Ligand source activities (1 row/activity)
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| 445643 | 104164 | 69 | None | -1 | 7 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 803 | 7 | 3 | 12 | 4.6 | C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL269732 | 104164 | 69 | None | -1 | 7 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 803 | 7 | 3 | 12 | 4.6 | C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC | 10.1038/s41467-023-40064-9 | ||
| 2398 | 7741 | 62 | None | -7413 | 36 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 2801 | 7741 | 62 | None | -7413 | 36 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 701 | 7741 | 62 | None | -7413 | 36 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL415 | 7741 | 62 | None | -7413 | 36 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| DB01242 | 7741 | 62 | None | -7413 | 36 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | ||
| 5022 | 8432 | 76 | None | -239 | 9 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 6918248 | 8432 | 76 | None | -239 | 9 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 8182 | 8432 | 76 | None | -239 | 9 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL231068 | 8432 | 76 | None | -239 | 9 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB04908 | 8432 | 76 | None | -239 | 9 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 390 | 4 | 1 | 4 | 3.2 | O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2247 | 7293 | 81 | None | -812 | 42 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 249 | 7293 | 81 | None | -812 | 42 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2603 | 7293 | 81 | None | -812 | 42 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL296419 | 7293 | 81 | None | -812 | 42 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00637 | 7293 | 81 | None | -812 | 42 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2710 | 91083 | 31 | None | -25 | 9 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 300 | 3 | 0 | 2 | 3.7 | CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL22150 | 91083 | 31 | None | -25 | 9 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 300 | 3 | 0 | 2 | 3.7 | CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 3351 | 101777 | 52 | None | -1 | 6 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 388 | 5 | 0 | 5 | 2.8 | O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL254857 | 101777 | 52 | None | -1 | 6 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 388 | 5 | 0 | 5 | 2.8 | O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 9823820 | 25938 | 102 | None | 1 | 2 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 426 | 6 | 3 | 5 | 4.1 | COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1289601 | 25938 | 102 | None | 1 | 2 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 426 | 6 | 3 | 5 | 4.1 | COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O | 10.1038/s41467-023-40064-9 | ||
| 3035016 | 19366 | 50 | None | 1 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 483 | 3 | 5 | 10 | 0.6 | CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1186894 | 19366 | 50 | None | 1 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 483 | 3 | 5 | 10 | 0.6 | CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O | 10.1038/s41467-023-40064-9 | ||
| 3627 | 50903 | 18 | None | -162 | 9 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 314 | 3 | 0 | 2 | 4.1 | CN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1515447 | 50903 | 18 | None | -162 | 9 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 314 | 3 | 0 | 2 | 4.1 | CN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 196122 | 119365 | 55 | None | -1 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 478 | 13 | 1 | 6 | 4.5 | CCOC1O[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3301681 | 119365 | 55 | None | -1 | 4 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 478 | 13 | 1 | 6 | 4.5 | CCOC1O[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O | 10.1038/s41467-023-40064-9 | ||
| 98941 | 53724 | 17 | None | -58 | 11 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 457 | 7 | 0 | 4 | 6.3 | COc1ccc2c(c1)OC(C)(C)C(c1ccccc1)C2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL154126 | 53724 | 17 | None | -58 | 11 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 457 | 7 | 0 | 4 | 6.3 | COc1ccc2c(c1)OC(C)(C)C(c1ccccc1)C2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 4150 | 7575 | 39 | None | -19 | 15 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | ||
| 5288 | 7575 | 39 | None | -19 | 15 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | ||
| 644019 | 7575 | 39 | None | -19 | 15 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL190461 | 7575 | 39 | None | -19 | 15 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | ||
| DB09061 | 7575 | 39 | None | -19 | 15 | Human | 5.9 | pAC50 | = | 5.9 | Functional | ChEMBL | 314 | 6 | 2 | 2 | 5.8 | CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C | 10.1038/s41467-023-40064-9 | ||
| 9818306 | 21191 | 15 | None | -1 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 314 | 1 | 1 | 3 | 3.8 | CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200430 | 21191 | 15 | None | -1 | 5 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 314 | 1 | 1 | 3 | 3.8 | CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 | 10.1038/s41467-023-40064-9 | ||
| 5568 | 204279 | 29 | None | -4365 | 13 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 10.1038/s41467-023-40064-9 | ||
| 66069 | 204279 | 29 | None | -4365 | 13 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201102 | 204279 | 29 | None | -4365 | 13 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL570 | 204279 | 29 | None | -4365 | 13 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 352 | 4 | 0 | 3 | 5.3 | CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 10.1038/s41467-023-40064-9 | ||
| 64143 | 205643 | 62 | None | -2 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL584 | 205643 | 62 | None | -2 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 2520 | 210787 | 70 | None | -120 | 20 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1280 | 210787 | 70 | None | -120 | 20 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL6966 | 210787 | 70 | None | -120 | 20 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 10.1038/s41467-023-40064-9 | ||
| 10180 | 105645 | 47 | None | -25 | 11 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 340 | 6 | 1 | 4 | 4.5 | CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL279014 | 105645 | 47 | None | -25 | 11 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 340 | 6 | 1 | 4 | 4.5 | CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12 | 10.1038/s41467-023-40064-9 | ||
