 | 82837 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 458 | 5 | 2 | 3 | 3.7 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Br)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180531 | 82837 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 458 | 5 | 2 | 3 | 3.7 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Br)cc2)CC1 | 10.1021/jm300896d | ||
| 71452035 | 82818 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 426 | 5 | 1 | 2 | 5.1 | Cc1cccc(C)c1C(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| CHEMBL2180512 | 82818 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 426 | 5 | 1 | 2 | 5.1 | Cc1cccc(C)c1C(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| 44430752 | 87968 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 599 | 11 | 2 | 9 | 2.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCOCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL234295 | 87968 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 599 | 11 | 2 | 9 | 2.7 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCOCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 24738063 | 91155 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 419 | 5 | 1 | 3 | 4.1 | CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398758 | 91155 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 419 | 5 | 1 | 3 | 4.1 | CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889679 | 91158 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 442 | 5 | 2 | 3 | 4.2 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398761 | 91158 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 442 | 5 | 2 | 3 | 4.2 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57840356 | 86848 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 436 | 4 | 0 | 5 | 3.6 | COc1cc(N2CCN(C(=O)Cn3cc(Cl)c(C(F)(F)F)n3)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322863 | 86848 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 436 | 4 | 0 | 5 | 3.6 | COc1cc(N2CCN(C(=O)Cn3cc(Cl)c(C(F)(F)F)n3)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 57889975 | 82769 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 444 | 7 | 1 | 2 | 5.0 | CC(C)[C@@H](NC(=O)CCc1ccccc1F)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180192 | 82769 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 444 | 7 | 1 | 2 | 5.0 | CC(C)[C@@H](NC(=O)CCc1ccccc1F)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 24758298 | 82772 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 455 | 5 | 1 | 4 | 5.1 | CC(C)[C@@H](NC(=O)c1nc2ccccc2s1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180195 | 82772 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 455 | 5 | 1 | 4 | 5.1 | CC(C)[C@@H](NC(=O)c1nc2ccccc2s1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 71570634 | 87332 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 411 | 6 | 3 | 6 | 2.5 | CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(CC1)Cc1ccccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332942 | 87332 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 411 | 6 | 3 | 6 | 2.5 | CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(CC1)Cc1ccccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| 44430748 | 87192 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 529 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232837 | 87192 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 529 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 25176235 | 130237 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 483 | 4 | 3 | 3 | 5.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)Nc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679642 | 130237 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 483 | 4 | 3 | 3 | 5.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)Nc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25176235 | 130237 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 483 | 4 | 3 | 3 | 5.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)Nc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679642 | 130237 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 483 | 4 | 3 | 3 | 5.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)Nc2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25174305 | 130239 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 470 | 4 | 2 | 5 | 3.6 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2cncnc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679644 | 130239 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 470 | 4 | 2 | 5 | 3.6 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2cncnc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25174305 | 130239 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 470 | 4 | 2 | 5 | 3.6 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2cncnc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679644 | 130239 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 470 | 4 | 2 | 5 | 3.6 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2cncnc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 57889141 | 82827 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 427 | 6 | 2 | 2 | 4.6 | CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180521 | 82827 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 427 | 6 | 2 | 2 | 4.6 | CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 57889796 | 82854 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 414 | 5 | 2 | 3 | 3.6 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180548 | 82854 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 414 | 5 | 2 | 3 | 3.6 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 73349030 | 91151 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398751 | 91151 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 10555068 | 11978 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 443 | 4 | 1 | 1 | 6.7 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)c2c3ccccc3cc3ccccc23)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1183306 | 11978 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 443 | 4 | 1 | 1 | 6.7 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)c2c3ccccc3cc3ccccc23)CC1 | 10.1021/jm0004244 | ||
| CHEMBL289682 | 11978 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 443 | 4 | 1 | 1 | 6.7 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)c2c3ccccc3cc3ccccc23)CC1 | 10.1021/jm0004244 | ||
| 21070982 | 86876 | 1 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 464 | 3 | 0 | 4 | 4.0 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322891 | 86876 | 1 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 464 | 3 | 0 | 4 | 4.0 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(Br)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| 57889592 | 82838 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 396 | 5 | 1 | 2 | 4.4 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180532 | 82838 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 396 | 5 | 1 | 2 | 4.4 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44453433 | 160815 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL411476 | 160815 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309087 | 102368 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccnc2ccccc12 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL303947 | 102368 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccnc2ccccc12 | 10.1016/j.bmcl.2004.02.021 | ||
| 57889180 | 114443 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334726 | 114443 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 57840556 | 86841 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 416 | 4 | 0 | 5 | 3.2 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322857 | 86841 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 416 | 4 | 0 | 5 | 3.2 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 24758299 | 82767 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 440 | 7 | 1 | 2 | 5.1 | Cc1ccccc1CCC(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| CHEMBL2180190 | 82767 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 440 | 7 | 1 | 2 | 5.1 | Cc1ccccc1CCC(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| 795 | 572 | 5 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 480 | 6 | 2 | 6 | 5.1 | O=C(NC1CCN(CC1)Cc1ccc(c(c1)Cl)Cl)CSc1nc2c(s1)cc(cc2)N | 10.1016/s0960-894x(01)00176-7 | ||
| 796 | 572 | 5 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 480 | 6 | 2 | 6 | 5.1 | O=C(NC1CCN(CC1)Cc1ccc(c(c1)Cl)Cl)CSc1nc2c(s1)cc(cc2)N | 10.1016/s0960-894x(01)00176-7 | ||
| 9913085 | 572 | 5 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 480 | 6 | 2 | 6 | 5.1 | O=C(NC1CCN(CC1)Cc1ccc(c(c1)Cl)Cl)CSc1nc2c(s1)cc(cc2)N | 10.1016/s0960-894x(01)00176-7 | ||
| CHEMBL20921 | 572 | 5 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 480 | 6 | 2 | 6 | 5.1 | O=C(NC1CCN(CC1)Cc1ccc(c(c1)Cl)Cl)CSc1nc2c(s1)cc(cc2)N | 10.1016/s0960-894x(01)00176-7 | ||
| 44453637 | 97961 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL272758 | 97961 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10505512 | 116536 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 498 | 4 | 1 | 3 | 7.1 | O=C(NC1CCN(C/C2=C/CCCCCC2)CC1)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc21 | 10.1021/jm0004244 | ||
| CHEMBL33639 | 116536 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 498 | 4 | 1 | 3 | 7.1 | O=C(NC1CCN(C/C2=C/CCCCCC2)CC1)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc21 | 10.1021/jm0004244 | ||
| 57889625 | 82851 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 448 | 6 | 1 | 2 | 5.8 | CCCC(NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180545 | 82851 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 448 | 6 | 1 | 2 | 5.8 | CCCC(NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 57888746 | 91121 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 449 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@H]1CC[C@@H](N)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398721 | 91121 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 449 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@H]1CC[C@@H](N)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 73347500 | 91153 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 475 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@](N)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398753 | 91153 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 475 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@](N)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44453638 | 166458 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL427834 | 166458 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| 52916803 | 170958 | 18 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4456123 | 170958 | 18 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| 57888907 | 114448 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 437 | 6 | 3 | 3 | 3.9 | CC[C@H](C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334817 | 114448 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 437 | 6 | 3 | 3 | 3.9 | CC[C@H](C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1021/jm5003167 | ||
| 11744314 | 87325 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 446 | 6 | 3 | 6 | 3.2 | CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332935 | 87325 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 446 | 6 | 3 | 6 | 3.2 | CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| 57840363 | 86837 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 464 | 4 | 0 | 5 | 4.3 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)[C@@H](C)C2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322853 | 86837 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 464 | 4 | 0 | 5 | 4.3 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)[C@@H](C)C2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 57889099 | 114442 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 449 | 5 | 3 | 3 | 4.1 | CC(C)[C@@H](NC(=O)NC1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334725 | 114442 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 449 | 5 | 3 | 3 | 4.1 | CC(C)[C@@H](NC(=O)NC1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 118714001 | 114445 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334728 | 114445 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 57888907 | 114448 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 437 | 6 | 3 | 3 | 3.9 | CC[C@H](C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334817 | 114448 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 437 | 6 | 3 | 3 | 3.9 | CC[C@H](C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1021/jm5003167 | ||
| 118714035 | 114452 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 439 | 6 | 4 | 4 | 2.5 | CC(C)[C@@H](NC(=O)NC[C@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334821 | 114452 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 439 | 6 | 4 | 4 | 2.5 | CC(C)[C@@H](NC(=O)NC[C@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 118714036 | 114453 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 424 | 6 | 3 | 4 | 2.7 | CC(C)[C@@H](NC(=O)C[C@@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334822 | 114453 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 424 | 6 | 3 | 4 | 2.7 | CC(C)[C@@H](NC(=O)C[C@@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 118714037 | 114454 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 439 | 6 | 4 | 4 | 2.5 | CC(C)[C@@H](NC(=O)NC[C@@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334823 | 114454 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 439 | 6 | 4 | 4 | 2.5 | CC(C)[C@@H](NC(=O)NC[C@@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 118714038 | 114455 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 452 | 7 | 3 | 4 | 3.5 | CC(C)[C@@H](NC(=O)CCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334825 | 114455 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 452 | 7 | 3 | 4 | 3.5 | CC(C)[C@@H](NC(=O)CCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 10698568 | 11148 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 459 | 5 | 1 | 2 | 6.3 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1016/j.ejmech.2020.113085 | ||
| CHEMBL1178613 | 11148 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 459 | 5 | 1 | 2 | 6.3 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1016/j.ejmech.2020.113085 | ||
| CHEMBL34732 | 11148 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 459 | 5 | 1 | 2 | 6.3 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1016/j.ejmech.2020.113085 | ||
| 10698568 | 11148 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 459 | 5 | 1 | 2 | 6.3 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178613 | 11148 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 459 | 5 | 1 | 2 | 6.3 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL34732 | 11148 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 459 | 5 | 1 | 2 | 6.3 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 57889003 | 91126 | 4 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398726 | 91126 | 4 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 25175283 | 130231 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 4 | 2 | 3 | 4.8 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679637 | 130231 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 4 | 2 | 3 | 4.8 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25175283 | 130231 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 4 | 2 | 3 | 4.8 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679637 | 130231 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 4 | 2 | 3 | 4.8 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 71681399 | 91124 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 449 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1N)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398724 | 91124 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 449 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1N)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889077 | 91148 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 448 | 5 | 2 | 3 | 4.5 | CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398748 | 91148 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 448 | 5 | 2 | 3 | 4.5 | CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 59444189 | 172166 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 510 | 6 | 2 | 7 | 3.4 | CC(C)(CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)c1cccc(-n2cnnn2)c1 | nan | ||
| CHEMBL4473668 | 172166 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 510 | 6 | 2 | 7 | 3.4 | CC(C)(CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)c1cccc(-n2cnnn2)c1 | nan | ||
| 72945511 | 104298 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 485 | 8 | 3 | 6 | 3.3 | COc1ccc(NC(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(F)ccc2O3)c1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099946 | 104298 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 485 | 8 | 3 | 6 | 3.3 | COc1ccc(NC(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(F)ccc2O3)c1 | 10.1016/j.bmcl.2013.11.062 | ||
| 57991707 | 91122 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398722 | 91122 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 71680936 | 91150 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 563 | 8 | 3 | 6 | 3.2 | CC(C)[C@@H](NC(=O)C1CCCC1(O)CCN1CCOCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398750 | 91150 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 563 | 8 | 3 | 6 | 3.2 | CC(C)[C@@H](NC(=O)C1CCCC1(O)CCN1CCOCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 52916803 | 170958 | 18 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | 10.6019/CHEMBL5210121 | ||
| CHEMBL4456123 | 170958 | 18 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | 10.6019/CHEMBL5210121 | ||
| 21070989 | 86860 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86860 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 68963393 | 90753 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 504 | 6 | 2 | 6 | 2.9 | O=C(c1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391800 | 90753 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 504 | 6 | 2 | 6 | 2.9 | O=C(c1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| 10480588 | 90786 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 486 | 8 | 2 | 6 | 3.5 | COc1ccc(C(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391938 | 90786 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 486 | 8 | 2 | 6 | 3.5 | COc1ccc(C(=O)NC2CC2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 | 10.1016/j.bmcl.2013.04.047 | ||
| 57889423 | 91147 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 434 | 5 | 2 | 3 | 4.1 | CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398747 | 91147 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 434 | 5 | 2 | 3 | 4.1 | CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 10555108 | 11135 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 445 | 4 | 1 | 2 | 5.9 | C[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178543 | 11135 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 445 | 4 | 1 | 2 | 5.9 | C[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL32257 | 11135 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 445 | 4 | 1 | 2 | 5.9 | C[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 10094212 | 87326 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 430 | 6 | 3 | 6 | 2.7 | CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332936 | 87326 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 430 | 6 | 3 | 6 | 2.7 | CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| 57889347 | 91149 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 514 | 6 | 2 | 3 | 5.5 | CC(C)[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398749 | 91149 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 514 | 6 | 2 | 3 | 5.5 | CC(C)[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889003 | 91126 | 4 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398726 | 91126 | 4 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 10072781 | 90785 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 456 | 7 | 2 | 5 | 3.4 | O=C(NC1CC1)c1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391937 | 90785 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 456 | 7 | 2 | 5 | 3.4 | O=C(NC1CC1)c1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| 10531632 | 11137 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.7 | CCC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178571 | 11137 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.7 | CCC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33050 | 11137 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.7 | CCC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 57888919 | 91129 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398729 | 91129 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889334 | 91143 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 422 | 6 | 2 | 3 | 4.0 | CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398743 | 91143 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 422 | 6 | 2 | 3 | 4.0 | CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 57889164 | 91160 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 476 | 5 | 3 | 4 | 4.1 | CC(C)[C@@H](NC(=O)c1ccc(F)c(O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398763 | 91160 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 476 | 5 | 3 | 4 | 4.1 | CC(C)[C@@H](NC(=O)c1ccc(F)c(O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 71681244 | 91123 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@H]1O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398723 | 91123 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@H]1O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57840282 | 86829 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 460 | 4 | 0 | 5 | 3.6 | COc1cc(N2CCN(C(=O)Cn3nc(Br)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322846 | 86829 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 460 | 4 | 0 | 5 | 3.6 | COc1cc(N2CCN(C(=O)Cn3nc(Br)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 25253284 | 16152 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 450 | 4 | 1 | 5 | 4.8 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nnnn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL1224119 | 16152 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 450 | 4 | 1 | 5 | 4.8 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nnnn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| 24758406 | 82810 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 404 | 6 | 1 | 2 | 4.8 | CC(C)[C@@H](NC(=O)CC1CCCC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180504 | 82810 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 404 | 6 | 1 | 2 | 4.8 | CC(C)[C@@H](NC(=O)CC1CCCC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 57889047 | 114441 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 457 | 5 | 3 | 3 | 4.6 | CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334724 | 114441 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 457 | 5 | 3 | 3 | 4.6 | CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 44430746 | 87088 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 530 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCO)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232638 | 87088 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 530 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCO)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44309195 | 102121 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 496 | 9 | 3 | 5 | 3.6 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCC(F)(F)CC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL302533 | 102121 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 496 | 9 | 3 | 5 | 3.6 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCC(F)(F)CC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 44430721 | 144492 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 8 | 2 | 7 | 3.1 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL390707 | 144492 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 8 | 2 | 7 | 3.1 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453320 | 97461 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270253 | 97461 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10525291 | 118049 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 404 | 4 | 1 | 3 | 5.1 | O=C(NC1CCN(CC2CCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1016/j.ejmech.2020.113085 | ||
| CHEMBL34053 | 118049 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 404 | 4 | 1 | 3 | 5.1 | O=C(NC1CCN(CC2CCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1016/j.ejmech.2020.113085 | ||
| 10525291 | 118049 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 404 | 4 | 1 | 3 | 5.1 | O=C(NC1CCN(CC2CCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| CHEMBL34053 | 118049 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 404 | 4 | 1 | 3 | 5.1 | O=C(NC1CCN(CC2CCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| 57991713 | 91156 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 5 | 2 | 3 | 5.4 | CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)C2(CCCC2)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398759 | 91156 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 502 | 5 | 2 | 3 | 5.4 | CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)C2(CCCC2)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 73350585 | 91118 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 441 | 5 | 2 | 4 | 3.4 | CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C2(CC2)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398718 | 91118 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 441 | 5 | 2 | 4 | 3.4 | CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C2(CC2)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 71719255 | 86869 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 507 | 5 | 1 | 6 | 3.2 | CNC(=O)c1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(OC)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322884 | 86869 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 507 | 5 | 1 | 6 | 3.2 | CNC(=O)c1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(OC)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 10531239 | 12374 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 449 | 6 | 2 | 2 | 5.0 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1185795 | 12374 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 449 | 6 | 2 | 2 | 5.0 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm0004244 | ||
| CHEMBL433232 | 12374 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 449 | 6 | 2 | 2 | 5.0 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm0004244 | ||
| 10769447 | 11147 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 447 | 4 | 1 | 2 | 6.0 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178601 | 11147 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 447 | 4 | 1 | 2 | 6.0 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL34165 | 11147 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 447 | 4 | 1 | 2 | 6.0 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 118714038 | 114455 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 452 | 7 | 3 | 4 | 3.5 | CC(C)[C@@H](NC(=O)CCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334825 | 114455 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 452 | 7 | 3 | 4 | 3.5 | CC(C)[C@@H](NC(=O)CCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 24758408 | 82768 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 440 | 7 | 1 | 2 | 5.1 | Cc1cccc(CCC(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)c1 | 10.1021/jm300896d | ||
| CHEMBL2180191 | 82768 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 440 | 7 | 1 | 2 | 5.1 | Cc1cccc(CCC(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)c1 | 10.1021/jm300896d | ||