| 6077 | 157477 | 31 | None | -4570 | 11 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 326 | 5 | 0 | 4 | 4.4 | CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL39560 | 157477 | 31 | None | -4570 | 11 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 326 | 5 | 0 | 4 | 4.4 | CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| 1662 | 195484 | 80 | None | -1 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 162 | 4 | 3 | 3 | -0.3 | CC(O)(CC(=O)O)CC(=O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL50444 | 195484 | 80 | None | -1 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 162 | 4 | 3 | 3 | -0.3 | CC(O)(CC(=O)O)CC(=O)O | 10.1038/s41467-023-40064-9 | ||
| 24795069 | 95823 | 42 | None | -9 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 418 | 7 | 1 | 6 | 3.6 | COc1cc2c(cc1OC)[C@H]1C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2364639 | 95823 | 42 | None | -9 | 3 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 418 | 7 | 1 | 6 | 3.6 | COc1cc2c(cc1OC)[C@H]1C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CC2 | 10.1038/s41467-023-40064-9 | ||
| 4822 | 51806 | 47 | None | -1995 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 293 | 0 | 0 | 2 | 4.7 | CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL152408 | 51806 | 47 | None | -1995 | 10 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 293 | 0 | 0 | 2 | 4.7 | CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| 3280 | 55223 | 28 | None | -8 | 8 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 395 | 10 | 0 | 5 | 5.4 | CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1555736 | 55223 | 28 | None | -8 | 8 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 395 | 10 | 0 | 5 | 5.4 | CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC | 10.1038/s41467-023-40064-9 | ||
| 10071196 | 9898 | 79 | None | -1023 | 9 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 427 | 8 | 1 | 3 | 4.7 | CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C | 10.1038/s41467-023-40064-9 | ||
| 5142 | 9898 | 79 | None | -1023 | 9 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 427 | 8 | 1 | 3 | 4.7 | CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C | 10.1038/s41467-023-40064-9 | ||
| 8423 | 9898 | 79 | None | -1023 | 9 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 427 | 8 | 1 | 3 | 4.7 | CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2111101 | 9898 | 79 | None | -1023 | 9 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 427 | 8 | 1 | 3 | 4.7 | CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C | 10.1038/s41467-023-40064-9 | ||
| DB05316 | 9898 | 79 | None | -1023 | 9 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 427 | 8 | 1 | 3 | 4.7 | CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C | 10.1038/s41467-023-40064-9 | ||
| 49843517 | 85069 | 41 | None | -42 | 8 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 590 | 13 | 2 | 6 | 8.5 | CCCCCCO[C@@H](C)c1cccc(-c2csc(NC(=O)c3cc(Cl)c(/C=C(\C)C(=O)O)c(Cl)c3)n2)c1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2107831 | 85069 | 41 | None | -42 | 8 | Human | 4.9 | pAC50 | = | 4.9 | Functional | ChEMBL | 590 | 13 | 2 | 6 | 8.5 | CCCCCCO[C@@H](C)c1cccc(-c2csc(NC(=O)c3cc(Cl)c(/C=C(\C)C(=O)O)c(Cl)c3)n2)c1OC | 10.1038/s41467-023-40064-9 | ||
| 444795 | 146777 | 105 | None | -40 | 6 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL38 | 146777 | 105 | None | -40 | 6 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 300 | 5 | 1 | 1 | 5.6 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 | 10.1038/s41467-023-40064-9 | ||
| 3735 | 213010 | 76 | None | -1 | 3 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 571 | 4 | 2 | 2 | 3.7 | CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL867 | 213010 | 76 | None | -1 | 3 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 571 | 4 | 2 | 2 | 3.7 | CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O | 10.1038/s41467-023-40064-9 | ||
| 2583 | 10548 | 118 | None | -9120 | 16 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 592 | 10548 | 118 | None | -9120 | 16 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 65999 | 10548 | 118 | None | -9120 | 16 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1017 | 10548 | 118 | None | -9120 | 16 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00966 | 10548 | 118 | None | -9120 | 16 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 65863 | 21237 | 57 | None | -8 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 436 | 6 | 0 | 4 | 7.0 | Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201196 | 21237 | 57 | None | -8 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 436 | 6 | 0 | 4 | 7.0 | Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| 208898 | 72973 | 78 | None | -22 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 556 | 18 | 1 | 6 | 7.0 | CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL184412 | 72973 | 78 | None | -22 | 11 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 556 | 18 | 1 | 6 | 7.0 | CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1 | 10.1038/s41467-023-40064-9 | ||
| 2444 | 21250 | 26 | None | -10 | 8 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 333 | 6 | 0 | 2 | 4.1 | CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201245 | 21250 | 26 | None | -10 | 8 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 333 | 6 | 0 | 2 | 4.1 | CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1 | 10.1038/s41467-023-40064-9 | ||
| 2749 | 7132 | 40 | None | -512 | 10 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 298 | 4 | 0 | 3 | 4.5 | CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| 5574 | 7132 | 40 | None | -512 | 10 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 298 | 4 | 0 | 3 | 4.5 | CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| 7237 | 7132 | 40 | None | -512 | 10 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 298 | 4 | 0 | 3 | 4.5 | CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL829 | 7132 | 40 | None | -512 | 10 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 298 | 4 | 0 | 3 | 4.5 | CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| DB01246 | 7132 | 40 | None | -512 | 10 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 298 | 4 | 0 | 3 | 4.5 | CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C | 10.1038/s41467-023-40064-9 | ||
| 50905713 | 109173 | 76 | None | 1 | 2 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 416 | 4 | 2 | 6 | 4.5 | C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3039502 | 109173 | 76 | None | 1 | 2 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 416 | 4 | 2 | 6 | 4.5 | C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 24821094 | 73868 | 93 | None | 1 | 8 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 440 | 5 | 1 | 7 | 4.2 | C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1873475 | 73868 | 93 | None | 1 | 8 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | 440 | 5 | 1 | 7 | 4.2 | C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | 10.1038/s41467-023-40064-9 | ||
| 8569 | 29415 | 91 | None | -1 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 244 | 3 | 2 | 4 | 2.3 | COc1ccc(C(=O)c2ccccc2O)c(O)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1326877 | 29415 | 91 | None | -1 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 244 | 3 | 2 | 4 | 2.3 | COc1ccc(C(=O)c2ccccc2O)c(O)c1 | 10.1038/s41467-023-40064-9 | ||
| 62867 | 9903 | 35 | None | -5248 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 475 | 8 | 1 | 6 | 4.0 | OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| 7557 | 9903 | 35 | None | -5248 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 475 | 8 | 1 | 6 | 4.0 | OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL398880 | 9903 | 35 | None | -5248 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 475 | 8 | 1 | 6 | 4.0 | OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| DB01621 | 9903 | 35 | None | -5248 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 475 | 8 | 1 | 6 | 4.0 | OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| 6917906 | 74547 | 21 | None | -7 | 5 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 887 | 35 | 10 | 12 | 1.7 | CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(C)=O)C(N)=O)C(=O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1908331 | 74547 | 21 | None | -7 | 5 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 887 | 35 | 10 | 12 | 1.7 | CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(C)=O)C(N)=O)C(=O)O | 10.1038/s41467-023-40064-9 | ||
| 37464 | 25993 | 26 | None | -4466 | 8 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 291 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1290 | 25993 | 26 | None | -4466 | 8 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 291 | 6 | 2 | 3 | 3.5 | CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1 | 10.1038/s41467-023-40064-9 | ||
| 60151560 | 174221 | 39 | None | -1 | 5 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 439 | 11 | 1 | 5 | 5.3 | CCO[C@@H](Cc1ccc(OCCn2c(C)ccc2-c2ccc(SC)cc2)cc1)C(=O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL4297530 | 174221 | 39 | None | -1 | 5 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 439 | 11 | 1 | 5 | 5.3 | CCO[C@@H](Cc1ccc(OCCn2c(C)ccc2-c2ccc(SC)cc2)cc1)C(=O)O | 10.1038/s41467-023-40064-9 | ||
| 133 | 9274 | 52 | None | -41686 | 28 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 10.1038/s41467-023-40064-9 | ||
| 1723 | 9274 | 52 | None | -41686 | 28 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 10.1038/s41467-023-40064-9 | ||
| 28693 | 9274 | 52 | None | -41686 | 28 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL19215 | 9274 | 52 | None | -41686 | 28 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 10.1038/s41467-023-40064-9 | ||
| DB13520 | 9274 | 52 | None | -41686 | 28 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 403 | 4 | 1 | 4 | 4.1 | O=C(OCc1ccccc1)NC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C | 10.1038/s41467-023-40064-9 | ||
| 124087 | 8171 | 114 | None | -380 | 27 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| 7157 | 8171 | 114 | None | -380 | 27 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| 814 | 8171 | 114 | None | -380 | 27 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1172 | 8171 | 114 | None | -380 | 27 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00967 | 8171 | 114 | None | -380 | 27 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | 10.1038/s41467-023-40064-9 | ||
| 3157 | 8252 | 71 | None | -22387 | 22 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 7170 | 8252 | 71 | None | -22387 | 22 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 954 | 8252 | 71 | None | -22387 | 22 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL707 | 8252 | 71 | None | -22387 | 22 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00590 | 8252 | 71 | None | -22387 | 22 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2107 | 9829 | 50 | None | -5248 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 365 | 4 | 1 | 5 | 4.0 | N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| 4747 | 9829 | 50 | None | -5248 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 365 | 4 | 1 | 5 | 4.0 | N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| 9216 | 9829 | 50 | None | -5248 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 365 | 4 | 1 | 5 | 4.0 | N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL251940 | 9829 | 50 | None | -5248 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 365 | 4 | 1 | 5 | 4.0 | N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| DB01608 | 9829 | 50 | None | -5248 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 365 | 4 | 1 | 5 | 4.0 | N#Cc1ccc2c(c1)N(CCCN1CCC(CC1)O)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | ||
| 3356 | 9060 | 73 | None | -165 | 2 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1038/s41467-023-40064-9 | ||
| 4326 | 9060 | 73 | None | -165 | 2 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1038/s41467-023-40064-9 | ||
| 9867642 | 9060 | 73 | None | -165 | 2 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1038/s41467-023-40064-9 | ||
| CHEMBL426559 | 9060 | 73 | None | -165 | 2 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1038/s41467-023-40064-9 | ||
| DB11629 | 9060 | 73 | None | -165 | 2 | Human | 6.8 | pAC50 | = | 6.8 | Functional | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1038/s41467-023-40064-9 | ||
| 2805 | 168669 | 38 | None | -51 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 329 | 6 | 0 | 2 | 4.9 | Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL415087 | 168669 | 38 | None | -51 | 9 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 329 | 6 | 0 | 2 | 4.9 | Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL343448 | 218479 | 43 | None | - | 1 | Human | 5.8 | pAC50 | = | 5.8 | Functional | ChEMBL | None | None | None | C/C=C1\NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O | 10.1038/s41467-023-40064-9 | ||||
| 8609 | 21216 | 66 | None | -1 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 229 | 2 | 2 | 4 | 2.2 | Nc1ccc(C(=O)Oc2ccccc2)c(O)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200868 | 21216 | 66 | None | -1 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 229 | 2 | 2 | 4 | 2.2 | Nc1ccc(C(=O)Oc2ccccc2)c(O)c1 | 10.1038/s41467-023-40064-9 | ||
| 25102847 | 84996 | 93 | None | -8 | 10 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 501 | 8 | 2 | 6 | 5.5 | COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2105717 | 84996 | 93 | None | -8 | 10 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 501 | 8 | 2 | 6 | 5.5 | COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC | 10.1038/s41467-023-40064-9 | ||