| 44309163 | 102688 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 462 | 11 | 3 | 5 | 3.5 | CNC(=O)[C@H](CCC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL304845 | 102688 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 462 | 11 | 3 | 5 | 3.5 | CNC(=O)[C@H](CCC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| 71718647 | 86870 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 521 | 5 | 0 | 6 | 3.6 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(C(=O)N(C)C)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322885 | 86870 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 521 | 5 | 0 | 6 | 3.6 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(C(=O)N(C)C)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44430836 | 87963 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 522 | 8 | 2 | 8 | 3.5 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(Cl)s3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL234276 | 87963 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 522 | 8 | 2 | 8 | 3.5 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(Cl)s3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453162 | 95241 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 526 | 4 | 1 | 4 | 4.6 | CC1CC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1S(=O)(=O)c1ccccc1Br | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256272 | 95241 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 526 | 4 | 1 | 4 | 4.6 | CC1CC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1S(=O)(=O)c1ccccc1Br | 10.1016/j.bmcl.2007.09.068 | ||
| 71682816 | 91157 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 428 | 6 | 2 | 3 | 4.7 | CC(C)[C@H](CN1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)c1ccccc1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398760 | 91157 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 428 | 6 | 2 | 3 | 4.7 | CC(C)[C@H](CN1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)c1ccccc1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44308819 | 203875 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 10 | 3 | 4 | 4.5 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL68937 | 203875 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 10 | 3 | 4 | 4.5 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.022 | ||
| 24745662 | 167620 | 2 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 484 | 7 | 1 | 5 | 3.4 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2CS(=O)(=O)O)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| 9935062 | 167620 | 2 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 484 | 7 | 1 | 5 | 3.4 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2CS(=O)(=O)O)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| CHEMBL430166 | 167620 | 2 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 484 | 7 | 1 | 5 | 3.4 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2CS(=O)(=O)O)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| 57840512 | 86840 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 464 | 4 | 0 | 5 | 4.3 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)C[C@@H]2C)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322856 | 86840 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 464 | 4 | 0 | 5 | 4.3 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)C[C@@H]2C)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 25233755 | 179313 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 457 | 4 | 1 | 2 | 5.2 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1F | 10.1021/jm801416q | ||
| CHEMBL473532 | 179313 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 457 | 4 | 1 | 2 | 5.2 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1F | 10.1021/jm801416q | ||
| 44308819 | 203875 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 10 | 3 | 4 | 4.5 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.020 | ||
| 44308819 | 203875 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 10 | 3 | 4 | 4.5 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL68937 | 203875 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 10 | 3 | 4 | 4.5 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.020 | ||
| CHEMBL68937 | 203875 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 10 | 3 | 4 | 4.5 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.021 | ||
| 44309124 | 203838 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 520 | 11 | 2 | 5 | 4.5 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)N1CCCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL68692 | 203838 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 520 | 11 | 2 | 5 | 4.5 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)N1CCCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 57888663 | 91131 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 521 | 6 | 3 | 5 | 2.9 | CC(C)[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398731 | 91131 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 521 | 6 | 3 | 5 | 2.9 | CC(C)[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44430718 | 86732 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccccc3F)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232044 | 86732 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccccc3F)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 24758174 | 82812 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 416 | 5 | 1 | 2 | 4.6 | CC(C)[C@@H](NC(=O)c1cccc(F)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180506 | 82812 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 416 | 5 | 1 | 2 | 4.6 | CC(C)[C@@H](NC(=O)c1cccc(F)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44453504 | 95498 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 490 | 8 | 2 | 5 | 4.7 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1cccs1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL257452 | 95498 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 490 | 8 | 2 | 5 | 4.7 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1cccs1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10505512 | 116536 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 498 | 4 | 1 | 3 | 7.1 | O=C(NC1CCN(C/C2=C/CCCCCC2)CC1)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc21 | 10.1021/jm0004244 | ||
| CHEMBL33639 | 116536 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 498 | 4 | 1 | 3 | 7.1 | O=C(NC1CCN(C/C2=C/CCCCCC2)CC1)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc21 | 10.1021/jm0004244 | ||
| 10652533 | 11139 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 603 | 4 | 1 | 2 | 7.5 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178579 | 11139 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 603 | 4 | 1 | 2 | 7.5 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33223 | 11139 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 603 | 4 | 1 | 2 | 7.5 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| 10995329 | 18149 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 563 | 13 | 4 | 4 | 5.5 | O=C(NCCCCO)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| CHEMBL126978 | 18149 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 563 | 13 | 4 | 4 | 5.5 | O=C(NCCCCO)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| 44308997 | 203716 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ncccc2c1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL67803 | 203716 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ncccc2c1 | 10.1016/j.bmcl.2004.02.021 | ||
| 44537841 | 672 | 13 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 672 | 13 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 672 | 13 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 672 | 13 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 672 | 13 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 24758176 | 82816 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 412 | 5 | 1 | 2 | 4.8 | Cc1ccc(C(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)cc1 | 10.1021/jm300896d | ||
| CHEMBL2180510 | 82816 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 412 | 5 | 1 | 2 | 4.8 | Cc1ccc(C(=O)N[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C(C)C)cc1 | 10.1021/jm300896d | ||
| 44430723 | 86812 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 544 | 8 | 2 | 7 | 3.1 | CNc1c(Nc2cc(Br)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232253 | 86812 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 544 | 8 | 2 | 7 | 3.1 | CNc1c(Nc2cc(Br)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453200 | 95639 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.0 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1C(F)(F)F | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258065 | 95639 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.0 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1C(F)(F)F | 10.1016/j.bmcl.2007.09.068 | ||
| 10555351 | 116132 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 586 | 4 | 1 | 3 | 7.3 | O=C(NC1CCN(C/C2=C/CCCCCC2)CC1)C1c2cc(Br)ccc2Oc2ccc(Br)cc21 | 10.1021/jm0004244 | ||
| CHEMBL33580 | 116132 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 586 | 4 | 1 | 3 | 7.3 | O=C(NC1CCN(C/C2=C/CCCCCC2)CC1)C1c2cc(Br)ccc2Oc2ccc(Br)cc21 | 10.1021/jm0004244 | ||
| 73353555 | 91152 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 490 | 6 | 1 | 3 | 5.5 | CO[C@]1(c2ccc(Cl)cc2)CCN(C(=O)[C@H](NC(=O)c2ccc(Cl)cc2)C(C)C)CC1(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398752 | 91152 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 490 | 6 | 1 | 3 | 5.5 | CO[C@]1(c2ccc(Cl)cc2)CCN(C(=O)[C@H](NC(=O)c2ccc(Cl)cc2)C(C)C)CC1(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 44309414 | 104024 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 448 | 10 | 3 | 5 | 3.1 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnnc2ccccc12 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL309338 | 104024 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 448 | 10 | 3 | 5 | 3.1 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnnc2ccccc12 | 10.1016/j.bmcl.2004.02.021 | ||
| 57888812 | 82846 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 412 | 4 | 1 | 2 | 4.9 | CC(C)(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180540 | 82846 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 412 | 4 | 1 | 2 | 4.9 | CC(C)(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 24758045 | 82808 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 392 | 7 | 1 | 2 | 4.6 | CC(C)CCC(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| CHEMBL2180502 | 82808 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 392 | 7 | 1 | 2 | 4.6 | CC(C)CCC(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| 44430713 | 86687 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL231829 | 86687 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44430756 | 87118 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2ccncc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232654 | 87118 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2ccncc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44309327 | 203918 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 446 | 9 | 3 | 5 | 3.0 | NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCC1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL69274 | 203918 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 446 | 9 | 3 | 5 | 3.0 | NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCC1 | 10.1016/j.bmcl.2004.02.021 | ||
| 17753030 | 86982 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 486 | 7 | 2 | 7 | 2.5 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232441 | 86982 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 486 | 7 | 2 | 7 | 2.5 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 10873705 | 99308 | 8 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 431 | 6 | 1 | 5 | 4.8 | O=C(CSc1nc2ccccc2s1)NC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/s0960-894x(01)00176-7 | ||
| CHEMBL282285 | 99308 | 8 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 431 | 6 | 1 | 5 | 4.8 | O=C(CSc1nc2ccccc2s1)NC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/s0960-894x(01)00176-7 | ||
| 44309178 | 103066 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 466 | 10 | 3 | 5 | 3.3 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL307535 | 103066 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 466 | 10 | 3 | 5 | 3.3 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| 57390926 | 67834 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 427 | 7 | 2 | 6 | 2.6 | Cc1noc(C)c1S(=O)(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.09.013 | ||
| CHEMBL1910159 | 67834 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 427 | 7 | 2 | 6 | 2.6 | Cc1noc(C)c1S(=O)(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.09.013 | ||
| 57888925 | 82850 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 426 | 4 | 1 | 2 | 5.2 | Cc1ccccc1C(=O)NC(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)(C)C | 10.1021/jm300896d | ||
| CHEMBL2180544 | 82850 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 426 | 4 | 1 | 2 | 5.2 | Cc1ccccc1C(=O)NC(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)(C)C | 10.1021/jm300896d | ||
| 57889874 | 82823 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 414 | 5 | 1 | 3 | 4.9 | CC(C)C(NC(=O)Oc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180517 | 82823 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 414 | 5 | 1 | 3 | 4.9 | CC(C)C(NC(=O)Oc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44309122 | 102793 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 482 | 11 | 4 | 6 | 3.4 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NO | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL305423 | 102793 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 482 | 11 | 4 | 6 | 3.4 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NO | 10.1016/j.bmcl.2004.02.022 | ||
| 25231300 | 174252 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 419 | 5 | 1 | 2 | 5.0 | CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| CHEMBL454942 | 174252 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 419 | 5 | 1 | 2 | 5.0 | CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| 25231301 | 174342 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 405 | 4 | 1 | 2 | 4.6 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| CHEMBL455162 | 174342 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 405 | 4 | 1 | 2 | 4.6 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| 44430716 | 86730 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 560 | 8 | 2 | 7 | 3.6 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(Br)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232042 | 86730 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 560 | 8 | 2 | 7 | 3.6 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(Br)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 10531632 | 11137 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.7 | CCC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178571 | 11137 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.7 | CCC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33050 | 11137 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.7 | CCC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 10507823 | 11143 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 475 | 6 | 1 | 2 | 6.8 | CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178590 | 11143 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 475 | 6 | 1 | 2 | 6.8 | CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33614 | 11143 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 475 | 6 | 1 | 2 | 6.8 | CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 21071083 | 86857 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 416 | 4 | 0 | 5 | 3.2 | COc1cccc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322872 | 86857 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 416 | 4 | 0 | 5 | 3.2 | COc1cccc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c1 | 10.1016/j.bmcl.2013.01.005 | ||
| 59278314 | 169894 | 22 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 425 | 5 | 1 | 7 | 2.3 | CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| CHEMBL4441094 | 169894 | 22 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 425 | 5 | 1 | 7 | 2.3 | CS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1 | 10.1016/j.bmcl.2018.12.024 | ||
| 24758044 | 82834 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180528 | 82834 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 10049340 | 102616 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 448 | 11 | 3 | 5 | 3.3 | CC(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.021 | ||
| 10049340 | 102616 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 448 | 11 | 3 | 5 | 3.3 | CC(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL304358 | 102616 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 448 | 11 | 3 | 5 | 3.3 | CC(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL304358 | 102616 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 448 | 11 | 3 | 5 | 3.3 | CC(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| 44309105 | 203814 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 468 | 10 | 3 | 5 | 3.1 | NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL68551 | 203814 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 468 | 10 | 3 | 5 | 3.1 | NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| 71460999 | 82852 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 416 | 5 | 3 | 4 | 2.3 | CC(O)C(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180546 | 82852 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 416 | 5 | 3 | 4 | 2.3 | CC(O)C(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 73355055 | 91154 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 427 | 5 | 1 | 3 | 4.5 | CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398757 | 91154 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 427 | 5 | 1 | 3 | 4.5 | CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 25233582 | 190078 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 401 | 5 | 1 | 3 | 4.0 | COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1 | 10.1021/jm801416q | ||
| CHEMBL517290 | 190078 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 401 | 5 | 1 | 3 | 4.0 | COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1 | 10.1021/jm801416q | ||
| 44309213 | 203706 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 478 | 11 | 3 | 6 | 3.1 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccc(OC)cc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL67757 | 203706 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 478 | 11 | 3 | 6 | 3.1 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccc(OC)cc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| 44430720 | 86809 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3cccc(F)c3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232251 | 86809 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3cccc(F)c3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 57888758 | 91132 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 486 | 6 | 3 | 4 | 3.9 | CC(C)[C@@H](NC(=O)c1ccccc1C(=O)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398732 | 91132 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 486 | 6 | 3 | 4 | 3.9 | CC(C)[C@@H](NC(=O)c1ccccc1C(=O)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 11828215 | 114433 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 613 | 12 | 3 | 3 | 7.1 | O=C(NCCc1ccc(F)cc1)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| CHEMBL333422 | 114433 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 613 | 12 | 3 | 3 | 7.1 | O=C(NCCc1ccc(F)cc1)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| 25233753 | 176954 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 439 | 4 | 1 | 2 | 5.0 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1cccc(C(F)(F)F)c1 | 10.1021/jm801416q | ||
| CHEMBL462442 | 176954 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 439 | 4 | 1 | 2 | 5.0 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1cccc(C(F)(F)F)c1 | 10.1021/jm801416q | ||
| 57889099 | 114442 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 449 | 5 | 3 | 3 | 4.1 | CC(C)[C@@H](NC(=O)NC1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334725 | 114442 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 449 | 5 | 3 | 3 | 4.1 | CC(C)[C@@H](NC(=O)NC1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 57889314 | 91145 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 406 | 5 | 2 | 3 | 3.3 | CC(C)[C@@H](NC(=O)C1CC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398745 | 91145 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 406 | 5 | 2 | 3 | 3.3 | CC(C)[C@@H](NC(=O)C1CC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57888900 | 91164 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 521 | 6 | 3 | 5 | 2.9 | CC(C)[C@@H](NC(=O)c1cccc(S(N)(=O)=O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398767 | 91164 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 521 | 6 | 3 | 5 | 2.9 | CC(C)[C@@H](NC(=O)c1cccc(S(N)(=O)=O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44537841 | 672 | 13 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 672 | 13 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 672 | 13 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 672 | 13 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 672 | 13 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889736 | 114444 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334727 | 114444 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 57888785 | 114446 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334815 | 114446 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 57889188 | 114447 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 437 | 6 | 3 | 3 | 3.9 | CC[C@@H](C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334816 | 114447 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 437 | 6 | 3 | 3 | 3.9 | CC[C@@H](C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1021/jm5003167 | ||
| 57991707 | 91122 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398722 | 91122 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 10509339 | 12338 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 631 | 6 | 1 | 2 | 8.3 | CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1185511 | 12338 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 631 | 6 | 1 | 2 | 8.3 | CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL418589 | 12338 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 631 | 6 | 1 | 2 | 8.3 | CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| 10094211 | 90747 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 430 | 6 | 3 | 6 | 2.1 | CNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391794 | 90747 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 430 | 6 | 3 | 6 | 2.1 | CNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| 44537841 | 672 | 13 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 672 | 13 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 672 | 13 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 672 | 13 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 672 | 13 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 10393066 | 104300 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 447 | 6 | 4 | 6 | 2.7 | NC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099948 | 104300 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 447 | 6 | 4 | 6 | 2.7 | NC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| 72945112 | 104313 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 445 | 6 | 4 | 6 | 2.5 | CNC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099961 | 104313 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 445 | 6 | 4 | 6 | 2.5 | CNC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| 44537841 | 672 | 13 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 672 | 13 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 672 | 13 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 672 | 13 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 672 | 13 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57888895 | 91130 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398730 | 91130 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 10676520 | 11140 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 617 | 5 | 1 | 2 | 7.9 | CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178581 | 11140 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 617 | 5 | 1 | 2 | 7.9 | CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33340 | 11140 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 617 | 5 | 1 | 2 | 7.9 | CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| 57889023 | 91162 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 576 | 7 | 4 | 4 | 5.4 | CC(C)[C@@H](NC(=O)c1cccc(-c2ccccc2NC(N)=O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398765 | 91162 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 576 | 7 | 4 | 4 | 5.4 | CC(C)[C@@H](NC(=O)c1cccc(-c2ccccc2NC(N)=O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889764 | 91166 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 457 | 6 | 2 | 4 | 3.6 | CC(C)[C@@H](NC(=O)Cc1ccncc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398769 | 91166 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 457 | 6 | 2 | 4 | 3.6 | CC(C)[C@@H](NC(=O)Cc1ccncc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889843 | 91141 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 394 | 5 | 2 | 3 | 3.3 | CCC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398741 | 91141 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 394 | 5 | 2 | 3 | 3.3 | CCC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 10507823 | 11143 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 475 | 6 | 1 | 2 | 6.8 | CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178590 | 11143 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 475 | 6 | 1 | 2 | 6.8 | CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33614 | 11143 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 475 | 6 | 1 | 2 | 6.8 | CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 73355055 | 91154 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 427 | 5 | 1 | 3 | 4.5 | CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398757 | 91154 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 427 | 5 | 1 | 3 | 4.5 | CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 21070989 | 86860 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86860 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 10652533 | 11139 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 603 | 4 | 1 | 2 | 7.5 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178579 | 11139 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 603 | 4 | 1 | 2 | 7.5 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33223 | 11139 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 603 | 4 | 1 | 2 | 7.5 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 | 10.1021/jm0004244 | ||
| 44431524 | 145257 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 476 | 8 | 2 | 5 | 2.7 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2C(=O)NCCN)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| CHEMBL391302 | 145257 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 476 | 8 | 2 | 5 | 2.7 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2C(=O)NCCN)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| 24758044 | 82834 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2180528 | 82834 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| 24758294 | 82802 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 412 | 6 | 1 | 2 | 4.4 | CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180496 | 82802 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 412 | 6 | 1 | 2 | 4.4 | CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44453359 | 97532 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 408 | 7 | 2 | 4 | 3.0 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270631 | 97532 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 408 | 7 | 2 | 4 | 3.0 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 21070989 | 86860 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86860 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44308902 | 103161 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 453 | 10 | 3 | 4 | 4.5 | CNC(=O)[C@@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.020 | ||
| CHEMBL308243 | 103161 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 453 | 10 | 3 | 4 | 4.5 | CNC(=O)[C@@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.020 | ||