| 16222096 | 87258 | 67 | None | -66 | 7 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 531 | 4 | 3 | 4 | 3.8 | O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2146883 | 87258 | 67 | None | -66 | 7 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 531 | 4 | 3 | 4 | 3.8 | O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1 | 10.1038/s41467-023-40064-9 | ||
| 5591 | 164310 | 90 | None | -10 | 17 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL408 | 164310 | 90 | None | -10 | 17 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | 441 | 5 | 2 | 6 | 4.4 | Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL508338 | 195745 | 0 | None | -194 | 15 | Human | 4.8 | pAC50 | = | 4.8 | Functional | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| 3598 | 194600 | 76 | None | -25 | 17 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL496 | 194600 | 76 | None | -25 | 17 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 404 | 2 | 2 | 2 | 6.6 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl | 10.1038/s41467-023-40064-9 | ||
| 6719 | 39442 | 39 | None | -4 | 4 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 340 | 4 | 0 | 3 | 4.1 | O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1413199 | 39442 | 39 | None | -4 | 4 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 340 | 4 | 0 | 3 | 4.1 | O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3397 | 212267 | 112 | None | -1 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 3.2 | CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL806 | 212267 | 112 | None | -1 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 3.2 | CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| 1613 | 9127 | 53 | None | -2290 | 34 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 205 | 9127 | 53 | None | -2290 | 34 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 3964 | 9127 | 53 | None | -2290 | 34 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL831 | 9127 | 53 | None | -2290 | 34 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| DB00408 | 9127 | 53 | None | -2290 | 34 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | ||
| 3476 | 47060 | 99 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 490 | 7 | 3 | 5 | 3.1 | CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)cc2)C1=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1481 | 47060 | 99 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 490 | 7 | 3 | 5 | 3.1 | CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)cc2)C1=O | 10.1038/s41467-023-40064-9 | ||
| 9846332 | 58833 | 37 | None | -1 | 3 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 444 | 2 | 3 | 5 | 2.4 | C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C(Cl)=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1587228 | 58833 | 37 | None | -1 | 3 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 444 | 2 | 3 | 5 | 2.4 | C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C(Cl)=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO | 10.1038/s41467-023-40064-9 | ||
| 31101 | 7516 | 40 | None | -6606 | 29 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 35 | 7516 | 40 | None | -6606 | 29 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 403 | 7516 | 40 | None | -6606 | 29 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL493 | 7516 | 40 | None | -6606 | 29 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| DB01200 | 7516 | 40 | None | -6606 | 29 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | ||
| 242 | 7258 | 124 | None | -758 | 32 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 34 | 7258 | 124 | None | -758 | 32 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 60795 | 7258 | 124 | None | -758 | 32 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1112 | 7258 | 124 | None | -758 | 32 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| DB01238 | 7258 | 124 | None | -758 | 32 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 16362 | 9899 | 71 | None | -2089 | 35 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2172 | 9899 | 71 | None | -2089 | 35 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 90 | 9899 | 71 | None | -2089 | 35 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1423 | 9899 | 71 | None | -2089 | 35 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB01100 | 9899 | 71 | None | -2089 | 35 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 135398737 | 7745 | 93 | None | -9332 | 43 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 38 | 7745 | 93 | None | -9332 | 43 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 722 | 7745 | 93 | None | -9332 | 43 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL42 | 7745 | 93 | None | -9332 | 43 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB00363 | 7745 | 93 | None | -9332 | 43 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 16564 | 211774 | 32 | None | -134 | 6 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 207 | 2 | 3 | 3 | 0.3 | N=C(N)NCC1COc2ccccc2O1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL76725 | 211774 | 32 | None | -134 | 6 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 207 | 2 | 3 | 3 | 0.3 | N=C(N)NCC1COc2ccccc2O1 | 10.1038/s41467-023-40064-9 | ||
| 4037 | 195795 | 60 | None | -1 | 4 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 295 | 3 | 2 | 2 | 4.7 | Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL509 | 195795 | 60 | None | -1 | 4 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 295 | 3 | 2 | 2 | 4.7 | Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL876 | 195795 | 60 | None | -1 | 4 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 295 | 3 | 2 | 2 | 4.7 | Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl | 10.1038/s41467-023-40064-9 | ||
| 441383 | 27105 | 57 | None | -208 | 20 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1306 | 27105 | 57 | None | -208 | 20 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 446156 | 46599 | 29 | None | 1 | 3 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 459 | 11 | 3 | 5 | 4.9 | COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c1-c1ccc(F)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1477 | 46599 | 29 | None | 1 | 3 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 459 | 11 | 3 | 5 | 4.9 | COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c1-c1ccc(F)cc1 | 10.1038/s41467-023-40064-9 | ||
| 11057 | 182928 | 23 | None | -3 | 25 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 3468 | 182928 | 23 | None | -3 | 25 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL459265 | 182928 | 23 | None | -3 | 25 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL64894 | 182928 | 23 | None | -3 | 25 | Human | 5.7 | pAC50 | = | 5.7 | Functional | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 3336 | 101776 | 30 | None | -4265 | 14 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 315 | 7 | 1 | 1 | 5.6 | CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1405922 | 101776 | 30 | None | -4265 | 14 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 315 | 7 | 1 | 1 | 5.6 | CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL254832 | 101776 | 30 | None | -4265 | 14 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 315 | 7 | 1 | 1 | 5.6 | CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3606 | 210267 | 60 | None | -2 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 270 | 5 | 2 | 2 | 4.8 | CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL6615 | 210267 | 60 | None | -2 | 8 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 270 | 5 | 2 | 2 | 4.8 | CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 667492 | 50679 | 43 | None | -1 | 4 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 234 | 1 | 2 | 3 | 0.2 | CN1C(=O)/C(=N\NC(N)=S)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1512080 | 50679 | 43 | None | -1 | 4 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 234 | 1 | 2 | 3 | 0.2 | CN1C(=O)/C(=N\NC(N)=S)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 60663 | 182448 | 42 | None | -29 | 12 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1421212 | 182448 | 42 | None | -29 | 12 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1534525 | 182448 | 42 | None | -29 | 12 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL45816 | 182448 | 42 | None | -29 | 12 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 495 | 11 | 1 | 5 | 5.3 | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL4743867 | 220812 | 14 | None | -4466 | 15 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | None | None | None | OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||||
| 3952 | 8669 | 38 | None | -2570 | 21 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 10.1038/s41467-023-40064-9 | ||
| 5353646 | 8669 | 38 | None | -2570 | 21 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 10.1038/s41467-023-40064-9 | ||
| 5443 | 8669 | 38 | None | -2570 | 21 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 10.1038/s41467-023-40064-9 | ||
| 5702063 | 8669 | 38 | None | -2570 | 21 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1331786 | 8669 | 38 | None | -2570 | 21 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL420 | 8669 | 38 | None | -2570 | 21 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 230 | 2 | 2 | 2 | 1.6 | NC(=N/N=C\c1c(Cl)cccc1Cl)N | 10.1038/s41467-023-40064-9 | ||
| 5280795 | 11601 | 69 | None | -1 | 3 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 384 | 6 | 1 | 1 | 7.6 | C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1042 | 11601 | 69 | None | -1 | 3 | Human | 4.7 | pAC50 | = | 4.7 | Functional | ChEMBL | 384 | 6 | 1 | 1 | 7.6 | C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]12 | 10.1038/s41467-023-40064-9 | ||
| 213046 | 9164 | 59 | None | -1445 | 17 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
| 4168 | 9164 | 59 | None | -1445 | 17 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
| 7461 | 9164 | 59 | None | -1445 | 17 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1237021 | 9164 | 59 | None | -1445 | 17 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
| DB08815 | 9164 | 59 | None | -1445 | 17 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 492 | 5 | 0 | 6 | 4.3 | O=C1N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1 | 10.1038/s41467-023-40064-9 | ||
| 13791 | 50565 | 67 | None | -3 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 356 | 4 | 1 | 3 | 5.4 | CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1511 | 50565 | 67 | None | -3 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 356 | 4 | 1 | 3 | 5.4 | CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C | 10.1038/s41467-023-40064-9 | ||
| 3634 | 90883 | 51 | None | -16 | 9 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 356 | 7 | 2 | 5 | 3.7 | CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL22077 | 90883 | 51 | None | -16 | 9 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 356 | 7 | 2 | 5 | 3.7 | CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12 | 10.1038/s41467-023-40064-9 | ||
| 5625 | 206447 | 72 | None | -1 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 456 | 6 | 3 | 6 | 2.7 | CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL593 | 206447 | 72 | None | -1 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 456 | 6 | 3 | 6 | 2.7 | CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 | 10.1038/s41467-023-40064-9 | ||
| 6231 | 36543 | 33 | None | -8 | 4 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 298 | 0 | 1 | 2 | 3.6 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1387 | 36543 | 33 | None | -8 | 4 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 298 | 0 | 1 | 2 | 3.6 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | ||
| 277 | 8083 | 62 | None | -25118 | 29 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 2913 | 8083 | 62 | None | -25118 | 29 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 765 | 8083 | 62 | None | -25118 | 29 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL516 | 8083 | 62 | None | -25118 | 29 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| DB00434 | 8083 | 62 | None | -25118 | 29 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | 10.1038/s41467-023-40064-9 | ||
| 2580 | 85170 | 18 | None | -1174 | 10 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 446 | 6 | 1 | 4 | 4.1 | NC(=O)C1(N2CCCCC2)CCN(CCCN2c3ccccc3CCc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2110775 | 85170 | 18 | None | -1174 | 10 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 446 | 6 | 1 | 4 | 4.1 | NC(=O)C1(N2CCCCC2)CCN(CCCN2c3ccccc3CCc3ccccc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| 31703 | 201496 | 63 | None | -38 | 9 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL359744 | 201496 | 63 | None | -38 | 9 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL53463 | 201496 | 63 | None | -38 | 9 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
| 222528 | 8150 | 81 | None | -144 | 2 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C | 10.1038/s41467-023-40064-9 | ||
| 4988 | 8150 | 81 | None | -144 | 2 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C | 10.1038/s41467-023-40064-9 | ||
| 610 | 8150 | 81 | None | -144 | 2 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL406393 | 8150 | 81 | None | -144 | 2 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C | 10.1038/s41467-023-40064-9 | ||