| 57888688 | 82825 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 448 | 7 | 1 | 3 | 4.2 | CC(C)C(NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180519 | 82825 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 448 | 7 | 1 | 3 | 4.2 | CC(C)C(NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 1370410 | 86873 | 11 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 404 | 3 | 0 | 4 | 3.4 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322888 | 86873 | 11 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 404 | 3 | 0 | 4 | 3.4 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| 512282 | 755 | 59 | None | 147 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.037 | ||
| 767 | 755 | 59 | None | 147 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.037 | ||
| CHEMBL232656 | 755 | 59 | None | 147 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.037 | ||
| 10995218 | 16584 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 549 | 12 | 4 | 4 | 5.1 | O=C(NCCCO)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| CHEMBL124127 | 16584 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 549 | 12 | 4 | 4 | 5.1 | O=C(NCCCO)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| 10974378 | 114270 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 664 | 12 | 3 | 4 | 7.4 | O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)NC1CCN(Cc2ccccc2)CC1 | 10.1021/jm0201767 | ||
| CHEMBL333063 | 114270 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 664 | 12 | 3 | 4 | 7.4 | O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)NC1CCN(Cc2ccccc2)CC1 | 10.1021/jm0201767 | ||
| 10255511 | 90764 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 502 | 6 | 2 | 7 | 2.7 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCOCC1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391811 | 90764 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 502 | 6 | 2 | 7 | 2.7 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCOCC1 | 10.1016/j.bmcl.2013.04.047 | ||
| 25254218 | 16153 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 449 | 4 | 1 | 4 | 5.4 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ncnn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL1224120 | 16153 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 449 | 4 | 1 | 4 | 5.4 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ncnn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| 24758172 | 82815 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 412 | 5 | 1 | 2 | 4.8 | Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| CHEMBL2180509 | 82815 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 412 | 5 | 1 | 2 | 4.8 | Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| 24758173 | 82831 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 378 | 6 | 1 | 2 | 4.2 | CC(C)CC(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| CHEMBL2180525 | 82831 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 378 | 6 | 1 | 2 | 4.2 | CC(C)CC(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| 11464915 | 104304 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 442 | 5 | 2 | 5 | 3.4 | O=C1CCc2cccc(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2N1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099952 | 104304 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 442 | 5 | 2 | 5 | 3.4 | O=C1CCc2cccc(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2N1 | 10.1016/j.bmcl.2013.11.062 | ||
| 68817337 | 87329 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 425 | 7 | 2 | 6 | 2.8 | COc1ccc(NC(C)=O)c(OC[C@@H](N)CN2CCC3(CC2)Cc2ccccc2O3)c1 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332939 | 87329 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 425 | 7 | 2 | 6 | 2.8 | COc1ccc(NC(C)=O)c(OC[C@@H](N)CN2CCC3(CC2)Cc2ccccc2O3)c1 | 10.1016/j.bmcl.2012.12.095 | ||
| 44453161 | 95240 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 4 | 1 | 4 | 4.5 | CC1CC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1S(=O)(=O)c1ccccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256271 | 95240 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 4 | 1 | 4 | 4.5 | CC1CC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1S(=O)(=O)c1ccccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 21071096 | 86878 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 416 | 4 | 0 | 5 | 3.2 | COc1ccc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322893 | 86878 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 416 | 4 | 0 | 5 | 3.2 | COc1ccc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc1 | 10.1016/j.bmcl.2013.01.005 | ||
| 57889972 | 82856 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 428 | 6 | 2 | 3 | 4.0 | CC(C)CC(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180550 | 82856 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 428 | 6 | 2 | 3 | 4.0 | CC(C)CC(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 21071106 | 86923 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 400 | 3 | 0 | 4 | 3.5 | Cc1cccc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2323422 | 86923 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 400 | 3 | 0 | 4 | 3.5 | Cc1cccc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c1 | 10.1016/j.bmcl.2013.01.005 | ||
| 71457362 | 82832 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 392 | 7 | 1 | 2 | 4.6 | CC[C@@H](C)[C@@H](NC(=O)CC(C)C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180526 | 82832 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 392 | 7 | 1 | 2 | 4.6 | CC[C@@H](C)[C@@H](NC(=O)CC(C)C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 21071046 | 86831 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cc(N2CCN(C(=O)Cn3nc(N)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322848 | 86831 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 397 | 4 | 1 | 6 | 2.4 | COc1cc(N2CCN(C(=O)Cn3nc(N)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 21070990 | 86851 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 512 | 5 | 0 | 5 | 5.2 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3-c3ccccc3)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322866 | 86851 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 512 | 5 | 0 | 5 | 5.2 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3-c3ccccc3)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 57889407 | 91119 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 449 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](N)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398719 | 91119 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 449 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](N)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44309161 | 204019 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 462 | 9 | 3 | 6 | 2.3 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCOCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL69876 | 204019 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 462 | 9 | 3 | 6 | 2.3 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCOCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 24759081 | 82821 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 426 | 7 | 1 | 2 | 4.8 | CC(C)C(NC(=O)CCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180515 | 82821 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 426 | 7 | 1 | 2 | 4.8 | CC(C)C(NC(=O)CCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44430714 | 86688 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 8 | 2 | 7 | 2.8 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL231830 | 86688 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 8 | 2 | 7 | 2.8 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453503 | 95050 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 490 | 8 | 2 | 5 | 4.7 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1ccsc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL255338 | 95050 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 490 | 8 | 2 | 5 | 4.7 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1ccsc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453164 | 95705 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 492 | 8 | 2 | 5 | 3.9 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1OC(F)(F)F | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258361 | 95705 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 492 | 8 | 2 | 5 | 3.9 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1OC(F)(F)F | 10.1016/j.bmcl.2007.09.068 | ||
| 10555108 | 11135 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 445 | 4 | 1 | 2 | 5.9 | C[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178543 | 11135 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 445 | 4 | 1 | 2 | 5.9 | C[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL32257 | 11135 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 445 | 4 | 1 | 2 | 5.9 | C[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 44309166 | 203787 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 462 | 9 | 3 | 6 | 2.3 | NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCOCC1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL68368 | 203787 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 462 | 9 | 3 | 6 | 2.3 | NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCOCC1 | 10.1016/j.bmcl.2004.02.021 | ||
| 44453195 | 155152 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 496 | 4 | 1 | 4 | 4.8 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC(C)(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL402327 | 155152 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 496 | 4 | 1 | 4 | 4.8 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC(C)(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 24759191 | 82848 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 412 | 5 | 1 | 2 | 4.8 | Cc1ccccc1C(=O)NC(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| CHEMBL2180542 | 82848 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 412 | 5 | 1 | 2 | 4.8 | Cc1ccccc1C(=O)NC(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| 44453400 | 95504 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 460 | 7 | 2 | 4 | 3.8 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL257509 | 95504 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 460 | 7 | 2 | 4 | 3.8 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 11104005 | 117334 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 602 | 12 | 3 | 4 | 6.2 | O=C(NCCN1CCCCC1)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| CHEMBL339752 | 117334 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 602 | 12 | 3 | 4 | 6.2 | O=C(NCCN1CCCCC1)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| 11113940 | 79553 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 509 | 8 | 1 | 6 | 5.9 | CCOc1ccc2nc(SCC(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)sc2c1 | 10.1016/s0960-894x(01)00176-7 | ||
| CHEMBL21143 | 79553 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 509 | 8 | 1 | 6 | 5.9 | CCOc1ccc2nc(SCC(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)sc2c1 | 10.1016/s0960-894x(01)00176-7 | ||
| 25231299 | 189025 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 433 | 6 | 1 | 2 | 5.4 | CCCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| CHEMBL509457 | 189025 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 433 | 6 | 1 | 2 | 5.4 | CCCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| 44453226 | 95710 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 536 | 4 | 1 | 4 | 5.4 | O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258369 | 95710 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 536 | 4 | 1 | 4 | 5.4 | O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 21071108 | 86877 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 400 | 3 | 0 | 4 | 3.5 | Cc1ccc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322892 | 86877 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 400 | 3 | 0 | 4 | 3.5 | Cc1ccc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc1 | 10.1016/j.bmcl.2013.01.005 | ||
| 57840518 | 86836 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 464 | 4 | 0 | 5 | 4.3 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)[C@H](C)C2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322852 | 86836 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 464 | 4 | 0 | 5 | 4.3 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)[C@H](C)C2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 69439557 | 104305 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 440 | 5 | 2 | 5 | 3.4 | O=c1ccc2cccc(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2[nH]1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099953 | 104305 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 440 | 5 | 2 | 5 | 3.4 | O=c1ccc2cccc(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2[nH]1 | 10.1016/j.bmcl.2013.11.062 | ||
| 57888963 | 82853 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 398 | 4 | 2 | 3 | 3.5 | C/C=C(/NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180547 | 82853 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 398 | 4 | 2 | 3 | 3.5 | C/C=C(/NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44453290 | 97393 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 482 | 4 | 1 | 4 | 4.4 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL269956 | 97393 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 482 | 4 | 1 | 4 | 4.4 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10628025 | 11141 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 523 | 6 | 1 | 2 | 7.6 | O=C(NC1CC[N+](Cc2ccccc2)(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| CHEMBL1178588 | 11141 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 523 | 6 | 1 | 2 | 7.6 | O=C(NC1CC[N+](Cc2ccccc2)(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| CHEMBL33586 | 11141 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 523 | 6 | 1 | 2 | 7.6 | O=C(NC1CC[N+](Cc2ccccc2)(CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| 24740170 | 82842 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 433 | 5 | 1 | 3 | 4.1 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180536 | 82842 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 433 | 5 | 1 | 3 | 4.1 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm300896d | ||
| 44431527 | 87958 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 448 | 7 | 1 | 4 | 3.6 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2CC(=O)O)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| CHEMBL234262 | 87958 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 448 | 7 | 1 | 4 | 3.6 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2CC(=O)O)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| 71457361 | 82803 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 426 | 7 | 1 | 2 | 4.8 | CC[C@@H](C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180497 | 82803 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 426 | 7 | 1 | 2 | 4.8 | CC[C@@H](C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44453265 | 95357 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 442 | 7 | 2 | 4 | 3.6 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256821 | 95357 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 442 | 7 | 2 | 4 | 3.6 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10579693 | 11136 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 489 | 7 | 1 | 2 | 7.2 | CCCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178558 | 11136 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 489 | 7 | 1 | 2 | 7.2 | CCCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL32713 | 11136 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 489 | 7 | 1 | 2 | 7.2 | CCCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 57396208 | 67835 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 463 | 9 | 2 | 3 | 4.3 | O=C(NCCCCN1CCC(Oc2ccc(F)cc2)C1)NCc1ccc(Br)cc1 | 10.1016/j.bmcl.2011.09.013 | ||
| CHEMBL1910160 | 67835 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 463 | 9 | 2 | 3 | 4.3 | O=C(NCCCCN1CCC(Oc2ccc(F)cc2)C1)NCc1ccc(Br)cc1 | 10.1016/j.bmcl.2011.09.013 | ||
| 24759740 | 82843 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 364 | 5 | 1 | 2 | 3.8 | CC(C)C(=O)NC(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| CHEMBL2180537 | 82843 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 364 | 5 | 1 | 2 | 3.8 | CC(C)C(=O)NC(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C | 10.1021/jm300896d | ||
| 44453641 | 97908 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 438 | 8 | 2 | 5 | 3.0 | COc1ccc(S(=O)(=O)NCCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL272559 | 97908 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 438 | 8 | 2 | 5 | 3.0 | COc1ccc(S(=O)(=O)NCCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 3497 | 1172 | 25 | None | 2 | 3 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 10.1016/j.bmcl.2018.11.015 | ||
| 5311123 | 1172 | 25 | None | 2 | 3 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL1628706 | 1172 | 25 | None | 2 | 3 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 10.1016/j.bmcl.2018.11.015 | ||
| 44453157 | 155243 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 482 | 4 | 1 | 4 | 4.4 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL402827 | 155243 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 482 | 4 | 1 | 4 | 4.4 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10164 | 871 | 24 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 2.2 | COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1[nH]c(=C2N=CC=N2)c2c1nccc2 | 10.1016/j.bmcl.2018.11.015 | ||
| 135565361 | 871 | 24 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 2.2 | COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1[nH]c(=C2N=CC=N2)c2c1nccc2 | 10.1016/j.bmcl.2018.11.015 | ||
| CHEMBL4444976 | 871 | 24 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 451 | 4 | 1 | 8 | 2.2 | COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1[nH]c(=C2N=CC=N2)c2c1nccc2 | 10.1016/j.bmcl.2018.11.015 | ||
| 118714001 | 114445 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334728 | 114445 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 57889003 | 91126 | 4 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398726 | 91126 | 4 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 21070989 | 86860 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86860 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 57889180 | 114443 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334726 | 114443 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 57889897 | 91137 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 456 | 6 | 2 | 3 | 4.2 | CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398737 | 91137 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 456 | 6 | 2 | 3 | 4.2 | CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 24738063 | 91155 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 419 | 5 | 1 | 3 | 4.1 | CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398758 | 91155 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 419 | 5 | 1 | 3 | 4.1 | CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44537841 | 672 | 13 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 672 | 13 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 672 | 13 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 672 | 13 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 672 | 13 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889979 | 91135 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 443 | 5 | 2 | 4 | 3.6 | CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398735 | 91135 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 443 | 5 | 2 | 4 | 3.6 | CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889121 | 91142 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 408 | 5 | 2 | 3 | 3.6 | CC(C)C(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398742 | 91142 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 408 | 5 | 2 | 3 | 3.6 | CC(C)C(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 57889003 | 91126 | 4 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398726 | 91126 | 4 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889843 | 91141 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 394 | 5 | 2 | 3 | 3.3 | CCC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398741 | 91141 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 394 | 5 | 2 | 3 | 3.3 | CCC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 72945310 | 104293 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 3.3 | CNC(=O)Nc1ccc(OC)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099941 | 104293 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 3.3 | CNC(=O)Nc1ccc(OC)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| 57889121 | 91142 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 408 | 5 | 2 | 3 | 3.6 | CC(C)C(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398742 | 91142 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 408 | 5 | 2 | 3 | 3.6 | CC(C)C(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 57888747 | 91167 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398770 | 91167 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57888938 | 91163 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 477 | 6 | 2 | 4 | 3.1 | CC(C)[C@@H](NC(=O)c1cccc(S(N)(=O)=O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398766 | 91163 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 477 | 6 | 2 | 4 | 3.1 | CC(C)[C@@H](NC(=O)c1cccc(S(N)(=O)=O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57840427 | 86826 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 396 | 4 | 0 | 5 | 3.2 | COc1cc(N2CCN(C(=O)Cn3nc(C)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322843 | 86826 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 396 | 4 | 0 | 5 | 3.2 | COc1cc(N2CCN(C(=O)Cn3nc(C)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 24758171 | 82805 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 426 | 7 | 1 | 2 | 4.8 | CC(C)[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180499 | 82805 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 426 | 7 | 1 | 2 | 4.8 | CC(C)[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 24758856 | 82820 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 412 | 6 | 1 | 2 | 4.4 | CC(C)C(NC(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180514 | 82820 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 412 | 6 | 1 | 2 | 4.4 | CC(C)C(NC(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 10435088 | 90784 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 475 | 8 | 4 | 7 | 1.9 | NCCNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391936 | 90784 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 475 | 8 | 4 | 7 | 1.9 | NCCNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| 44453579 | 155564 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 482 | 4 | 1 | 4 | 4.5 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL404465 | 155564 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 482 | 4 | 1 | 4 | 4.5 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 25233577 | 176750 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 419 | 4 | 1 | 2 | 5.0 | Cc1cc(CN(C)C(=O)[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)ccc1Cl | 10.1021/jm801416q | ||
| CHEMBL460535 | 176750 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 419 | 4 | 1 | 2 | 5.0 | Cc1cc(CN(C)C(=O)[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)ccc1Cl | 10.1021/jm801416q | ||
| 59444242 | 170110 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 414 | 5 | 2 | 3 | 3.6 | CC1(C)CN(C(=O)CCNC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL4444092 | 170110 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 414 | 5 | 2 | 3 | 3.6 | CC1(C)CN(C(=O)CCNC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 44453437 | 160816 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL411477 | 160816 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 44537841 | 672 | 13 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 672 | 13 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 672 | 13 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 672 | 13 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 672 | 13 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 59444197 | 170070 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 420 | 5 | 2 | 3 | 3.7 | CC(CNC(=O)C1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| CHEMBL4443458 | 170070 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 420 | 5 | 2 | 3 | 3.7 | CC(CNC(=O)C1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| 44430755 | 153401 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2cccnc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL397910 | 153401 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 577 | 10 | 2 | 8 | 3.9 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2cccnc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 71717437 | 86867 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 494 | 5 | 1 | 6 | 3.6 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(C(=O)O)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322882 | 86867 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 494 | 5 | 1 | 6 | 3.6 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(C(=O)O)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44453321 | 97462 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 502 | 4 | 1 | 4 | 4.8 | O=S(=O)(c1c(Cl)cccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270254 | 97462 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 502 | 4 | 1 | 4 | 4.8 | O=S(=O)(c1c(Cl)cccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309171 | 204011 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 462 | 12 | 3 | 5 | 3.7 | CC(C)CCC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL69816 | 204011 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 462 | 12 | 3 | 5 | 3.7 | CC(C)CCC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.021 | ||
| 9979012 | 79773 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 411 | 7 | 1 | 5 | 4.4 | O=C(CSc1nc2ccccc2s1)NCC1CCCN(Cc2ccccc2)C1 | 10.1016/s0960-894x(01)00176-7 | ||
| CHEMBL21199 | 79773 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 411 | 7 | 1 | 5 | 4.4 | O=C(CSc1nc2ccccc2s1)NCC1CCCN(Cc2ccccc2)C1 | 10.1016/s0960-894x(01)00176-7 | ||
| 44453198 | 95588 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 516 | 4 | 1 | 4 | 5.2 | CC1(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL257853 | 95588 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 516 | 4 | 1 | 4 | 5.2 | CC1(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309222 | 164041 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 10 | 3 | 5 | 2.9 | CC[C@H](C)[C@H](NC(=O)c1cnc2ccccc2n1)[C@@H](O)C[C@@H](CC(C)C)C(=O)NC | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL420924 | 164041 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 10 | 3 | 5 | 2.9 | CC[C@H](C)[C@H](NC(=O)c1cnc2ccccc2n1)[C@@H](O)C[C@@H](CC(C)C)C(=O)NC | 10.1016/j.bmcl.2004.02.021 | ||
| 57889002 | 82839 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 382 | 5 | 1 | 2 | 4.0 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(F)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180533 | 82839 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 382 | 5 | 1 | 2 | 4.0 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(F)cc2)CC1 | 10.1021/jm300896d | ||
| 59444291 | 174124 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 477 | 6 | 3 | 4 | 3.0 | CC(=O)N[C@@H]1CC[C@@H](C(=O)N[C@H](C)CC(=O)N2CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C2)C1 | nan | ||
| CHEMBL4546558 | 174124 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 477 | 6 | 3 | 4 | 3.0 | CC(=O)N[C@@H]1CC[C@@H](C(=O)N[C@H](C)CC(=O)N2CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C2)C1 | nan | ||
| 44453199 | 95638 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 422 | 7 | 2 | 4 | 3.3 | Cc1ccc(S(=O)(=O)NCCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258064 | 95638 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 422 | 7 | 2 | 4 | 3.3 | Cc1ccc(S(=O)(=O)NCCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453466 | 155625 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 486 | 4 | 1 | 4 | 4.3 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL404757 | 155625 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 486 | 4 | 1 | 4 | 4.3 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453639 | 158840 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 482 | 4 | 1 | 4 | 4.4 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL409498 | 158840 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 482 | 4 | 1 | 4 | 4.4 | Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| 25231302 | 176981 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 435 | 6 | 2 | 3 | 4.0 | O=C([C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1)N(CCO)Cc1ccccc1Cl | 10.1021/jm801416q | ||
| CHEMBL462650 | 176981 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 435 | 6 | 2 | 3 | 4.0 | O=C([C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1)N(CCO)Cc1ccccc1Cl | 10.1021/jm801416q | ||
| 44431528 | 145164 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 541 | 9 | 1 | 7 | 2.5 | COS(=O)(=O)NC(=O)Cc1cc(Cl)ccc1OCC(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2007.03.037 | ||
| CHEMBL391239 | 145164 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 541 | 9 | 1 | 7 | 2.5 | COS(=O)(=O)NC(=O)Cc1cc(Cl)ccc1OCC(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C | 10.1016/j.bmcl.2007.03.037 | ||
| 24758517 | 82764 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 430 | 6 | 1 | 2 | 4.6 | CC(C)[C@@H](NC(=O)Cc1cccc(F)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180187 | 82764 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 430 | 6 | 1 | 2 | 4.6 | CC(C)[C@@H](NC(=O)Cc1cccc(F)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44453501 | 97778 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Br)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL271903 | 97778 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Br)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309244 | 102037 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 516 | 9 | 3 | 5 | 4.7 | CC1(C)CC([C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cnc3ccccc3n2)C(N)=O)CC(C)(C)C1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL302038 | 102037 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 516 | 9 | 3 | 5 | 4.7 | CC1(C)CC([C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cnc3ccccc3n2)C(N)=O)CC(C)(C)C1 | 10.1016/j.bmcl.2004.02.021 | ||
| 24758518 | 82459 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 446 | 6 | 1 | 2 | 5.1 | CC(C)[C@@H](NC(=O)Cc1cccc(Cl)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2177135 | 82459 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 446 | 6 | 1 | 2 | 5.1 | CC(C)[C@@H](NC(=O)Cc1cccc(Cl)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 57889478 | 82799 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 412 | 6 | 1 | 2 | 4.9 | CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180493 | 82799 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 412 | 6 | 1 | 2 | 4.9 | CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 70861827 | 176147 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 433 | 5 | 2 | 4 | 3.6 | CC(C)(CC(=O)N1CCC(O)(c2ccc(C#N)cc2)C(C)(C)C1)NC(=O)c1ccccc1 | nan | ||
| CHEMBL4593102 | 176147 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 433 | 5 | 2 | 4 | 3.6 | CC(C)(CC(=O)N1CCC(O)(c2ccc(C#N)cc2)C(C)(C)C1)NC(=O)c1ccccc1 | nan | ||
| 11037958 | 75942 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 465 | 6 | 1 | 5 | 5.5 | O=C(CSc1nc2ccccc2s1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm300682j | ||
| CHEMBL20532 | 75942 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 465 | 6 | 1 | 5 | 5.5 | O=C(CSc1nc2ccccc2s1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm300682j | ||
| 11037958 | 75942 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 465 | 6 | 1 | 5 | 5.5 | O=C(CSc1nc2ccccc2s1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(01)00176-7 | ||
| CHEMBL20532 | 75942 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 465 | 6 | 1 | 5 | 5.5 | O=C(CSc1nc2ccccc2s1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(01)00176-7 | ||
| 57889003 | 91126 | 4 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398726 | 91126 | 4 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57888690 | 82809 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 376 | 6 | 1 | 2 | 4.0 | CC(C)[C@@H](NC(=O)CC1CC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180503 | 82809 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 376 | 6 | 1 | 2 | 4.0 | CC(C)[C@@H](NC(=O)CC1CC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44309353 | 103377 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | CC(C)(O)CCC(C[C@H](O)[C@H](Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL308473 | 103377 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | CC(C)(O)CCC(C[C@H](O)[C@H](Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| 59444274 | 176118 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 535 | 6 | 3 | 5 | 4.4 | C[C@H](CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 | nan | ||
| CHEMBL4592423 | 176118 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 535 | 6 | 3 | 5 | 4.4 | C[C@H](CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 | nan | ||
| 44453615 | 95135 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Br)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL255797 | 95135 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Br)N1CCC[C@H](N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309128 | 204003 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 422 | 10 | 4 | 6 | 1.2 | NC(=O)[C@H](CCO)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL69735 | 204003 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 422 | 10 | 4 | 6 | 1.2 | NC(=O)[C@H](CCO)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| 57840515 | 86854 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 493 | 6 | 0 | 6 | 3.6 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3CN(C)C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322869 | 86854 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 493 | 6 | 0 | 6 | 3.6 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3CN(C)C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 6918497 | 113403 | 2 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL277930 | 113403 | 2 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL331897 | 113403 | 2 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| 25233578 | 190052 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 419 | 4 | 1 | 2 | 5.2 | CC(c1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| CHEMBL517262 | 190052 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 419 | 4 | 1 | 2 | 5.2 | CC(c1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| 57889613 | 91159 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 432 | 5 | 2 | 3 | 4.3 | CC(C)[C@@H](NC(=O)c1ccc(F)c(O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398762 | 91159 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 432 | 5 | 2 | 3 | 4.3 | CC(C)[C@@H](NC(=O)c1ccc(F)c(O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889023 | 91162 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 576 | 7 | 4 | 4 | 5.4 | CC(C)[C@@H](NC(=O)c1cccc(-c2ccccc2NC(N)=O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398765 | 91162 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 576 | 7 | 4 | 4 | 5.4 | CC(C)[C@@H](NC(=O)c1cccc(-c2ccccc2NC(N)=O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44309318 | 102964 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 460 | 10 | 3 | 5 | 3.4 | NC(=O)[C@H](CC1CCCC1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL306685 | 102964 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 460 | 10 | 3 | 5 | 3.4 | NC(=O)[C@H](CC1CCCC1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| 9889700 | 118562 | 17 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 444 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0004244 | ||
| CHEMBL34166 | 118562 | 17 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 444 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0004244 | ||
| 44431523 | 88033 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 468 | 11 | 4 | 6 | 3.0 | CC(C)(O)CC[C@@H](CN)C[C@H](O)[C@H](Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2007.03.037 | ||
| CHEMBL234606 | 88033 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 468 | 11 | 4 | 6 | 3.0 | CC(C)(O)CC[C@@H](CN)C[C@H](O)[C@H](Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2007.03.037 | ||
| 602123 | 83756 | 55 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccc2ccc3ccc(C=O)nc3c2n1 | 10.1021/jm301121j | ||
| CHEMBL2205803 | 83756 | 55 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccc2ccc3ccc(C=O)nc3c2n1 | 10.1021/jm301121j | ||
| 68962095 | 90752 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 500 | 6 | 2 | 6 | 3.1 | Cc1ccc(C(=O)N2CC[C@H](O)C2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391799 | 90752 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 500 | 6 | 2 | 6 | 3.1 | Cc1ccc(C(=O)N2CC[C@H](O)C2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 | 10.1016/j.bmcl.2013.04.047 | ||
| 57840437 | 86842 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 434 | 4 | 0 | 5 | 3.4 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(F)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322858 | 86842 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 434 | 4 | 0 | 5 | 3.4 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(F)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 71717436 | 86864 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 468 | 4 | 0 | 5 | 4.0 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(F)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322879 | 86864 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 468 | 4 | 0 | 5 | 4.0 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(F)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 10579693 | 11136 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 489 | 7 | 1 | 2 | 7.2 | CCCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178558 | 11136 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 489 | 7 | 1 | 2 | 7.2 | CCCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL32713 | 11136 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 489 | 7 | 1 | 2 | 7.2 | CCCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 44537841 | 672 | 13 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 57889181 | 672 | 13 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 9497 | 672 | 13 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398716 | 672 | 13 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL3334824 | 672 | 13 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1016/j.bmcl.2013.04.079 | ||
| 9894714 | 11955 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 461 | 5 | 1 | 2 | 6.4 | CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1183117 | 11955 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 461 | 5 | 1 | 2 | 6.4 | CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL280751 | 11955 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 461 | 5 | 1 | 2 | 6.4 | CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 52916803 | 170958 | 18 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | 10.6019/CHEMBL5210307 | ||
| CHEMBL4456123 | 170958 | 18 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 451 | 5 | 1 | 7 | 2.8 | CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1 | 10.6019/CHEMBL5210307 | ||
| 44537841 | 672 | 13 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 672 | 13 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 672 | 13 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 672 | 13 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 672 | 13 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57888895 | 91130 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398730 | 91130 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 512282 | 755 | 59 | None | 147 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm801416q | ||
| 767 | 755 | 59 | None | 147 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm801416q | ||
| CHEMBL232656 | 755 | 59 | None | 147 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm801416q | ||
| 71681399 | 91124 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 449 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1N)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398724 | 91124 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 449 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1N)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 10482996 | 104302 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 449 | 6 | 3 | 5 | 3.2 | NC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099950 | 104302 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 449 | 6 | 3 | 5 | 3.2 | NC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| 57889758 | 91138 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 470 | 7 | 2 | 3 | 4.6 | CC(C)[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398738 | 91138 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 470 | 7 | 2 | 3 | 4.6 | CC(C)[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 6918497 | 113403 | 2 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL277930 | 113403 | 2 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL331897 | 113403 | 2 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| 6918497 | 113403 | 2 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL277930 | 113403 | 2 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL331897 | 113403 | 2 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| 11236656 | 86853 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 3.0 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3CN)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322868 | 86853 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 3.0 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3CN)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 24782574 | 179338 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 453 | 4 | 1 | 2 | 5.3 | Cc1cc(C(F)(F)F)ccc1NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| CHEMBL473734 | 179338 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 453 | 4 | 1 | 2 | 5.3 | Cc1cc(C(F)(F)F)ccc1NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| 24758744 | 82801 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 398 | 6 | 1 | 2 | 4.2 | CC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180495 | 82801 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 398 | 6 | 1 | 2 | 4.2 | CC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44430753 | 141998 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 598 | 11 | 3 | 9 | 2.2 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL387608 | 141998 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 598 | 11 | 3 | 9 | 2.2 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCNCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 57840557 | 86847 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 473 | 5 | 1 | 6 | 3.2 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(NC(C)=O)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322862 | 86847 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 473 | 5 | 1 | 6 | 3.2 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(NC(C)=O)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44453292 | 155455 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 448 | 4 | 1 | 4 | 3.8 | Cc1ccccc1S(=O)(=O)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL404033 | 155455 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 448 | 4 | 1 | 4 | 3.8 | Cc1ccccc1S(=O)(=O)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 11072275 | 16765 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 632 | 10 | 3 | 5 | 5.9 | COC(=O)N1CCC(NC(=O)NCC(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm0201767 | ||
| CHEMBL124585 | 16765 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 632 | 10 | 3 | 5 | 5.9 | COC(=O)N1CCC(NC(=O)NCC(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm0201767 | ||
| 9889700 | 118562 | 17 | None | - | 1 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 444 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0004244 | ||
| CHEMBL34166 | 118562 | 17 | None | - | 1 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 444 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0004244 | ||
| 602123 | 83756 | 55 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccc2ccc3ccc(C=O)nc3c2n1 | 10.1021/jm301121j | ||
| CHEMBL2205803 | 83756 | 55 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 236 | 2 | 0 | 4 | 2.4 | O=Cc1ccc2ccc3ccc(C=O)nc3c2n1 | 10.1021/jm301121j | ||
| 77865 | 107259 | 82 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 214 | 0 | 0 | 2 | 3.4 | Clc1cc2cccnc2c2ncccc12 | 10.1021/jm301121j | ||
| CHEMBL317115 | 107259 | 82 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 214 | 0 | 0 | 2 | 3.4 | Clc1cc2cccnc2c2ncccc12 | 10.1021/jm301121j | ||
| 10670301 | 114084 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 430 | 4 | 1 | 3 | 5.8 | O=C(NC1CCN(C/C2=C/CCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| CHEMBL33277 | 114084 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 430 | 4 | 1 | 3 | 5.8 | O=C(NC1CCN(C/C2=C/CCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| 44453469 | 95704 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258360 | 95704 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 44453499 | 155379 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 486 | 4 | 1 | 4 | 4.3 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(F)c(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL403613 | 155379 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 486 | 4 | 1 | 4 | 4.3 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(F)c(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309236 | 203624 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 475 | 10 | 3 | 4 | 3.3 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cncc(Br)c1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL67256 | 203624 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 475 | 10 | 3 | 4 | 3.3 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cncc(Br)c1 | 10.1016/j.bmcl.2004.02.021 | ||
| 11794863 | 118864 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 392 | 7 | 1 | 3 | 5.1 | CCCCCCN1CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1016/j.ejmech.2020.113085 | ||
| CHEMBL34226 | 118864 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 392 | 7 | 1 | 3 | 5.1 | CCCCCCN1CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1016/j.ejmech.2020.113085 | ||
| 11794863 | 118864 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 392 | 7 | 1 | 3 | 5.1 | CCCCCCN1CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL34226 | 118864 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 392 | 7 | 1 | 3 | 5.1 | CCCCCCN1CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 77865 | 107259 | 82 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 214 | 0 | 0 | 2 | 3.4 | Clc1cc2cccnc2c2ncccc12 | 10.1021/jm301121j | ||
| CHEMBL317115 | 107259 | 82 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 214 | 0 | 0 | 2 | 3.4 | Clc1cc2cccnc2c2ncccc12 | 10.1021/jm301121j | ||
| 10793529 | 109727 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 588 | 4 | 1 | 3 | 7.4 | O=C(NC1CCN(CC2CCCCCCC2)CC1)C1c2cc(Br)ccc2Oc2ccc(Br)cc21 | 10.1021/jm0004244 | ||
| CHEMBL32305 | 109727 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 588 | 4 | 1 | 3 | 7.4 | O=C(NC1CCN(CC2CCCCCCC2)CC1)C1c2cc(Br)ccc2Oc2ccc(Br)cc21 | 10.1021/jm0004244 | ||
| 44453197 | 155389 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 482 | 4 | 1 | 4 | 4.5 | CC1(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN(S(=O)(=O)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL403665 | 155389 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 482 | 4 | 1 | 4 | 4.5 | CC1(N2CCC(O)(c3ccc(Cl)cc3)CC2)CCN(S(=O)(=O)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309112 | 203920 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cncc2ccccc12 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL69285 | 203920 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cncc2ccccc12 | 10.1016/j.bmcl.2004.02.021 | ||
| 71719856 | 86868 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 493 | 5 | 1 | 6 | 3.0 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(C(N)=O)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322883 | 86868 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 493 | 5 | 1 | 6 | 3.0 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)cc(C(N)=O)c1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44309313 | 102500 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | CC(C)(O)CCC(C[C@H](O)[C@H](Cc1ccccc1F)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL304053 | 102500 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | CC(C)(O)CCC(C[C@H](O)[C@H](Cc1ccccc1F)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| 57840210 | 86835 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 426 | 5 | 1 | 6 | 2.6 | COc1cc(N2CCN(C(=O)Cn3nc(C(=O)O)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322851 | 86835 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 426 | 5 | 1 | 6 | 2.6 | COc1cc(N2CCN(C(=O)Cn3nc(C(=O)O)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 57889880 | 82855 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 414 | 6 | 2 | 3 | 3.7 | CCCC(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180549 | 82855 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 414 | 6 | 2 | 3 | 3.7 | CCCC(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 24740167 | 82841 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 399 | 5 | 1 | 3 | 3.4 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180535 | 82841 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 399 | 5 | 1 | 3 | 3.4 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 57889006 | 82857 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 446 | 7 | 2 | 4 | 3.7 | CSCCC(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180551 | 82857 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 446 | 7 | 2 | 4 | 3.7 | CSCCC(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 57889003 | 91126 | 4 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398726 | 91126 | 4 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 25233947 | 174249 | 9 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 435 | 6 | 2 | 3 | 4.0 | O=C([C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1)N(CCO)Cc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| CHEMBL454940 | 174249 | 9 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 435 | 6 | 2 | 3 | 4.0 | O=C([C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1)N(CCO)Cc1ccc(Cl)cc1 | 10.1021/jm801416q | ||
| 44453435 | 97573 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc(Cl)ccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270863 | 97573 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc(Cl)ccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 44309407 | 102937 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 476 | 9 | 4 | 6 | 2.5 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1(O)CCCCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL306457 | 102937 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 476 | 9 | 4 | 6 | 2.5 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1(O)CCCCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 57889346 | 82828 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 441 | 7 | 2 | 2 | 4.6 | CC(C)[C@@H](NC(=O)NCCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180522 | 82828 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 441 | 7 | 2 | 2 | 4.6 | CC(C)[C@@H](NC(=O)NCCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 57888953 | 82840 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180534 | 82840 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 24758044 | 82834 | 0 | None | - | 0 | Rabbit | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180528 | 82834 | 0 | None | - | 0 | Rabbit | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44309061 | 163580 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 449 | 11 | 3 | 6 | 1.8 | CN(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL420359 | 163580 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 449 | 11 | 3 | 6 | 1.8 | CN(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.021 | ||
| 69437285 | 104306 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 457 | 5 | 3 | 6 | 2.1 | O=c1[nH]c(=O)c2cccc(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2[nH]1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099954 | 104306 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 457 | 5 | 3 | 6 | 2.1 | O=c1[nH]c(=O)c2cccc(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2[nH]1 | 10.1016/j.bmcl.2013.11.062 | ||
| 68816399 | 104311 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 423 | 5 | 2 | 5 | 2.8 | N[C@H](COc1cccc2ccc(=O)[nH]c12)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099959 | 104311 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 423 | 5 | 2 | 5 | 2.8 | N[C@H](COc1cccc2ccc(=O)[nH]c12)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| 44309219 | 102085 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 512 | 9 | 4 | 6 | 2.8 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1(O)CCC(F)(F)CC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL302320 | 102085 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 512 | 9 | 4 | 6 | 2.8 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1(O)CCC(F)(F)CC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 21071066 | 86874 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 386 | 3 | 0 | 4 | 3.2 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322889 | 86874 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 386 | 3 | 0 | 4 | 3.2 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| 44309077 | 204305 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 549 | 11 | 2 | 6 | 3.6 | CN1CCN(C(=O)C(CCC(C)(C)F)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cnc3ccccc3n2)CC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL71499 | 204305 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 549 | 11 | 2 | 6 | 3.6 | CN1CCN(C(=O)C(CCC(C)(C)F)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cnc3ccccc3n2)CC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 21071098 | 86921 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 431 | 4 | 0 | 6 | 3.1 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2323420 | 86921 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 431 | 4 | 0 | 6 | 3.1 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| 44453528 | 97512 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 414 | 7 | 2 | 5 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccsc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270564 | 97512 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 414 | 7 | 2 | 5 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccsc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 25231481 | 176980 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 385 | 4 | 1 | 2 | 4.3 | Cc1ccc(CN(C)C(=O)[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1 | 10.1021/jm801416q | ||
| CHEMBL462644 | 176980 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 385 | 4 | 1 | 2 | 4.3 | Cc1ccc(CN(C)C(=O)[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1 | 10.1021/jm801416q | ||
| 24758175 | 82773 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 454 | 5 | 1 | 3 | 5.7 | CC(C)[C@@H](NC(=O)c1cc2ccccc2s1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180196 | 82773 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 454 | 5 | 1 | 3 | 5.7 | CC(C)[C@@H](NC(=O)c1cc2ccccc2s1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44453228 | 95369 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 426 | 7 | 2 | 4 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1F | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256888 | 95369 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 426 | 7 | 2 | 4 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1F | 10.1016/j.bmcl.2007.09.068 | ||
| 44309235 | 102086 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1nccc2ccccc12 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL302328 | 102086 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1nccc2ccccc12 | 10.1016/j.bmcl.2004.02.021 | ||