| DB03619 | 8150 | 81 | None | -144 | 2 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 392 | 4 | 3 | 3 | 4.5 | O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C | 10.1038/s41467-023-40064-9 | ||
| 21700 | 7380 | 53 | None | -4897 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 520 | 6 | 1 | 7 | 4.1 | CCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl)C(=O)COC(=O)CC | 10.1038/s41467-023-40064-9 | ||
| 294 | 7380 | 53 | None | -4897 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 520 | 6 | 1 | 7 | 4.1 | CCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl)C(=O)COC(=O)CC | 10.1038/s41467-023-40064-9 | ||
| 5894 | 7380 | 53 | None | -4897 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 520 | 6 | 1 | 7 | 4.1 | CCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl)C(=O)COC(=O)CC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200500 | 7380 | 53 | None | -4897 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 520 | 6 | 1 | 7 | 4.1 | CCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl)C(=O)COC(=O)CC | 10.1038/s41467-023-40064-9 | ||
| DB00394 | 7380 | 53 | None | -4897 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 520 | 6 | 1 | 7 | 4.1 | CCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl)C(=O)COC(=O)CC | 10.1038/s41467-023-40064-9 | ||
| 65646 | 128079 | 26 | None | -2 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 461 | 6 | 2 | 9 | 0.8 | Cc1oc(=O)oc1COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3580454 | 128079 | 26 | None | -2 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 461 | 6 | 2 | 9 | 0.8 | Cc1oc(=O)oc1COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C | 10.1038/s41467-023-40064-9 | ||
| 4167 | 21272 | 43 | None | -4677 | 10 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 309 | 2 | 0 | 2 | 5.0 | CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201342 | 21272 | 43 | None | -4677 | 10 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 309 | 2 | 0 | 2 | 5.0 | CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1 | 10.1038/s41467-023-40064-9 | ||
| 9051 | 21214 | 67 | None | -5 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 312 | 1 | 0 | 2 | 4.5 | CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1200853 | 21214 | 67 | None | -5 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 312 | 1 | 0 | 2 | 4.5 | CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C | 10.1038/s41467-023-40064-9 | ||
| 1054 | 9691 | 85 | None | -83 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 10.1038/s41467-023-40064-9 | ||
| 3400 | 9691 | 85 | None | -83 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 10.1038/s41467-023-40064-9 | ||
| 445639 | 9691 | 85 | None | -83 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL8659 | 9691 | 85 | None | -83 | 5 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 10.1038/s41467-023-40064-9 | ||
| 2749 | 39417 | 101 | None | -1 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 207 | 1 | 1 | 3 | 2.4 | Cc1cc(C2CCCCC2)n(O)c(=O)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1413 | 39417 | 101 | None | -1 | 3 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 207 | 1 | 1 | 3 | 2.4 | Cc1cc(C2CCCCC2)n(O)c(=O)c1 | 10.1038/s41467-023-40064-9 | ||
| 72287 | 67835 | 38 | None | -1862 | 9 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 328 | 5 | 0 | 4 | 4.5 | COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1764 | 67835 | 38 | None | -1862 | 9 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 328 | 5 | 0 | 4 | 4.5 | COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| 180 | 7189 | 56 | None | -56234 | 38 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 200 | 7189 | 56 | None | -56234 | 38 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 2160 | 7189 | 56 | None | -56234 | 38 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL629 | 7189 | 56 | None | -56234 | 38 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| DB00321 | 7189 | 56 | None | -56234 | 38 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 10.1038/s41467-023-40064-9 | ||
| 134780 | 175147 | 131 | None | - | 1 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 273 | 1 | 2 | 5 | -0.3 | Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL43452 | 175147 | 131 | None | - | 1 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 273 | 1 | 2 | 5 | -0.3 | Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O | 10.1038/s41467-023-40064-9 | ||
| 2406 | 107180 | 89 | None | -162 | 17 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL290106 | 107180 | 89 | None | -162 | 17 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 354 | 2 | 2 | 3 | 5.9 | Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O | 10.1038/s41467-023-40064-9 | ||
| 1884 | 9857 | 52 | None | -331 | 9 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 5280363 | 9857 | 52 | None | -331 | 9 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 912 | 9857 | 52 | None | -331 | 9 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL815 | 9857 | 52 | None | -331 | 9 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10.1038/s41467-023-40064-9 | ||
| DB12789 | 9857 | 52 | None | -331 | 9 | Human | 5.6 | pAC50 | = | 5.6 | Functional | ChEMBL | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10.1038/s41467-023-40064-9 | ||
| 1440 | 8808 | 119 | None | -72 | 7 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| 1909 | 8808 | 119 | None | -72 | 7 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| 3715 | 8808 | 119 | None | -72 | 7 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL6 | 8808 | 119 | None | -72 | 7 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| DB00328 | 8808 | 119 | None | -72 | 7 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 357 | 4 | 1 | 4 | 3.9 | COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C | 10.1038/s41467-023-40064-9 | ||
| 2723 | 160825 | 108 | None | -15 | 4 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 156 | 0 | 1 | 1 | 2.7 | Cc1cc(O)cc(C)c1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL398440 | 160825 | 108 | None | -15 | 4 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 156 | 0 | 1 | 1 | 2.7 | Cc1cc(O)cc(C)c1Cl | 10.1038/s41467-023-40064-9 | ||
| 4756 | 23421 | 50 | None | -14 | 16 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 213 | 2 | 2 | 5 | 2.7 | Nc1ccc(/N=N/c2ccccc2)c(N)n1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201022 | 23421 | 50 | None | -14 | 16 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 213 | 2 | 2 | 5 | 2.7 | Nc1ccc(/N=N/c2ccccc2)c(N)n1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1242 | 23421 | 50 | None | -14 | 16 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 213 | 2 | 2 | 5 | 2.7 | Nc1ccc(/N=N/c2ccccc2)c(N)n1 | 10.1038/s41467-023-40064-9 | ||
| 9324 | 16010 | 60 | None | -5 | 6 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 404 | 2 | 0 | 4 | 4.8 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL110691 | 16010 | 60 | None | -5 | 6 | Human | 4.6 | pAC50 | = | 4.6 | Functional | ChEMBL | 404 | 2 | 0 | 4 | 4.8 | CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | ||
| 108143 | 101356 | 107 | None | 1 | 2 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 351 | 3 | 2 | 2 | 5.0 | CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL25202 | 101356 | 107 | None | 1 | 2 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 351 | 3 | 2 | 2 | 5.0 | CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21 | 10.1038/s41467-023-40064-9 | ||
| 1599 | 9120 | 50 | None | -15488 | 21 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3955 | 9120 | 50 | None | -15488 | 21 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 7215 | 9120 | 50 | None | -15488 | 21 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL841 | 9120 | 50 | None | -15488 | 21 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB00836 | 9120 | 50 | None | -15488 | 21 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 476 | 7 | 1 | 3 | 5.1 | Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 6237 | 93579 | 46 | None | -3 | 8 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 518 | 3 | 1 | 3 | 5.1 | CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL232201 | 93579 | 46 | None | -3 | 8 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 518 | 3 | 1 | 3 | 5.1 | CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1 | 10.1038/s41467-023-40064-9 | ||
| 24765256 | 180076 | 23 | None | -2 | 4 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 757 | 6 | 3 | 9 | 3.9 | CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL4525964 | 180076 | 23 | None | -2 | 4 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 757 | 6 | 3 | 9 | 3.9 | CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1 | 10.1038/s41467-023-40064-9 | ||
| 4229 | 10507 | 57 | None | - | 1 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 452 | 12 | 2 | 5 | 4.7 | CC(OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/C(COc1ccccc1)(F)F)O)C | 10.1038/s41467-023-40064-9 | ||
| 7451 | 10507 | 57 | None | - | 1 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 452 | 12 | 2 | 5 | 4.7 | CC(OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/C(COc1ccccc1)(F)F)O)C | 10.1038/s41467-023-40064-9 | ||
| 9868491 | 10507 | 57 | None | - | 1 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 452 | 12 | 2 | 5 | 4.7 | CC(OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/C(COc1ccccc1)(F)F)O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1963683 | 10507 | 57 | None | - | 1 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 452 | 12 | 2 | 5 | 4.7 | CC(OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/C(COc1ccccc1)(F)F)O)C | 10.1038/s41467-023-40064-9 | ||
| DB08819 | 10507 | 57 | None | - | 1 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 452 | 12 | 2 | 5 | 4.7 | CC(OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/C(COc1ccccc1)(F)F)O)C | 10.1038/s41467-023-40064-9 | ||
| 2028 | 9753 | 80 | None | -15135 | 14 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1038/s41467-023-40064-9 | ||
| 359 | 9753 | 80 | None | -15135 | 14 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1038/s41467-023-40064-9 | ||
| 4634 | 9753 | 80 | None | -15135 | 14 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1231 | 9753 | 80 | None | -15135 | 14 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1038/s41467-023-40064-9 | ||
| DB01062 | 9753 | 80 | None | -15135 | 14 | Human | 4.5 | pAC50 | = | 4.5 | Functional | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1038/s41467-023-40064-9 | ||
| 24821094 | 73868 | 93 | None | 1 | 8 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 440 | 5 | 1 | 7 | 4.2 | C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1873475 | 73868 | 93 | None | 1 | 8 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 440 | 5 | 1 | 7 | 4.2 | C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | 10.1038/s41467-023-40064-9 | ||
| 2683 | 109665 | 25 | None | -338 | 24 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL305906 | 109665 | 25 | None | -338 | 24 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL334255 | 109665 | 25 | None | -338 | 24 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 242 | 7258 | 124 | None | -758 | 32 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 34 | 7258 | 124 | None | -758 | 32 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 60795 | 7258 | 124 | None | -758 | 32 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1112 | 7258 | 124 | None | -758 | 32 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| DB01238 | 7258 | 124 | None | -758 | 32 | Human | 5.5 | pAC50 | = | 5.5 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | ||
| 187 | 7043 | 39 | None | -7 | 8 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 294 | 7043 | 39 | None | -7 | 8 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 65 | 7043 | 39 | None | -7 | 8 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 8593 | 7043 | 39 | None | -7 | 8 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL667 | 7043 | 39 | None | -7 | 8 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | ||
| DB03128 | 7043 | 39 | None | -7 | 8 | Human | 6.5 | pAC50 | = | 6.5 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1038/s41467-023-40064-9 | ||
| 1570 | 64073 | 97 | None | -2 | 3 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 127 | 0 | 1 | 3 | 1.5 | On1ccccc1=S | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1650619 | 64073 | 97 | None | -2 | 3 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 127 | 0 | 1 | 3 | 1.5 | On1ccccc1=S | 10.1038/s41467-023-40064-9 | ||
| 5440 | 35497 | 37 | None | -1288 | 16 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1378 | 35497 | 37 | None | -1288 | 16 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 399 | 6 | 0 | 5 | 5.0 | CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2 | 10.1038/s41467-023-40064-9 | ||
| 123879 | 10060 | 82 | None | 1 | 6 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1038/s41467-023-40064-9 | ||
| 1910 | 10060 | 82 | None | 1 | 6 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1038/s41467-023-40064-9 | ||
| 1911 | 10060 | 82 | None | 1 | 6 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1038/s41467-023-40064-9 | ||
| 2354 | 10060 | 82 | None | 1 | 6 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1038/s41467-023-40064-9 | ||
| CHEMBL361812 | 10060 | 82 | None | 1 | 6 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1038/s41467-023-40064-9 | ||