| 44309194 | 203516 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 464 | 11 | 4 | 6 | 2.4 | CC(C)(O)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL66457 | 203516 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 464 | 11 | 4 | 6 | 2.4 | CC(C)(O)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| 25174628 | 130244 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 498 | 5 | 3 | 4 | 4.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)[C@@H](O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679649 | 130244 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 498 | 5 | 3 | 4 | 4.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)[C@@H](O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25174628 | 130244 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 498 | 5 | 3 | 4 | 4.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)[C@@H](O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679649 | 130244 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 498 | 5 | 3 | 4 | 4.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)[C@@H](O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 44453084 | 95239 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 422 | 6 | 2 | 3 | 4.6 | O=C(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256264 | 95239 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 422 | 6 | 2 | 3 | 4.6 | O=C(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2007.09.068 | ||
| 11166434 | 145256 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 434 | 6 | 1 | 4 | 3.7 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2C(=O)O)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| CHEMBL391301 | 145256 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 434 | 6 | 1 | 4 | 3.7 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2C(=O)O)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| 10670301 | 114084 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 430 | 4 | 1 | 3 | 5.8 | O=C(NC1CCN(C/C2=C/CCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| CHEMBL33277 | 114084 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 430 | 4 | 1 | 3 | 5.8 | O=C(NC1CCN(C/C2=C/CCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| 44537841 | 672 | 13 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 672 | 13 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 672 | 13 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 672 | 13 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 672 | 13 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57888785 | 114446 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334815 | 114446 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 465 | 5 | 4 | 4 | 3.0 | CC(C)[C@@H](NC(=O)N[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 57889188 | 114447 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 437 | 6 | 3 | 3 | 3.9 | CC[C@@H](C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334816 | 114447 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 437 | 6 | 3 | 3 | 3.9 | CC[C@@H](C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | 10.1021/jm5003167 | ||
| 118714037 | 114454 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 439 | 6 | 4 | 4 | 2.5 | CC(C)[C@@H](NC(=O)NC[C@@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334823 | 114454 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 439 | 6 | 4 | 4 | 2.5 | CC(C)[C@@H](NC(=O)NC[C@@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 57840302 | 86846 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 441 | 4 | 0 | 6 | 3.1 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(C#N)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322861 | 86846 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 441 | 4 | 0 | 6 | 3.1 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(C#N)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 21070989 | 86860 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86860 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 11397004 | 87327 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 459 | 7 | 2 | 6 | 3.5 | COc1ccc(NC(C)=O)c(OC[C@@H](N)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332937 | 87327 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 459 | 7 | 2 | 6 | 3.5 | COc1ccc(NC(C)=O)c(OC[C@@H](N)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)c1 | 10.1016/j.bmcl.2012.12.095 | ||
| 57889979 | 91135 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 443 | 5 | 2 | 4 | 3.6 | CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398735 | 91135 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 443 | 5 | 2 | 4 | 3.6 | CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57889974 | 91127 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398727 | 91127 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 450 | 5 | 3 | 4 | 3.1 | CC(C)[C@@H](NC(=O)[C@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57888747 | 91167 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398770 | 91167 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 10030344 | 104301 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 431 | 6 | 3 | 5 | 3.0 | NC(=O)Nc1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099949 | 104301 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 431 | 6 | 3 | 5 | 3.0 | NC(=O)Nc1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| 57889484 | 91161 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 532 | 7 | 3 | 3 | 5.7 | CC(C)[C@@H](NC(=O)c1cccc(-c2ccccc2NC(N)=O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398764 | 91161 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 532 | 7 | 3 | 3 | 5.7 | CC(C)[C@@H](NC(=O)c1cccc(-c2ccccc2NC(N)=O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44453584 | 97895 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 484 | 8 | 2 | 4 | 4.7 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL272523 | 97895 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 484 | 8 | 2 | 4 | 4.7 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453557 | 155528 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 451 | 7 | 1 | 4 | 4.2 | N#CC1(c2ccc(Cl)cc2)CCN(CCCNS(=O)(=O)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL404301 | 155528 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 451 | 7 | 1 | 4 | 4.2 | N#CC1(c2ccc(Cl)cc2)CCN(CCCNS(=O)(=O)c2ccccc2Cl)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44309192 | 103156 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 464 | 10 | 4 | 6 | 2.8 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL308209 | 103156 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 464 | 10 | 4 | 6 | 2.8 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| 512282 | 755 | 59 | None | -147 | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.104 | ||
| 767 | 755 | 59 | None | -147 | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232656 | 755 | 59 | None | -147 | 2 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1016/j.bmcl.2007.03.104 | ||
| 44430713 | 86687 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL231829 | 86687 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 3.0 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 57888949 | 82826 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 413 | 5 | 2 | 2 | 4.9 | CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180520 | 82826 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 413 | 5 | 2 | 2 | 4.9 | CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44430745 | 142026 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 11 | 2 | 8 | 3.0 | COCCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL387822 | 142026 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 11 | 2 | 8 | 3.0 | COCCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 10698568 | 11148 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 459 | 5 | 1 | 2 | 6.3 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178613 | 11148 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 459 | 5 | 1 | 2 | 6.3 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL34732 | 11148 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 459 | 5 | 1 | 2 | 6.3 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 9889700 | 118562 | 17 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 444 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| CHEMBL34166 | 118562 | 17 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 444 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| 44537841 | 672 | 13 | None | - | 1 | Dog | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 672 | 13 | None | - | 1 | Dog | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 672 | 13 | None | - | 1 | Dog | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 672 | 13 | None | - | 1 | Dog | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 672 | 13 | None | - | 1 | Dog | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 44430750 | 87227 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 583 | 11 | 2 | 8 | 3.4 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL233042 | 87227 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 583 | 11 | 2 | 8 | 3.4 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN2CCCC2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44309074 | 203821 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 448 | 10 | 3 | 5 | 3.1 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL68581 | 203821 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 448 | 10 | 3 | 5 | 3.1 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| 58778007 | 86922 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 2.6 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2323421 | 86922 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 464 | 4 | 0 | 6 | 2.6 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| 49865900 | 16151 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 448 | 4 | 1 | 3 | 6.0 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCC1c1nccn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL1224118 | 16151 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 448 | 4 | 1 | 3 | 6.0 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCC1c1nccn1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| 10049290 | 203945 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.020 | ||
| 10049290 | 203945 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL69411 | 203945 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.020 | ||
| CHEMBL69411 | 203945 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 447 | 10 | 3 | 4 | 3.7 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2c1 | 10.1016/j.bmcl.2004.02.021 | ||
| 71453837 | 82806 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 440 | 8 | 1 | 2 | 5.2 | CC[C@@H](C)[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180500 | 82806 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 440 | 8 | 1 | 2 | 5.2 | CC[C@@H](C)[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 9894714 | 11955 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 461 | 5 | 1 | 2 | 6.4 | CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1183117 | 11955 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 461 | 5 | 1 | 2 | 6.4 | CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL280751 | 11955 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 461 | 5 | 1 | 2 | 6.4 | CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 11813735 | 118119 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 562 | 12 | 3 | 4 | 5.3 | CN(C)CCNC(=O)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| CHEMBL340797 | 118119 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 562 | 12 | 3 | 4 | 5.3 | CN(C)CCNC(=O)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| 44309185 | 204368 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 454 | 10 | 3 | 5 | 3.9 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL71903 | 204368 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 454 | 10 | 3 | 5 | 3.9 | CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.021 | ||
| 10555551 | 11138 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.6 | C=CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178575 | 11138 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.6 | C=CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33104 | 11138 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.6 | C=CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 71570634 | 87332 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 411 | 6 | 3 | 6 | 2.5 | CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(CC1)Cc1ccccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332942 | 87332 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 411 | 6 | 3 | 6 | 2.5 | CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(CC1)Cc1ccccc1O2 | 10.1016/j.bmcl.2012.12.095 | ||
| 57840380 | 86855 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 507 | 6 | 1 | 6 | 3.2 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3CNC(C)=O)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322870 | 86855 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 507 | 6 | 1 | 6 | 3.2 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3CNC(C)=O)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 25233579 | 176857 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 385 | 4 | 1 | 2 | 4.3 | Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1 | 10.1021/jm801416q | ||
| CHEMBL461590 | 176857 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 385 | 4 | 1 | 2 | 4.3 | Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1 | 10.1021/jm801416q | ||
| 44453363 | 97498 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 458 | 7 | 2 | 4 | 4.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc2ccccc12 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL270433 | 97498 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 458 | 7 | 2 | 4 | 4.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc2ccccc12 | 10.1016/j.bmcl.2007.09.068 | ||
| 49865951 | 16167 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 463 | 4 | 1 | 4 | 5.7 | Cc1nnc([C@H]2CCCN2C(=O)Nc2ccc(C(F)(F)F)cc2)n1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL1224189 | 16167 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 463 | 4 | 1 | 4 | 5.7 | Cc1nnc([C@H]2CCCN2C(=O)Nc2ccc(C(F)(F)F)cc2)n1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.07.082 | ||
| 118714035 | 114452 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 439 | 6 | 4 | 4 | 2.5 | CC(C)[C@@H](NC(=O)NC[C@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334821 | 114452 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 439 | 6 | 4 | 4 | 2.5 | CC(C)[C@@H](NC(=O)NC[C@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 57840482 | 86845 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 542 | 4 | 0 | 5 | 3.8 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(I)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322860 | 86845 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 542 | 4 | 0 | 5 | 3.8 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(I)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44430758 | 142785 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 482 | 6 | 2 | 6 | 3.1 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL389293 | 142785 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 482 | 6 | 2 | 6 | 3.1 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)/C=C/c1ccc(Cl)cc1Nc1c(N)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44309286 | 102307 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 512 | 9 | 4 | 6 | 3.7 | O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CC(C(=O)NO)C1CCC(F)(F)CC1)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL303673 | 102307 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 512 | 9 | 4 | 6 | 3.7 | O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CC(C(=O)NO)C1CCC(F)(F)CC1)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.022 | ||
| 44309143 | 203468 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 481 | 11 | 4 | 6 | 2.9 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NN | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL66159 | 203468 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 481 | 11 | 4 | 6 | 2.9 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NN | 10.1016/j.bmcl.2004.02.022 | ||
| 68956901 | 90762 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 500 | 6 | 2 | 6 | 3.9 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCCCC1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391809 | 90762 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 500 | 6 | 2 | 6 | 3.9 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCCCC1 | 10.1016/j.bmcl.2013.04.047 | ||
| 57889649 | 91133 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 486 | 6 | 3 | 4 | 3.9 | CC(C)[C@@H](NC(=O)c1cccc(C(=O)O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398733 | 91133 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 486 | 6 | 3 | 4 | 3.9 | CC(C)[C@@H](NC(=O)c1cccc(C(=O)O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 69435853 | 104303 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 444 | 5 | 2 | 6 | 2.9 | O=C1COc2cccc(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2N1 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099951 | 104303 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 444 | 5 | 2 | 6 | 2.9 | O=C1COc2cccc(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2N1 | 10.1016/j.bmcl.2013.11.062 | ||
| 73350585 | 91118 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 441 | 5 | 2 | 4 | 3.4 | CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C2(CC2)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398718 | 91118 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 441 | 5 | 2 | 4 | 3.4 | CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C2(CC2)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44537841 | 672 | 13 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 672 | 13 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 672 | 13 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 672 | 13 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 672 | 13 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889291 | 91136 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 443 | 5 | 2 | 4 | 3.6 | CC(C)[C@@H](NC(=O)c1ccncc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398736 | 91136 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 443 | 5 | 2 | 4 | 3.6 | CC(C)[C@@H](NC(=O)c1ccncc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 10368788 | 90749 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 502 | 6 | 3 | 7 | 2.5 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391796 | 90749 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 502 | 6 | 3 | 7 | 2.5 | O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CC[C@@H](O)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| 11764610 | 90759 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 516 | 7 | 2 | 7 | 3.1 | CO[C@H]1CCN(C(=O)c2ccc(O)cc2OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391806 | 90759 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 516 | 7 | 2 | 7 | 3.1 | CO[C@H]1CCN(C(=O)c2ccc(O)cc2OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| 57889883 | 82770 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 444 | 7 | 1 | 2 | 5.0 | CC(C)[C@@H](NC(=O)CCc1ccc(F)cc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180193 | 82770 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 444 | 7 | 1 | 2 | 5.0 | CC(C)[C@@H](NC(=O)CCc1ccc(F)cc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 24758047 | 82807 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 390 | 5 | 1 | 2 | 4.4 | CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180501 | 82807 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 390 | 5 | 1 | 2 | 4.4 | CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 25233580 | 189806 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 389 | 4 | 1 | 2 | 4.1 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1 | 10.1021/jm801416q | ||
| CHEMBL516495 | 189806 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 389 | 4 | 1 | 2 | 4.1 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1 | 10.1021/jm801416q | ||
| 44453502 | 155119 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL402110 | 155119 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 468 | 4 | 1 | 4 | 4.1 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10391877 | 90783 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 517 | 9 | 4 | 7 | 2.1 | CC(=O)NCCNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391935 | 90783 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 517 | 9 | 4 | 7 | 2.1 | CC(=O)NCCNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 | 10.1016/j.bmcl.2013.04.047 | ||
| 11734303 | 168553 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 547 | 9 | 3 | 3 | 6.5 | CC(C)(C)NC(=O)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| CHEMBL435812 | 168553 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 547 | 9 | 3 | 3 | 6.5 | CC(C)(C)NC(=O)NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| 10580015 | 11145 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 515 | 4 | 1 | 2 | 7.3 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178597 | 11145 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 515 | 4 | 1 | 2 | 7.3 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33929 | 11145 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 515 | 4 | 1 | 2 | 7.3 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| 10000888 | 75948 | 3 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 397 | 6 | 1 | 5 | 4.2 | O=C(CSc1nc2ccccc2s1)NC1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(01)00176-7 | ||
| CHEMBL20539 | 75948 | 3 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 397 | 6 | 1 | 5 | 4.2 | O=C(CSc1nc2ccccc2s1)NC1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(01)00176-7 | ||
| 44430732 | 87919 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 514 | 9 | 2 | 7 | 3.4 | CCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL234073 | 87919 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 514 | 9 | 2 | 7 | 3.4 | CCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 25233581 | 176953 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 396 | 4 | 1 | 3 | 3.9 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 | 10.1021/jm801416q | ||
| CHEMBL462441 | 176953 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 396 | 4 | 1 | 3 | 3.9 | CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C#N)cc1 | 10.1021/jm801416q | ||
| 57840522 | 86849 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 504 | 4 | 0 | 5 | 4.6 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C(F)(F)F)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322864 | 86849 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 504 | 4 | 0 | 5 | 4.6 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C(F)(F)F)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 6918497 | 113403 | 2 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL277930 | 113403 | 2 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL331897 | 113403 | 2 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 527 | 5 | 1 | 2 | 7.6 | CC[N+]1(C/C2=C/CCCCCC2)CCC(NC(=O)C2c3cc(Cl)ccc3Oc3ccc(Cl)cc32)CC1 | 10.1021/jm0004244 | ||
| 12425 | 6 | 126 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | 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 | 126 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | 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 | 126 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | 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 | 126 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| 44309364 | 203897 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 494 | 12 | 3 | 5 | 4.0 | CCNC(=O)C(CCC(C)(C)F)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL69123 | 203897 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 494 | 12 | 3 | 5 | 4.0 | CCNC(=O)C(CCC(C)(C)F)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 | 10.1016/j.bmcl.2004.02.022 | ||
| 44430759 | 87119 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 496 | 7 | 2 | 6 | 3.6 | CNc1c(Nc2cc(Cl)ccc2/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232655 | 87119 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 496 | 7 | 2 | 6 | 3.6 | CNc1c(Nc2cc(Cl)ccc2/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 10623381 | 16870 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 448 | 8 | 2 | 3 | 5.3 | NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| CHEMBL125111 | 16870 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 448 | 8 | 2 | 3 | 5.3 | NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm0201767 | ||
| 25174463 | 130242 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 422 | 4 | 3 | 4 | 2.5 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CO)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679647 | 130242 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 422 | 4 | 3 | 4 | 2.5 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CO)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25174463 | 130242 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 422 | 4 | 3 | 4 | 2.5 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CO)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679647 | 130242 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 422 | 4 | 3 | 4 | 2.5 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CO)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 21070984 | 86862 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 478 | 5 | 0 | 5 | 4.7 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(Cl)c(OC(C)C)c2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322877 | 86862 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 478 | 5 | 0 | 5 | 4.7 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(Cl)c(OC(C)C)c2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| 24758044 | 82834 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2180528 | 82834 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 4.5 | CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44430715 | 144491 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 516 | 8 | 2 | 7 | 3.5 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(Cl)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL390706 | 144491 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 516 | 8 | 2 | 7 | 3.5 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(Cl)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453402 | 95544 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc(Cl)cc(Cl)c1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL257698 | 95544 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc(Cl)cc(Cl)c1 | 10.1016/j.bmcl.2007.09.068 | ||
| 11072063 | 16573 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 597 | 11 | 3 | 4 | 7.2 | COc1ccc(NC(=O)NCC(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)(c2ccccc2)c2ccccc2)cc1 | 10.1021/jm0201767 | ||
| CHEMBL124084 | 16573 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 597 | 11 | 3 | 4 | 7.2 | COc1ccc(NC(=O)NCC(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)(c2ccccc2)c2ccccc2)cc1 | 10.1021/jm0201767 | ||
| 59444266 | 174680 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 477 | 5 | 2 | 4 | 4.4 | CC(C)(CC(=O)N1CCC(O)(c2ncc(Cl)cc2Cl)C(C)(C)C1)NC(=O)c1ccccc1 | nan | ||
| CHEMBL4559773 | 174680 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 477 | 5 | 2 | 4 | 4.4 | CC(C)(CC(=O)N1CCC(O)(c2ncc(Cl)cc2Cl)C(C)(C)C1)NC(=O)c1ccccc1 | nan | ||
| 68818964 | 104310 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 427 | 5 | 2 | 6 | 2.3 | N[C@H](COc1cccc2c1NC(=O)CO2)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| CHEMBL3099958 | 104310 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 427 | 5 | 2 | 6 | 2.3 | N[C@H](COc1cccc2c1NC(=O)CO2)CN1CCC2(CC1)Cc1cc(F)ccc1O2 | 10.1016/j.bmcl.2013.11.062 | ||
| 12425 | 6 | 126 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | 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 | 126 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | 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 | 126 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | 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 | 126 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 180 | 0 | 0 | 2 | 2.8 | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1 | 10.1021/jm301121j | ||
| 12112109 | 145162 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 491 | 8 | 3 | 5 | 3.1 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2NC(=O)NCCN)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| CHEMBL391238 | 145162 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 491 | 8 | 3 | 5 | 3.1 | C[C@H]1CN(C(=O)COc2ccc(Cl)cc2NC(=O)NCCN)[C@H](C)CN1Cc1ccc(F)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| 57840435 | 86827 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 424 | 5 | 0 | 5 | 4.0 | COc1cc(N2CCN(C(=O)Cn3nc(C(C)C)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322844 | 86827 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 424 | 5 | 0 | 5 | 4.0 | COc1cc(N2CCN(C(=O)Cn3nc(C(C)C)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 58778003 | 86843 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 494 | 4 | 0 | 5 | 4.0 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Br)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322859 | 86843 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 494 | 4 | 0 | 5 | 4.0 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Br)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 24758295 | 82811 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 418 | 6 | 1 | 2 | 5.2 | CC(C)[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180505 | 82811 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 418 | 6 | 1 | 2 | 5.2 | CC(C)[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44309312 | 203755 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 460 | 9 | 3 | 5 | 3.4 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL68145 | 203755 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 460 | 9 | 3 | 5 | 3.4 | NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCC1 | 10.1016/j.bmcl.2004.02.022 | ||
| 44309337 | 203937 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 460 | 9 | 3 | 5 | 3.4 | NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCC1 | 10.1016/j.bmcl.2004.02.021 | ||
| CHEMBL69375 | 203937 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 460 | 9 | 3 | 5 | 3.4 | NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCC1 | 10.1016/j.bmcl.2004.02.021 | ||
| 71680936 | 91150 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 563 | 8 | 3 | 6 | 3.2 | CC(C)[C@@H](NC(=O)C1CCCC1(O)CCN1CCOCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398750 | 91150 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 563 | 8 | 3 | 6 | 3.2 | CC(C)[C@@H](NC(=O)C1CCCC1(O)CCN1CCOCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 10254761 | 90751 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 484 | 6 | 2 | 6 | 2.6 | Cc1ccc(C(=O)N2CC[C@H](O)C2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(F)ccc2O3)c1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391798 | 90751 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 484 | 6 | 2 | 6 | 2.6 | Cc1ccc(C(=O)N2CC[C@H](O)C2)c(OC[C@@H](O)CN2CCC3(CC2)Cc2cc(F)ccc2O3)c1 | 10.1016/j.bmcl.2013.04.047 | ||
| 57889649 | 91133 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 486 | 6 | 3 | 4 | 3.9 | CC(C)[C@@H](NC(=O)c1cccc(C(=O)O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398733 | 91133 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 486 | 6 | 3 | 4 | 3.9 | CC(C)[C@@H](NC(=O)c1cccc(C(=O)O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 24759420 | 82819 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 448 | 5 | 1 | 2 | 5.7 | CC(C)C(NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180513 | 82819 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 448 | 5 | 1 | 2 | 5.7 | CC(C)C(NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44453403 | 95107 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1c(Cl)cccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL255629 | 95107 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.3 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1c(Cl)cccc1Cl | 10.1016/j.bmcl.2007.09.068 | ||
| 44430736 | 153450 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 576 | 10 | 2 | 7 | 4.5 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2ccccc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL397956 | 153450 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 576 | 10 | 2 | 7 | 4.5 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCc2ccccc2)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453263 | 155617 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 442 | 7 | 2 | 4 | 3.6 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL404732 | 155617 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 442 | 7 | 2 | 4 | 3.6 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10695296 | 99815 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 460 | 4 | 1 | 3 | 6.6 | O=C(NC1CCN(CC2CCCCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1016/j.ejmech.2020.113085 | ||
| CHEMBL285703 | 99815 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 460 | 4 | 1 | 3 | 6.6 | O=C(NC1CCN(CC2CCCCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1016/j.ejmech.2020.113085 | ||
| 10816699 | 11144 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 433 | 6 | 1 | 1 | 5.9 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178593 | 11144 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 433 | 6 | 1 | 1 | 5.9 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33761 | 11144 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 433 | 6 | 1 | 1 | 5.9 | C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm0004244 | ||
| 10695296 | 99815 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 460 | 4 | 1 | 3 | 6.6 | O=C(NC1CCN(CC2CCCCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| CHEMBL285703 | 99815 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 460 | 4 | 1 | 3 | 6.6 | O=C(NC1CCN(CC2CCCCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 | 10.1021/jm0004244 | ||
| 44309091 | 203718 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 439 | 10 | 3 | 4 | 4.2 | CC(C)C[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1)C(N)=O | 10.1016/j.bmcl.2004.02.020 | ||
| CHEMBL67809 | 203718 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 439 | 10 | 3 | 4 | 4.2 | CC(C)C[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2c1)C(N)=O | 10.1016/j.bmcl.2004.02.020 | ||
| 59444207 | 171814 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 470 | 7 | 2 | 3 | 4.4 | CC(C)[C@@H](CNC(=O)Cc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| CHEMBL4468705 | 171814 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 470 | 7 | 2 | 3 | 4.4 | CC(C)[C@@H](CNC(=O)Cc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| 49865901 | 16154 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 463 | 4 | 1 | 4 | 5.7 | Cc1nc([C@H]2CCCN2C(=O)Nc2ccc(C(F)(F)F)cc2)n(Cc2ccc(Cl)cc2)n1 | 10.1016/j.bmcl.2010.07.082 | ||
| CHEMBL1224121 | 16154 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 463 | 4 | 1 | 4 | 5.7 | Cc1nc([C@H]2CCCN2C(=O)Nc2ccc(C(F)(F)F)cc2)n(Cc2ccc(Cl)cc2)n1 | 10.1016/j.bmcl.2010.07.082 | ||
| 59474969 | 130253 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 482 | 4 | 2 | 3 | 5.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@@]2(C)NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679658 | 130253 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 482 | 4 | 2 | 3 | 5.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@@]2(C)NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 59474969 | 130253 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 482 | 4 | 2 | 3 | 5.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@@]2(C)NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679658 | 130253 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 482 | 4 | 2 | 3 | 5.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@@]2(C)NC(=O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 24758745 | 82804 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 412 | 7 | 1 | 2 | 4.6 | CC[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180498 | 82804 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 412 | 7 | 1 | 2 | 4.6 | CC[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44309245 | 203421 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 556 | 13 | 3 | 5 | 5.2 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL65784 | 203421 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 556 | 13 | 3 | 5 | 5.2 | CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NCc1ccccc1 | 10.1016/j.bmcl.2004.02.022 | ||
| 57888886 | 82835 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 444 | 6 | 2 | 4 | 4.1 | CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180529 | 82835 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 444 | 6 | 2 | 4 | 4.1 | CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 25174629 | 130243 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 498 | 5 | 3 | 4 | 4.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)[C@H](O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679648 | 130243 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 498 | 5 | 3 | 4 | 4.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)[C@H](O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25174629 | 130243 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 498 | 5 | 3 | 4 | 4.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)[C@H](O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679648 | 130243 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 498 | 5 | 3 | 4 | 4.2 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)[C@H](O)c2ccccc2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 9999626 | 88036 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 376 | 5 | 0 | 3 | 3.6 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| CHEMBL234622 | 88036 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 376 | 5 | 0 | 3 | 3.6 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1 | 10.1016/j.bmcl.2007.03.037 | ||
| 57889944 | 82849 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 426 | 6 | 1 | 2 | 5.2 | Cc1ccccc1C(=O)NC(CC(C)C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180543 | 82849 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 426 | 6 | 1 | 2 | 5.2 | Cc1ccccc1C(=O)NC(CC(C)C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 68963698 | 90760 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 543 | 7 | 3 | 7 | 2.6 | CC(=O)N[C@H]1CCN(C(=O)c2ccc(O)cc2OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| CHEMBL2391807 | 90760 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 543 | 7 | 3 | 7 | 2.6 | CC(=O)N[C@H]1CCN(C(=O)c2ccc(O)cc2OC[C@@H](O)CN2CCC3(CC2)Cc2cc(Cl)ccc2O3)C1 | 10.1016/j.bmcl.2013.04.047 | ||
| 44453467 | 95703 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 502 | 4 | 1 | 4 | 4.8 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)c(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258359 | 95703 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 502 | 4 | 1 | 4 | 4.8 | O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)c(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 10985078 | 114712 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 635 | 10 | 3 | 3 | 8.2 | O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)Nc1ccc(C(F)(F)F)cc1 | 10.1021/jm0201767 | ||
| CHEMBL333865 | 114712 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 635 | 10 | 3 | 3 | 8.2 | O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)Nc1ccc(C(F)(F)F)cc1 | 10.1021/jm0201767 | ||
| 57889635 | 114450 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 435 | 4 | 2 | 3 | 3.6 | CC(C)[C@@H](NC(=O)N1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| CHEMBL3334819 | 114450 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 435 | 4 | 2 | 3 | 3.6 | CC(C)[C@@H](NC(=O)N1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1021/jm5003167 | ||
| 68818375 | 87328 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 443 | 7 | 2 | 6 | 3.0 | COc1ccc(NC(C)=O)c(OC[C@@H](N)CN2CCC3(CC2)Cc2cc(F)ccc2O3)c1 | 10.1016/j.bmcl.2012.12.095 | ||
| CHEMBL2332938 | 87328 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 443 | 7 | 2 | 6 | 3.0 | COc1ccc(NC(C)=O)c(OC[C@@H](N)CN2CCC3(CC2)Cc2cc(F)ccc2O3)c1 | 10.1016/j.bmcl.2012.12.095 | ||
| 44309397 | 203786 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 466 | 11 | 3 | 5 | 3.4 | CC(C)(F)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| CHEMBL68366 | 203786 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 466 | 11 | 3 | 5 | 3.4 | CC(C)(F)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O | 10.1016/j.bmcl.2004.02.022 | ||
| 44537841 | 672 | 13 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57889181 | 672 | 13 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 9497 | 672 | 13 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL2398716 | 672 | 13 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| CHEMBL3334824 | 672 | 13 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 10.1021/jm5003167 | ||
| 57888707 | 91165 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 413 | 6 | 1 | 3 | 3.8 | CC(C)[C@@H](NC(=O)Cc1ccncc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398768 | 91165 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 413 | 6 | 1 | 3 | 3.8 | CC(C)[C@@H](NC(=O)Cc1ccncc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.04.079 | ||
| 10555551 | 11138 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.6 | C=CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL1178575 | 11138 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.6 | C=CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| CHEMBL33104 | 11138 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 473 | 6 | 1 | 2 | 6.6 | C=CC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 | 10.1021/jm0004244 | ||
| 57888900 | 91164 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 521 | 6 | 3 | 5 | 2.9 | CC(C)[C@@H](NC(=O)c1cccc(S(N)(=O)=O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398767 | 91164 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 521 | 6 | 3 | 5 | 2.9 | CC(C)[C@@H](NC(=O)c1cccc(S(N)(=O)=O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 57888966 | 91168 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| CHEMBL2398771 | 91168 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 476 | 5 | 2 | 3 | 4.9 | CC(C)[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | 10.1016/j.bmcl.2013.04.079 | ||
| 44430725 | 167739 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 480 | 8 | 2 | 7 | 2.6 | CNc1c(Nc2cc(C)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL430356 | 167739 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 480 | 8 | 2 | 7 | 2.6 | CNc1c(Nc2cc(C)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 25022507 | 155401 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Br)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL403728 | 155401 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 512 | 4 | 1 | 4 | 4.2 | O=S(=O)(c1ccccc1Br)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453361 | 167299 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 456 | 7 | 2 | 4 | 4.0 | Cc1cccc(Cl)c1S(=O)(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL429419 | 167299 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 456 | 7 | 2 | 4 | 4.0 | Cc1cccc(Cl)c1S(=O)(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 21070989 | 86860 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322875 | 86860 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 450 | 4 | 0 | 5 | 3.9 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44453165 | 95706 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 492 | 8 | 2 | 5 | 3.9 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258362 | 95706 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 492 | 8 | 2 | 5 | 3.9 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 44453229 | 95370 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 426 | 7 | 2 | 4 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL256889 | 95370 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 426 | 7 | 2 | 4 | 3.1 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 57840460 | 86839 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 464 | 4 | 0 | 5 | 4.3 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)C[C@H]2C)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322855 | 86839 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 464 | 4 | 0 | 5 | 4.3 | COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)C[C@H]2C)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44430722 | 86811 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 466 | 8 | 2 | 7 | 2.3 | CNc1c(Nc2ccccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232252 | 86811 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 466 | 8 | 2 | 7 | 2.3 | CNc1c(Nc2ccccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 1370410 | 86873 | 11 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 404 | 3 | 0 | 4 | 3.4 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322888 | 86873 | 11 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 404 | 3 | 0 | 4 | 3.4 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| 25174306 | 130240 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 503 | 6 | 2 | 4 | 4.3 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CCN2CCCCC2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679645 | 130240 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 503 | 6 | 2 | 4 | 4.3 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CCN2CCCCC2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 25174306 | 130240 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 503 | 6 | 2 | 4 | 4.3 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CCN2CCCCC2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| CHEMBL3679645 | 130240 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 503 | 6 | 2 | 4 | 4.3 | CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)CCN2CCCCC2)CC[C@]1(O)c1ccc(Cl)cc1 | nan | ||
| 57889234 | 82836 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 398 | 5 | 2 | 3 | 3.1 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(F)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180530 | 82836 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 398 | 5 | 2 | 3 | 3.1 | CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCC(O)(c2ccc(F)cc2)CC1 | 10.1021/jm300896d | ||
| 44453167 | 95707 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.0 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(C(F)(F)F)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258363 | 95707 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 476 | 7 | 2 | 4 | 4.0 | O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(C(F)(F)F)cc1 | 10.1016/j.bmcl.2007.09.068 | ||
| 57991690 | 82822 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 440 | 8 | 1 | 2 | 5.2 | CC(C)[C@@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| CHEMBL2180516 | 82822 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 440 | 8 | 1 | 2 | 5.2 | CC(C)[C@@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 | 10.1021/jm300896d | ||
| 44430746 | 87088 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 530 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCO)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232638 | 87088 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 530 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCO)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44430748 | 87192 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 529 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232837 | 87192 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 529 | 10 | 3 | 8 | 2.3 | C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCCN)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 57840315 | 86832 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 412 | 5 | 1 | 6 | 2.3 | COc1cc(N2CCN(C(=O)Cn3nc(CO)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322849 | 86832 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 412 | 5 | 1 | 6 | 2.3 | COc1cc(N2CCN(C(=O)Cn3nc(CO)c(Cl)c3C)CC2)ccc1Cl | 10.1016/j.bmcl.2013.01.005 | ||
| 44430717 | 86731 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 518 | 8 | 2 | 7 | 3.1 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)c(F)c3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| CHEMBL232043 | 86731 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 518 | 8 | 2 | 7 | 3.1 | CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)c(F)c3)C[C@H]2C)c(=O)c1=O | 10.1016/j.bmcl.2007.03.104 | ||
| 44453225 | 95709 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 440 | 4 | 1 | 5 | 3.5 | O=S(=O)(c1cccs1)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| CHEMBL258368 | 95709 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 440 | 4 | 1 | 5 | 3.5 | O=S(=O)(c1cccs1)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.09.068 | ||
| 21071094 | 86875 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 420 | 3 | 0 | 4 | 3.9 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2322890 | 86875 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 420 | 3 | 0 | 4 | 3.9 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| 21071099 | 86919 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 454 | 3 | 0 | 4 | 4.2 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| CHEMBL2323419 | 86919 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 454 | 3 | 0 | 4 | 4.2 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2013.01.005 | ||
| 59444200 | 173167 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 514 | 7 | 2 | 5 | 4.6 | CCOC(=O)c1cc(C2(O)CCN(C(=O)CC(C)(C)NC(=O)c3ccccc3)CC2(C)C)ccc1Cl | nan | ||
| CHEMBL4522473 | 173167 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 514 | 7 | 2 | 5 | 4.6 | CCOC(=O)c1cc(C2(O)CCN(C(=O)CC(C)(C)NC(=O)c3ccccc3)CC2(C)C)ccc1Cl | nan | ||
| 25176401 | 130238 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 422 | 3 | 2 | 4 | 3.7 | COC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| CHEMBL3679643 | 130238 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 422 | 3 | 2 | 4 | 3.7 | COC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| 25176401 | 130238 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 422 | 3 | 2 | 4 | 3.7 | COC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| CHEMBL3679643 | 130238 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 422 | 3 | 2 | 4 | 3.7 | COC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| 512282 | 755 | 59 | None | 147 | 2 | Human | 9.0 | pKd | = | 9 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm300682j | ||
| 767 | 755 | 59 | None | 147 | 2 | Human | 9.0 | pKd | = | 9 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm300682j | ||
| CHEMBL232656 | 755 | 59 | None | 147 | 2 | Human | 9.0 | pKd | = | 9 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm300682j | ||
| 512282 | 755 | 59 | None | -147 | 2 | Mouse | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm300682j | ||
| 767 | 755 | 59 | None | -147 | 2 | Mouse | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm300682j | ||
| CHEMBL232656 | 755 | 59 | None | -147 | 2 | Mouse | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm300682j | ||
| 25109291 | 191362 | 10 | None | 56 | 8 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.1021/jm8007618 | ||
| CHEMBL519240 | 191362 | 10 | None | 56 | 8 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 327 | 1 | 2 | 6 | 1.7 | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 | 10.1021/jm8007618 | ||
| 57889392 | 127036 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 423 | 5 | 3 | 3 | 3.5 | CC(C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | nan | ||
| CHEMBL3656279 | 127036 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 423 | 5 | 3 | 3 | 3.5 | CC(C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | nan | ||
| 57889423 | 91147 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 434 | 5 | 2 | 3 | 4.1 | CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| CHEMBL2398747 | 91147 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 434 | 5 | 2 | 3 | 4.1 | CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 | nan | ||
| 512282 | 755 | 59 | None | 147 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm300682j | ||
| 767 | 755 | 59 | None | 147 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm300682j | ||
| CHEMBL232656 | 755 | 59 | None | 147 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10.1021/jm300682j | ||
| 10371087 | 82539 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 584 | 6 | 2 | 5 | 6.0 | NCC1CCCN(C(=O)c2ccc3c(c2)C(C(=O)NC2CCN(C/C4=C/CCCCCCC4)CC2)c2ccccc2O3)C1 | 10.1021/jm300682j | ||
| CHEMBL2178571 | 82539 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 584 | 6 | 2 | 5 | 6.0 | NCC1CCCN(C(=O)c2ccc3c(c2)C(C(=O)NC2CCN(C/C4=C/CCCCCCC4)CC2)c2ccccc2O3)C1 | 10.1021/jm300682j | ||
| 10111333 | 175443 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4577133 | 175443 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 71461438 | 83947 | 0 | None | -100 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1cnnc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207082 | 83947 | 0 | None | -100 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1cnnc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71214725 | 83948 | 0 | None | -25 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1cncn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207083 | 83948 | 0 | None | -25 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1cncn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71461439 | 83952 | 0 | None | -10 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 382 | 5 | 1 | 5 | 3.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207087 | 83952 | 0 | None | -10 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 382 | 5 | 1 | 5 | 3.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71452488 | 83958 | 0 | None | -19 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 388 | 5 | 1 | 6 | 3.5 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207093 | 83958 | 0 | None | -19 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 388 | 5 | 1 | 6 | 3.5 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71461440 | 83962 | 0 | None | -31 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 400 | 5 | 1 | 5 | 3.6 | O=S(=O)(Nc1cc(F)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207097 | 83962 | 0 | None | -31 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 400 | 5 | 1 | 5 | 3.6 | O=S(=O)(Nc1cc(F)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 15604497 | 83964 | 0 | None | -39 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 432 | 5 | 1 | 7 | 3.0 | Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207099 | 83964 | 0 | None | -39 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 432 | 5 | 1 | 7 | 3.0 | Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 10809142 | 35338 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 369 | 6 | 1 | 4 | 4.1 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccnc1 | 10.1021/jm990316l | ||
| CHEMBL143741 | 35338 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 369 | 6 | 1 | 4 | 4.1 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccnc1 | 10.1021/jm990316l | ||
| 68557448 | 170197 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 417 | 5 | 1 | 5 | 4.2 | COc1cccc(N2CCC(C(O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c1 | nan | ||
| CHEMBL4445508 | 170197 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 417 | 5 | 1 | 5 | 4.2 | COc1cccc(N2CCC(C(O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c1 | nan | ||
| 10788075 | 119387 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 416 | 7 | 1 | 4 | 5.3 | N#CC(CCCN1CCC(O)(c2cccs2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL344751 | 119387 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 416 | 7 | 1 | 4 | 5.3 | N#CC(CCCN1CCC(O)(c2cccs2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 10111333 | 175443 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4577133 | 175443 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155568814 | 176041 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 403 | 5 | 1 | 5 | 3.8 | COc1cc(N2CCC(C(O)Cn3ccc(C(F)(F)F)n3)CC2)ccc1Cl | nan | ||
| CHEMBL4590794 | 176041 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 403 | 5 | 1 | 5 | 3.8 | COc1cc(N2CCC(C(O)Cn3ccc(C(F)(F)F)n3)CC2)ccc1Cl | nan | ||
| 10599794 | 34184 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 453 | 8 | 1 | 4 | 5.3 | CN(C)c1ccc(C2(O)CCN(CCCC(C#N)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1021/jm990316l | ||
| CHEMBL142628 | 34184 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 453 | 8 | 1 | 4 | 5.3 | CN(C)c1ccc(C2(O)CCN(CCCC(C#N)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1021/jm990316l | ||
| 10526132 | 72448 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 419 | 7 | 1 | 2 | 6.2 | OC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL142004 | 72448 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 419 | 7 | 1 | 2 | 6.2 | OC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL198935 | 72448 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 419 | 7 | 1 | 2 | 6.2 | OC1(c2ccc(Cl)cc2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm990316l | ||
| 44362079 | 119146 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 422 | 5 | 1 | 3 | 5.2 | N#CC1(CCCN2CCC(O)(c3ccccc3)CC2)c2ccccc2Cc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL343032 | 119146 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 422 | 5 | 1 | 3 | 5.2 | N#CC1(CCCN2CCC(O)(c3ccccc3)CC2)c2ccccc2Cc2ccccc21 | 10.1021/jm990316l | ||
| 24863547 | 174691 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 484 | 5 | 1 | 5 | 5.4 | COc1cc(N2CCC(C(N)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c(Cl)cc1Cl | nan | ||
| CHEMBL4559982 | 174691 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 484 | 5 | 1 | 5 | 5.4 | COc1cc(N2CCC(C(N)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c(Cl)cc1Cl | nan | ||
| 10811393 | 34856 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 407 | 7 | 1 | 4 | 4.8 | N#CCC(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL143194 | 34856 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 407 | 7 | 1 | 4 | 4.8 | N#CCC(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| 24863719 | 175848 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 465 | 5 | 1 | 5 | 5.2 | COc1cc(N2CCC(C)(C(O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | nan | ||
| CHEMBL4586066 | 175848 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 465 | 5 | 1 | 5 | 5.2 | COc1cc(N2CCC(C)(C(O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl | nan | ||
| 71214976 | 83967 | 0 | None | -100 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 450 | 5 | 1 | 5 | 4.5 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207101 | 83967 | 0 | None | -100 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 450 | 5 | 1 | 5 | 4.5 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 10547456 | 119560 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 374 | 6 | 1 | 4 | 4.8 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccs1 | 10.1021/jm990316l | ||
| CHEMBL346205 | 119560 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 374 | 6 | 1 | 4 | 4.8 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccs1 | 10.1021/jm990316l | ||
| 10503785 | 121093 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 451 | 7 | 1 | 4 | 5.3 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)N1CCCCC1 | 10.1021/jm990316l | ||
| CHEMBL357434 | 121093 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 451 | 7 | 1 | 4 | 5.3 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)N1CCCCC1 | 10.1021/jm990316l | ||
| 10528677 | 168508 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 478 | 7 | 1 | 3 | 6.6 | N#CC(CCCN1CCC(O)(c2cc(Cl)cc(Cl)c2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL435480 | 168508 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 478 | 7 | 1 | 3 | 6.6 | N#CC(CCCN1CCC(O)(c2cc(Cl)cc(Cl)c2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 10812461 | 78818 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 428 | 7 | 1 | 3 | 5.4 | N#CC(CCCN1CCC(O)(c2ccc(F)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL2112832 | 78818 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 428 | 7 | 1 | 3 | 5.4 | N#CC(CCCN1CCC(O)(c2ccc(F)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 10133557 | 172515 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4483771 | 172515 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10645391 | 33554 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 412 | 8 | 1 | 4 | 5.1 | CCOc1ccc(C(C#N)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 | 10.1021/jm990316l | ||
| CHEMBL142107 | 33554 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 412 | 8 | 1 | 4 | 5.1 | CCOc1ccc(C(C#N)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 | 10.1021/jm990316l | ||
| 10133557 | 172515 | 0 | None | -1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4483771 | 172515 | 0 | None | -1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 68552829 | 171287 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 3.2 | COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)cc3C)NC(=O)CN)CC2)ccc1Cl | nan | ||
| CHEMBL4461035 | 171287 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 3.2 | COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)cc3C)NC(=O)CN)CC2)ccc1Cl | nan | ||
| 12093167 | 172301 | 33 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4475389 | 172301 | 33 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 12093167 | 172301 | 33 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4475389 | 172301 | 33 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10743274 | 119289 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 478 | 7 | 1 | 3 | 6.3 | N#CC(CCCN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL344075 | 119289 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 478 | 7 | 1 | 3 | 6.3 | N#CC(CCCN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 68551780 | 174122 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 418 | 5 | 1 | 6 | 3.5 | COc1cc(N2CCC(C(O)Cn3nc(C(F)(F)F)nc3C)CC2)ccc1Cl | nan | ||
| CHEMBL4546480 | 174122 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 418 | 5 | 1 | 6 | 3.5 | COc1cc(N2CCC(C(O)Cn3nc(C(F)(F)F)nc3C)CC2)ccc1Cl | nan | ||
| 10833944 | 118730 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 384 | 6 | 2 | 4 | 4.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(O)c1 | 10.1021/jm990316l | ||
| CHEMBL341840 | 118730 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 384 | 6 | 2 | 4 | 4.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(O)c1 | 10.1021/jm990316l | ||
| 71214710 | 83950 | 0 | None | -100 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 3.6 | Cn1nnnc1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207085 | 83950 | 0 | None | -100 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 3.6 | Cn1nnnc1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71452487 | 83953 | 0 | None | -15 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 382 | 5 | 1 | 5 | 3.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207088 | 83953 | 0 | None | -15 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 382 | 5 | 1 | 5 | 3.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71454247 | 83955 | 0 | None | -15 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 366 | 5 | 1 | 5 | 2.9 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(F)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207090 | 83955 | 0 | None | -15 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 366 | 5 | 1 | 5 | 2.9 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(F)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71456008 | 83960 | 0 | None | -25 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 404 | 5 | 1 | 6 | 4.0 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1csc2ccccc12 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207095 | 83960 | 0 | None | -25 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 404 | 5 | 1 | 6 | 4.0 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1csc2ccccc12 | 10.1016/j.bmcl.2012.09.020 | ||
| 3798520 | 170422 | 8 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 307 | 3 | 1 | 3 | 3.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4448679 | 170422 | 8 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 307 | 3 | 1 | 3 | 3.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 3798520 | 170422 | 8 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 307 | 3 | 1 | 3 | 3.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4448679 | 170422 | 8 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 307 | 3 | 1 | 3 | 3.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 3063068 | 33228 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 468 | 5 | 1 | 4 | 6.2 | Cc1ccccc1C1(O)CCN(CCCC2(C#N)c3ccccc3CSc3ccccc32)CC1 | 10.1021/jm990316l | ||
| CHEMBL141829 | 33228 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 468 | 5 | 1 | 4 | 6.2 | Cc1ccccc1C1(O)CCN(CCCC2(C#N)c3ccccc3CSc3ccccc32)CC1 | 10.1021/jm990316l | ||
| 9967166 | 169949 | 11 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 3.9 | CCc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4441958 | 169949 | 11 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 3.9 | CCc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9967166 | 169949 | 11 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 3.9 | CCc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4441958 | 169949 | 11 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 3.9 | CCc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155535265 | 171995 | 0 | None | 8 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.1 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C3CC3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4471583 | 171995 | 0 | None | 8 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.1 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C3CC3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155532102 | 171704 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4467095 | 171704 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155532102 | 171704 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4467095 | 171704 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155535265 | 171995 | 0 | None | 8 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.1 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C3CC3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4471583 | 171995 | 0 | None | 8 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.1 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C3CC3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155561022 | 174951 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 321 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(C)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4566226 | 174951 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 321 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(C)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155553428 | 174165 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1cccc(Cl)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4547735 | 174165 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1cccc(Cl)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155561022 | 174951 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 321 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(C)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4566226 | 174951 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 321 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(C)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 54712652 | 169959 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 4 | 1 | 4 | 3.7 | CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4442093 | 169959 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 4 | 1 | 4 | 3.7 | CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155553428 | 174165 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1cccc(Cl)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4547735 | 174165 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1cccc(Cl)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| 71463166 | 83961 | 0 | None | -7 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 390 | 5 | 1 | 8 | 2.3 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc2nonc12 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207096 | 83961 | 0 | None | -7 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 390 | 5 | 1 | 8 | 2.3 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc2nonc12 | 10.1016/j.bmcl.2012.09.020 | ||
| 57889188 | 114447 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 437 | 6 | 3 | 3 | 3.9 | CC[C@@H](C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | nan | ||
| CHEMBL3334816 | 114447 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 437 | 6 | 3 | 3 | 3.9 | CC[C@@H](C)NC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | nan | ||
| 71462570 | 82537 | 0 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | 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 | 82537 | 0 | None | -2 | 3 | Human | 8.6 | pKi | = | 8.6 | 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 | ||
| 57889334 | 91143 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 422 | 6 | 2 | 3 | 4.0 | CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | nan | ||
| CHEMBL2398743 | 91143 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 422 | 6 | 2 | 3 | 4.0 | CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C | nan | ||
| 54712652 | 169959 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 4 | 1 | 4 | 3.7 | CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4442093 | 169959 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 343 | 4 | 1 | 4 | 3.7 | CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 3063066 | 33719 | 1 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 454 | 5 | 1 | 4 | 5.9 | N#CC1(CCCN2CCC(O)(c3ccccc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL142244 | 33719 | 1 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 454 | 5 | 1 | 4 | 5.9 | N#CC1(CCCN2CCC(O)(c3ccccc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| 10695080 | 12170 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 418 | 6 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1021/jm990316l | ||
| CHEMBL1184276 | 12170 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 418 | 6 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1021/jm990316l | ||
| CHEMBL342444 | 12170 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 418 | 6 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 | 10.1021/jm990316l | ||
| 10645313 | 32268 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 411 | 7 | 1 | 4 | 4.7 | N#CC(CCCN1CCC(O)(c2cccnc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL141020 | 32268 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 411 | 7 | 1 | 4 | 4.7 | N#CC(CCCN1CCC(O)(c2cccnc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 10132885 | 175114 | 0 | None | 7 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 4.7 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4569870 | 175114 | 0 | None | 7 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 4.7 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10132885 | 175114 | 0 | None | 7 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 4.7 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4569870 | 175114 | 0 | None | 7 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 4.7 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10076510 | 11607 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 433 | 6 | 1 | 2 | 6.0 | C[N+]1(CCCC(C#N)c2ccc3ccccc3c2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL1180795 | 11607 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 433 | 6 | 1 | 2 | 6.0 | C[N+]1(CCCC(C#N)c2ccc3ccccc3c2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL143374 | 11607 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 433 | 6 | 1 | 2 | 6.0 | C[N+]1(CCCC(C#N)c2ccc3ccccc3c2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| 9850002 | 35050 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 532 | 5 | 1 | 4 | 6.6 | N#CC1(CCCN2CCC(O)(c3ccc(Br)cc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL143350 | 35050 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 532 | 5 | 1 | 4 | 6.6 | N#CC1(CCCN2CCC(O)(c3ccc(Br)cc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| 68556971 | 170459 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 474 | 7 | 2 | 6 | 3.3 | COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)cc3C)NC(=O)CO)CC2)ccc1Cl | nan | ||
| CHEMBL4449145 | 170459 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 474 | 7 | 2 | 6 | 3.3 | COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)cc3C)NC(=O)CO)CC2)ccc1Cl | nan | ||
| 68556936 | 172309 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 401 | 5 | 2 | 7 | 3.0 | COc1cc(N2CCC(C(O)Cn3nc(N)c4cccnc43)CC2)ccc1Cl | nan | ||
| CHEMBL4475524 | 172309 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 401 | 5 | 2 | 7 | 3.0 | COc1cc(N2CCC(C(O)Cn3nc(N)c4cccnc43)CC2)ccc1Cl | nan | ||
| 10530837 | 35420 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 556 | 5 | 1 | 4 | 7.5 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL143814 | 35420 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 556 | 5 | 1 | 4 | 7.5 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| 10293022 | 171074 | 12 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 377 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4457687 | 171074 | 12 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 377 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10554359 | 34244 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 536 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(I)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL142676 | 34244 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 536 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(I)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 10766333 | 35108 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 458 | 5 | 1 | 4 | 6.0 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2Oc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL143449 | 35108 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 458 | 5 | 1 | 4 | 6.0 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2Oc2ccccc21 | 10.1021/jm990316l | ||
| 10690854 | 32718 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 374 | 6 | 1 | 4 | 4.8 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccsc1 | 10.1021/jm990316l | ||
| CHEMBL141387 | 32718 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 374 | 6 | 1 | 4 | 4.8 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccsc1 | 10.1021/jm990316l | ||
| 10293022 | 171074 | 12 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 377 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4457687 | 171074 | 12 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 377 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 5311125 | 35142 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 488 | 5 | 1 | 4 | 6.5 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL143492 | 35142 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 488 | 5 | 1 | 4 | 6.5 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| 10623381 | 16870 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 448 | 8 | 2 | 3 | 5.3 | NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL125111 | 16870 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 448 | 8 | 2 | 3 | 5.3 | NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 12093162 | 173302 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.4 | COc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4526524 | 173302 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.4 | COc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 71457815 | 83956 | 0 | None | -50 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 3.8 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207091 | 83956 | 0 | None | -50 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 3.8 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 12093162 | 173302 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.4 | COc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4526524 | 173302 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.4 | COc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9967349 | 173041 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4519533 | 173041 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155559153 | 174757 | 0 | None | 2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 457 | 4 | 1 | 3 | 5.6 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4561618 | 174757 | 0 | None | 2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 457 | 4 | 1 | 3 | 5.6 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155559153 | 174757 | 0 | None | 2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 457 | 4 | 1 | 3 | 5.6 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4561618 | 174757 | 0 | None | 2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 457 | 4 | 1 | 3 | 5.6 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9902578 | 171331 | 0 | None | 4 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 341 | 5 | 1 | 3 | 4.5 | CCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4461627 | 171331 | 0 | None | 4 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 341 | 5 | 1 | 3 | 4.5 | CCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9902578 | 171331 | 0 | None | 4 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 341 | 5 | 1 | 3 | 4.5 | CCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4461627 | 171331 | 0 | None | 4 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 341 | 5 | 1 | 3 | 4.5 | CCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9967349 | 173041 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4519533 | 173041 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 44361881 | 168509 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 500 | 5 | 1 | 3 | 5.9 | N#CC1(CCCN2CCC(O)(c3ccc(Br)cc3)CC2)c2ccccc2Cc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL435485 | 168509 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 500 | 5 | 1 | 3 | 5.9 | N#CC1(CCCN2CCC(O)(c3ccc(Br)cc3)CC2)c2ccccc2Cc2ccccc21 | 10.1021/jm990316l | ||
| 24764465 | 175750 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 556 | 7 | 2 | 6 | 5.0 | COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)c(Cl)c3C)NC(=O)[C@@H](C)O)CC2)c(Cl)cc1Cl | nan | ||
| CHEMBL4583778 | 175750 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 556 | 7 | 2 | 6 | 5.0 | COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)c(Cl)c3C)NC(=O)[C@@H](C)O)CC2)c(Cl)cc1Cl | nan | ||
| 44537841 | 672 | 13 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | nan | ||
| 57889181 | 672 | 13 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | nan | ||
| 9497 | 672 | 13 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | nan | ||
| CHEMBL2398716 | 672 | 13 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | nan | ||
| CHEMBL3334824 | 672 | 13 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | nan | ||
| 155539148 | 172780 | 0 | None | 3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 4.1 | CCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4513770 | 172780 | 0 | None | 3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 4.1 | CCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155539148 | 172780 | 0 | None | 3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 4.1 | CCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4513770 | 172780 | 0 | None | 3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 4.1 | CCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 22725647 | 173675 | 0 | None | -3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4535696 | 173675 | 0 | None | -3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10501338 | 121017 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 402 | 6 | 1 | 3 | 5.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Cl | 10.1021/jm990316l | ||
| CHEMBL356764 | 121017 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 402 | 6 | 1 | 3 | 5.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Cl | 10.1021/jm990316l | ||
| 155545804 | 173473 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 355 | 6 | 1 | 3 | 4.9 | CCCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4530510 | 173473 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 355 | 6 | 1 | 3 | 4.9 | CCCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 22725647 | 173675 | 0 | None | -3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4535696 | 173675 | 0 | None | -3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155545804 | 173473 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 355 | 6 | 1 | 3 | 4.9 | CCCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4530510 | 173473 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 355 | 6 | 1 | 3 | 4.9 | CCCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 71450658 | 83963 | 0 | None | -31 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 450 | 5 | 1 | 5 | 4.7 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207098 | 83963 | 0 | None | -31 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 450 | 5 | 1 | 5 | 4.7 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71454248 | 83966 | 0 | None | -25 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 422 | 5 | 1 | 6 | 4.1 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1ccc(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207100 | 83966 | 0 | None | -25 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 422 | 5 | 1 | 6 | 4.1 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1ccc(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | ||
| 10649043 | 34524 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 499 | 5 | 1 | 4 | 5.5 | CN1C(=O)c2ccccc2C(C#N)(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL142925 | 34524 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 499 | 5 | 1 | 4 | 5.5 | CN1C(=O)c2ccccc2C(C#N)(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc21 | 10.1021/jm990316l | ||
| 10717972 | 119325 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 440 | 8 | 1 | 5 | 4.4 | CCOC(=O)C(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL344324 | 119325 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 440 | 8 | 1 | 5 | 4.4 | CCOC(=O)C(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| 10647579 | 35362 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 458 | 6 | 1 | 3 | 5.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1c(F)c(F)c(F)c(F)c1F | 10.1021/jm990316l | ||
| CHEMBL143772 | 35362 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 458 | 6 | 1 | 3 | 5.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1c(F)c(F)c(F)c(F)c1F | 10.1021/jm990316l | ||
| 9956488 | 119212 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 472 | 5 | 1 | 4 | 5.8 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2COc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL343511 | 119212 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 472 | 5 | 1 | 4 | 5.8 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2COc2ccccc21 | 10.1021/jm990316l | ||
| 10672205 | 119353 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 474 | 9 | 1 | 4 | 6.3 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(OCc2ccccc2)cc1 | 10.1021/jm990316l | ||
| CHEMBL344499 | 119353 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 474 | 9 | 1 | 4 | 6.3 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(OCc2ccccc2)cc1 | 10.1021/jm990316l | ||
| 10670785 | 33090 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 440 | 8 | 1 | 4 | 5.3 | COc1ccc(C2(O)CCN(CCCC(C#N)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1021/jm990316l | ||
| CHEMBL141713 | 33090 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 440 | 8 | 1 | 4 | 5.3 | COc1ccc(C2(O)CCN(CCCC(C#N)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1021/jm990316l | ||
| 44199443 | 170515 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 6 | 2 | 3 | 4.0 | CCC(NC(=O)C1CCCC1)C(O)C1CCN(c2ccc(Cl)cc2)CC1 | nan | ||
| CHEMBL4449875 | 170515 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 378 | 6 | 2 | 3 | 4.0 | CCC(NC(=O)C1CCCC1)C(O)C1CCN(c2ccc(Cl)cc2)CC1 | nan | ||
| 10597049 | 33211 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 398 | 7 | 1 | 4 | 4.7 | COc1ccc(C(C#N)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 | 10.1021/jm990316l | ||
| CHEMBL141817 | 33211 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 398 | 7 | 1 | 4 | 4.7 | COc1ccc(C(C#N)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 | 10.1021/jm990316l | ||
| 10837160 | 121096 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 446 | 6 | 1 | 3 | 5.5 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Br | 10.1021/jm990316l | ||
| CHEMBL357445 | 121096 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 446 | 6 | 1 | 3 | 5.5 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Br | 10.1021/jm990316l | ||
| 10596333 | 33622 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 386 | 6 | 1 | 3 | 4.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1F | 10.1021/jm990316l | ||
| CHEMBL142160 | 33622 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 386 | 6 | 1 | 3 | 4.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1F | 10.1021/jm990316l | ||
| 9902204 | 170102 | 12 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4443909 | 170102 | 12 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10503474 | 34278 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 444 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2cccc(Cl)c2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL142713 | 34278 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 444 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2cccc(Cl)c2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 15985912 | 83946 | 0 | None | -2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207081 | 83946 | 0 | None | -2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71214709 | 83949 | 0 | None | -14 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 3.8 | Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207084 | 83949 | 0 | None | -14 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 3.8 | Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71454246 | 83954 | 0 | None | -7 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 376 | 5 | 1 | 5 | 3.4 | Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)cc1C | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207089 | 83954 | 0 | None | -7 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 376 | 5 | 1 | 5 | 3.4 | Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)cc1C | 10.1016/j.bmcl.2012.09.020 | ||
| 87494453 | 174933 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 544 | 7 | 1 | 5 | 5.6 | COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)c(Cl)c3C)NC(=O)CF)CC2)c(Cl)cc1Cl | nan | ||
| CHEMBL4565880 | 174933 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 544 | 7 | 1 | 5 | 5.6 | COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)c(Cl)c3C)NC(=O)CF)CC2)c(Cl)cc1Cl | nan | ||
| 9902204 | 170102 | 12 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4443909 | 170102 | 12 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155513751 | 169777 | 0 | None | 7 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 341 | 4 | 1 | 3 | 4.3 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4439354 | 169777 | 0 | None | 7 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 341 | 4 | 1 | 3 | 4.3 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10694874 | 34940 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 450 | 7 | 1 | 3 | 6.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)C1CCCCC1 | 10.1021/jm990316l | ||
| CHEMBL143266 | 34940 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 450 | 7 | 1 | 3 | 6.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)C1CCCCC1 | 10.1021/jm990316l | ||
| 10524463 | 164861 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 390 | 9 | 1 | 3 | 5.3 | CCCCC1(O)CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL422115 | 164861 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 390 | 9 | 1 | 3 | 5.3 | CCCCC1(O)CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1 | 10.1021/jm990316l | ||
| 10838033 | 119068 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 468 | 6 | 1 | 4 | 6.0 | N#CC1(CCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL342721 | 119068 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 468 | 6 | 1 | 4 | 6.0 | N#CC1(CCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| 10814504 | 121013 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 477 | 8 | 1 | 4 | 5.6 | COC(=O)C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL356718 | 121013 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 477 | 8 | 1 | 4 | 5.6 | COC(=O)C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 9845614 | 121256 | 26 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 430 | 6 | 1 | 3 | 5.5 | N#CC(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL357919 | 121256 | 26 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 430 | 6 | 1 | 3 | 5.5 | N#CC(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 155513751 | 169777 | 0 | None | 7 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 341 | 4 | 1 | 3 | 4.3 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4439354 | 169777 | 0 | None | 7 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 341 | 4 | 1 | 3 | 4.3 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 22335694 | 171534 | 0 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4464639 | 171534 | 0 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10571296 | 35449 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 371 | 6 | 1 | 4 | 4.0 | Cn1cccc1C(C#N)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL143840 | 35449 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 371 | 6 | 1 | 4 | 4.0 | Cn1cccc1C(C#N)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| 22335694 | 171534 | 0 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4464639 | 171534 | 0 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9804868 | 33808 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 472 | 5 | 1 | 4 | 6.0 | N#CC1(CCCN2CCC(O)(c3ccc(F)cc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL142318 | 33808 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 472 | 5 | 1 | 4 | 6.0 | N#CC1(CCCN2CCC(O)(c3ccc(F)cc3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| 9956380 | 168225 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 470 | 5 | 1 | 3 | 6.0 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2CCc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL433746 | 168225 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 470 | 5 | 1 | 3 | 6.0 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2CCc2ccccc21 | 10.1021/jm990316l | ||
| 10786180 | 35433 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 382 | 6 | 1 | 3 | 4.9 | CC(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL143825 | 35433 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 382 | 6 | 1 | 3 | 4.9 | CC(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| 10573219 | 35557 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 402 | 6 | 1 | 3 | 5.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 | 10.1021/jm990316l | ||
| CHEMBL143942 | 35557 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 402 | 6 | 1 | 3 | 5.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 | 10.1021/jm990316l | ||
| 22335665 | 173443 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4529804 | 173443 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 12093163 | 174378 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2cccc(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4552420 | 174378 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2cccc(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 22335665 | 173443 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4529804 | 173443 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10695227 | 35294 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 458 | 9 | 1 | 6 | 4.7 | COc1cc(C(C#N)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc(OC)c1OC | 10.1021/jm990316l | ||
| CHEMBL143690 | 35294 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 458 | 9 | 1 | 6 | 4.7 | COc1cc(C(C#N)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc(OC)c1OC | 10.1021/jm990316l | ||
| 10195332 | 82538 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 461 | 9 | 4 | 6 | 3.4 | CC(=O)Nc1ccc(O)cc1OC[C@@](C)(O)CNC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1021/jm300682j | ||
| CHEMBL2178570 | 82538 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 461 | 9 | 4 | 6 | 3.4 | CC(=O)Nc1ccc(O)cc1OC[C@@](C)(O)CNC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1021/jm300682j | ||
| 54671008 | 94897 | 104 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 444 | 6 | 3 | 9 | 0.9 | Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1 | 10.1021/jm300682j | ||
| CHEMBL254316 | 94897 | 104 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 444 | 6 | 3 | 9 | 0.9 | Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1 | 10.1021/jm300682j | ||
| 155521447 | 170560 | 0 | None | 2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4450561 | 170560 | 0 | None | 2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 87496446 | 170754 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 542 | 7 | 2 | 6 | 4.6 | COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)c(Cl)c3C)NC(=O)CO)CC2)c(Cl)cc1Cl | nan | ||
| CHEMBL4452884 | 170754 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 542 | 7 | 2 | 6 | 4.6 | COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)c(Cl)c3C)NC(=O)CO)CC2)c(Cl)cc1Cl | nan | ||
| 155521447 | 170560 | 0 | None | 2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4450561 | 170560 | 0 | None | 2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155514261 | 169812 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4439854 | 169812 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155514261 | 169812 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4439854 | 169812 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 12093163 | 174378 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2cccc(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4552420 | 174378 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2cccc(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 15985914 | 83945 | 0 | None | -8 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 457 | 6 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1nnnc1C1CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207080 | 83945 | 0 | None | -8 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 457 | 6 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1nnnc1C1CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71450657 | 83959 | 0 | None | -19 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 422 | 5 | 1 | 6 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cc(Cl)c(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207094 | 83959 | 0 | None | -19 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 422 | 5 | 1 | 6 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cc(Cl)c(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | ||
| 10789482 | 33655 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 9 | 1 | 3 | 5.9 | N#CC(CCCCl)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL142191 | 33655 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 9 | 1 | 3 | 5.9 | N#CC(CCCCl)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| 10549688 | 165344 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 413 | 7 | 1 | 5 | 4.6 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 | 10.1021/jm990316l | ||
| CHEMBL423734 | 165344 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 413 | 7 | 1 | 5 | 4.6 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 | 10.1021/jm990316l | ||
| 9889700 | 118562 | 17 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL34166 | 118562 | 17 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 444 | 7 | 1 | 3 | 5.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 9967465 | 172063 | 11 | None | -2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4472384 | 172063 | 11 | None | -2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10764931 | 119242 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 426 | 7 | 1 | 5 | 4.0 | COC(=O)C(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL343680 | 119242 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 426 | 7 | 1 | 5 | 4.0 | COC(=O)C(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| 10667913 | 33625 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 386 | 6 | 1 | 3 | 4.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | 10.1021/jm990316l | ||
| CHEMBL142161 | 33625 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 386 | 6 | 1 | 3 | 4.9 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 | 10.1021/jm990316l | ||
| 2868511 | 42600 | 12 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 3.5 | COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL1500746 | 42600 | 12 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 3.5 | COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10499297 | 34704 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 368 | 6 | 1 | 3 | 4.7 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL143059 | 34704 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 368 | 6 | 1 | 3 | 4.7 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| 9870787 | 34833 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 504 | 5 | 1 | 4 | 5.5 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2C[S+]([O-])c2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL143173 | 34833 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 504 | 5 | 1 | 4 | 5.5 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2C[S+]([O-])c2ccccc21 | 10.1021/jm990316l | ||
| 9857981 | 170763 | 11 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4453024 | 170763 | 11 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9945265 | 171159 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4459033 | 171159 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 2868511 | 42600 | 12 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 3.5 | COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL1500746 | 42600 | 12 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 3.5 | COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9967465 | 172063 | 11 | None | -2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4472384 | 172063 | 11 | None | -2 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9857981 | 170763 | 11 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4453024 | 170763 | 11 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9945265 | 171159 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4459033 | 171159 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9869274 | 119287 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 468 | 5 | 1 | 3 | 6.4 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2C=Cc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL344073 | 119287 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 468 | 5 | 1 | 3 | 6.4 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2C=Cc2ccccc21 | 10.1021/jm990316l | ||
| 9924108 | 171749 | 0 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4467708 | 171749 | 0 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9924108 | 171749 | 0 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4467708 | 171749 | 0 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10737864 | 121547 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 369 | 6 | 1 | 4 | 4.1 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccn1 | 10.1021/jm990316l | ||
| CHEMBL358596 | 121547 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 369 | 6 | 1 | 4 | 4.1 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccn1 | 10.1021/jm990316l | ||
| 11801020 | 12216 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 434 | 7 | 1 | 1 | 6.4 | C[N+]1(CCCC(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL1184558 | 12216 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 434 | 7 | 1 | 1 | 6.4 | C[N+]1(CCCC(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL356099 | 12216 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 434 | 7 | 1 | 1 | 6.4 | C[N+]1(CCCC(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| 24863549 | 170384 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 526 | 6 | 1 | 5 | 5.6 | COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)c(Cl)c3C)NC(C)=O)CC2)c(Cl)cc1Cl | nan | ||
| CHEMBL4448154 | 170384 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 526 | 6 | 1 | 5 | 5.6 | COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)c(Cl)c3C)NC(C)=O)CC2)c(Cl)cc1Cl | nan | ||
| 10768343 | 118716 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 522 | 5 | 1 | 4 | 6.9 | N#CC1(CCCN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL341769 | 118716 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 522 | 5 | 1 | 4 | 6.9 | N#CC1(CCCN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2CSc2ccccc21 | 10.1021/jm990316l | ||
| 155526680 | 171105 | 0 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 467 | 3 | 1 | 3 | 4.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4458295 | 171105 | 0 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 467 | 3 | 1 | 3 | 4.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155526680 | 171105 | 0 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 467 | 3 | 1 | 3 | 4.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4458295 | 171105 | 0 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 467 | 3 | 1 | 3 | 4.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| 3794409 | 170732 | 7 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4452558 | 170732 | 7 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 3794409 | 170732 | 7 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4452558 | 170732 | 7 | None | 3 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9870787 | 34833 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 504 | 5 | 1 | 4 | 5.5 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2C[S+]([O-])c2ccccc21 | 10.1021/jm990316l | ||
| CHEMBL143173 | 34833 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 504 | 5 | 1 | 4 | 5.5 | N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2C[S+]([O-])c2ccccc21 | 10.1021/jm990316l | ||
| 10813846 | 31397 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 460 | 7 | 1 | 3 | 6.4 | N#CC(CCCN1CCC(O)(c2ccc3ccccc3c2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL140270 | 31397 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 460 | 7 | 1 | 3 | 6.4 | N#CC(CCCN1CCC(O)(c2ccc3ccccc3c2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 3497 | 1172 | 25 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | 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 | 1172 | 25 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | 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 | 1172 | 25 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | 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 | ||
| 10766998 | 33993 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 476 | 7 | 1 | 4 | 5.5 | COc1ccc(C(C#N)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1Br | 10.1021/jm990316l | ||
| CHEMBL142468 | 33993 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 476 | 7 | 1 | 4 | 5.5 | COc1ccc(C(C#N)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1Br | 10.1021/jm990316l | ||
| 10693630 | 78816 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 424 | 8 | 1 | 3 | 5.3 | N#CC(CCCN1CCC(CO)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL2112830 | 78816 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 424 | 8 | 1 | 3 | 5.3 | N#CC(CCCN1CCC(CO)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 155548977 | 173771 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 4 | 1 | 3 | 5.0 | Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4538013 | 173771 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 4 | 1 | 3 | 5.0 | Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155548977 | 173771 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 4 | 1 | 3 | 5.0 | Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4538013 | 173771 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 375 | 4 | 1 | 3 | 5.0 | Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10575889 | 33659 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 458 | 8 | 1 | 3 | 6.3 | N#CC(CCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL142199 | 33659 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 458 | 8 | 1 | 3 | 6.3 | N#CC(CCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 10643770 | 34369 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 384 | 6 | 2 | 4 | 4.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1O | 10.1021/jm990316l | ||
| CHEMBL142798 | 34369 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 384 | 6 | 2 | 4 | 4.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1O | 10.1021/jm990316l | ||
| 71463165 | 83951 | 0 | None | -6 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 348 | 5 | 1 | 5 | 2.8 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccccc1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207086 | 83951 | 0 | None | -6 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 348 | 5 | 1 | 5 | 2.8 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccccc1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71456007 | 83957 | 0 | None | -5 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 373 | 5 | 1 | 6 | 2.7 | N#Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207092 | 83957 | 0 | None | -5 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 373 | 5 | 1 | 6 | 2.7 | N#Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 10722083 | 72549 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 459 | 7 | 1 | 2 | 6.1 | C[N+]1(CCCC(C#N)(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL141127 | 72549 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 459 | 7 | 1 | 2 | 6.1 | C[N+]1(CCCC(C#N)(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL199252 | 72549 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 459 | 7 | 1 | 2 | 6.1 | C[N+]1(CCCC(C#N)(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| 3796276 | 170826 | 7 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Br)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4453953 | 170826 | 7 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Br)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 3796276 | 170826 | 7 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Br)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4453953 | 170826 | 7 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Br)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9959839 | 34319 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 574 | 10 | 4 | 4 | 5.4 | O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)NC1CCNCC1 | 10.1021/jm990316l | ||
| CHEMBL142752 | 34319 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 574 | 10 | 4 | 4 | 5.4 | O=C(NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)NC1CCNCC1 | 10.1021/jm990316l | ||
| 10525695 | 121472 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 411 | 7 | 1 | 4 | 4.7 | N#CC(CCCN1CCC(O)(c2ccccn2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL358283 | 121472 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 411 | 7 | 1 | 4 | 4.7 | N#CC(CCCN1CCC(O)(c2ccccn2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 11798220 | 33740 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 460 | 8 | 1 | 4 | 6.5 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(Oc2ccccc2)c1 | 10.1021/jm990316l | ||
| CHEMBL142263 | 33740 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 460 | 8 | 1 | 4 | 6.5 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(Oc2ccccc2)c1 | 10.1021/jm990316l | ||
| 10789018 | 35146 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 435 | 7 | 1 | 4 | 5.1 | N#Cc1ccc(C2(O)CCN(CCCC(C#N)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1021/jm990316l | ||
| CHEMBL143499 | 35146 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 435 | 7 | 1 | 4 | 5.1 | N#Cc1ccc(C2(O)CCN(CCCC(C#N)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1021/jm990316l | ||
| 10548809 | 119145 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 396 | 7 | 1 | 3 | 5.3 | CCC(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL343028 | 119145 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 396 | 7 | 1 | 3 | 5.3 | CCC(C#N)(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 | 10.1021/jm990316l | ||
| 44199443 | 170515 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 378 | 6 | 2 | 3 | 4.0 | CCC(NC(=O)C1CCCC1)C(O)C1CCN(c2ccc(Cl)cc2)CC1 | nan | ||
| CHEMBL4449875 | 170515 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 378 | 6 | 2 | 3 | 4.0 | CCC(NC(=O)C1CCCC1)C(O)C1CCN(c2ccc(Cl)cc2)CC1 | nan | ||
| 10810107 | 36887 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 384 | 6 | 2 | 4 | 4.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(O)cc1 | 10.1021/jm990316l | ||
| CHEMBL145106 | 36887 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 384 | 6 | 2 | 4 | 4.4 | N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(O)cc1 | 10.1021/jm990316l | ||
| 10572669 | 119415 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 393 | 6 | 1 | 4 | 4.6 | N#Cc1ccccc1C(C#N)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| CHEMBL344989 | 119415 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 393 | 6 | 1 | 4 | 4.6 | N#Cc1ccccc1C(C#N)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1 | 10.1021/jm990316l | ||
| 10576419 | 34168 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 472 | 9 | 1 | 3 | 6.7 | N#CC(CCCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| CHEMBL142620 | 34168 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 472 | 9 | 1 | 3 | 6.7 | N#CC(CCCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 | 10.1021/jm990316l | ||
| 44537841 | 672 | 13 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | Guide to Pharmacology | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 25101488 | ||
| 57889181 | 672 | 13 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | Guide to Pharmacology | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 25101488 | ||
| 9497 | 672 | 13 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | Guide to Pharmacology | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 25101488 | ||
| CHEMBL2398716 | 672 | 13 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | Guide to Pharmacology | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 25101488 | ||
| CHEMBL3334824 | 672 | 13 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Binding | Guide to Pharmacology | 438 | 6 | 3 | 4 | 3.1 | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C | 25101488 | ||
| 3497 | 1172 | 25 | None | 2 | 3 | Human | 8.0 | pKd | = | 8 | Binding | Guide to Pharmacology | 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 | 12909630 | ||
| 5311123 | 1172 | 25 | None | 2 | 3 | Human | 8.0 | pKd | = | 8 | Binding | Guide to Pharmacology | 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 | 12909630 | ||
| CHEMBL1628706 | 1172 | 25 | None | 2 | 3 | Human | 8.0 | pKd | = | 8 | Binding | Guide to Pharmacology | 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 | 12909630 | ||
| 54671008 | 94897 | 104 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 444 | 6 | 3 | 9 | 0.9 | Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1 | None | ||
| CHEMBL254316 | 94897 | 104 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 444 | 6 | 3 | 9 | 0.9 | Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1 | None | ||
| 753 | 826 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 12381680 | ||||
| 757 | 858 | 0 | None | -112 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 12381680 | ||||
| 757 | 858 | 0 | None | -112 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 8530354 | ||||
| 758 | 862 | 0 | None | -89 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 8530354 | ||||
| 758 | 862 | 0 | None | -89 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 9624164 | ||||
| 759 | 864 | 0 | None | -6 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 11994538 | ||||
| 759 | 864 | 0 | None | -6 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 12381680 | ||||
| 512282 | 755 | 59 | None | 147 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10748002 | ||
| 767 | 755 | 59 | None | 147 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10748002 | ||
| CHEMBL232656 | 755 | 59 | None | 147 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 434 | 6 | 2 | 4 | 3.1 | NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F | 10748002 | ||
| 755 | 845 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 12381680 | ||||
| 756 | 857 | 0 | None | 3 | 2 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 11170631 | ||||
| 756 | 857 | 0 | None | 3 | 2 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 12381680 | ||||
| 756 | 857 | 0 | None | 3 | 2 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8530354 | ||||
| 756 | 857 | 0 | None | 3 | 2 | Human | 9.0 | pKi | = | 9 | Binding | Guide to Pharmacology | None | None | None | None | 9624164 | ||||
| 760 | 1642 | 0 | None | -3 | 2 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 11170631 | ||||
| 752 | 707 | 0 | None | 12 | 2 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 11170631 | ||||