| DB13036 | 10060 | 82 | None | 1 | 6 | Human | 7.4 | pAC50 | = | 7.4 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1038/s41467-023-40064-9 | ||
| 54758501 | 145845 | 58 | None | -1445 | 11 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 486 | 7 | 2 | 8 | 5.1 | C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3786343 | 145845 | 58 | None | -1445 | 11 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 486 | 7 | 2 | 8 | 5.1 | C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1 | 10.1038/s41467-023-40064-9 | ||
| 443869 | 84916 | 45 | None | -3 | 10 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 491 | 7 | 1 | 8 | 3.8 | COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2103761 | 84916 | 45 | None | -3 | 10 | Human | 5.4 | pAC50 | = | 5.4 | Functional | ChEMBL | 491 | 7 | 1 | 8 | 3.8 | COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | ||
| 392622 | 63086 | 95 | None | -7 | 20 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL163 | 63086 | 95 | None | -7 | 20 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | 10.1038/s41467-023-40064-9 | ||
| 1909 | 9598 | 64 | None | -11 | 11 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C | 10.1038/s41467-023-40064-9 | ||
| 2559 | 9598 | 64 | None | -11 | 11 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C | 10.1038/s41467-023-40064-9 | ||
| 4474 | 9598 | 64 | None | -11 | 11 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1484 | 9598 | 64 | None | -11 | 11 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3302409 | 9598 | 64 | None | -11 | 11 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C | 10.1038/s41467-023-40064-9 | ||
| DB00622 | 9598 | 64 | None | -11 | 11 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 479 | 9 | 1 | 8 | 3.7 | COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C | 10.1038/s41467-023-40064-9 | ||
| 3356 | 9060 | 73 | None | -165 | 2 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1038/s41467-023-40064-9 | ||
| 4326 | 9060 | 73 | None | -165 | 2 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1038/s41467-023-40064-9 | ||
| 9867642 | 9060 | 73 | None | -165 | 2 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1038/s41467-023-40064-9 | ||
| CHEMBL426559 | 9060 | 73 | None | -165 | 2 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1038/s41467-023-40064-9 | ||
| DB11629 | 9060 | 73 | None | -165 | 2 | Human | 8.2 | pAC50 | = | 8.2 | Functional | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1038/s41467-023-40064-9 | ||
| 54454 | 12030 | 88 | None | -3 | 14 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 418 | 6 | 1 | 5 | 4.6 | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1064 | 12030 | 88 | None | -3 | 14 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 418 | 6 | 1 | 5 | 4.6 | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | ||
| 25102847 | 84996 | 93 | None | -8 | 10 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 501 | 8 | 2 | 6 | 5.5 | COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2105717 | 84996 | 93 | None | -8 | 10 | Human | 5.3 | pAC50 | = | 5.3 | Functional | ChEMBL | 501 | 8 | 2 | 6 | 5.5 | COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC | 10.1038/s41467-023-40064-9 | ||
| 2162 | 48288 | 100 | None | -5 | 22 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1491 | 48288 | 100 | None | -5 | 22 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
| 448537 | 167029 | 89 | None | -35 | 31 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL411 | 167029 | 89 | None | -35 | 31 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | ||
| 82146 | 11302 | 113 | None | -2 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 348 | 3 | 1 | 1 | 6.1 | C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1023 | 11302 | 113 | None | -2 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 348 | 3 | 1 | 1 | 6.1 | C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C | 10.1038/s41467-023-40064-9 | ||
| 3397 | 212267 | 112 | None | -1 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 3.2 | CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL806 | 212267 | 112 | None | -1 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 276 | 3 | 1 | 3 | 3.2 | CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 | 10.1038/s41467-023-40064-9 | ||
| 24826799 | 17570 | 104 | None | -19 | 20 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 532 | 4 | 1 | 6 | 4.5 | Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1171837 | 17570 | 104 | None | -19 | 20 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 532 | 4 | 1 | 6 | 4.5 | Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 10.1038/s41467-023-40064-9 | ||
| 92727 | 211331 | 77 | None | -1 | 6 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 628 | 15 | 4 | 5 | 4.3 | Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL729 | 211331 | 77 | None | -1 | 6 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 628 | 15 | 4 | 5 | 4.3 | Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O | 10.1038/s41467-023-40064-9 | ||
| 11167602 | 77235 | 116 | None | -4 | 6 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 482 | 5 | 3 | 4 | 5.7 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1946170 | 77235 | 116 | None | -4 | 6 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 482 | 5 | 3 | 4 | 5.7 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1 | 10.1038/s41467-023-40064-9 | ||
| 1765 | 10589 | 98 | None | -100 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1038/s41467-023-40064-9 | ||
| 4184 | 10589 | 98 | None | -100 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1038/s41467-023-40064-9 | ||
| 9871419 | 10589 | 98 | None | -100 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1038/s41467-023-40064-9 | ||
| CHEMBL398435 | 10589 | 98 | None | -100 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1038/s41467-023-40064-9 | ||
| DB08816 | 10589 | 98 | None | -100 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 522 | 10 | 4 | 11 | 2.0 | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO | 10.1038/s41467-023-40064-9 | ||
| 2600 | 10551 | 74 | None | -190 | 32 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 2608 | 10551 | 74 | None | -190 | 32 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 5405 | 10551 | 74 | None | -190 | 32 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL17157 | 10551 | 74 | None | -190 | 32 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| DB00342 | 10551 | 74 | None | -190 | 32 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 9822750 | 85184 | 65 | None | -1 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2111097 | 85184 | 65 | None | -1 | 8 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | ||
| 5353853 | 24758 | 47 | None | -38 | 20 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| 9556529 | 24758 | 47 | None | -38 | 20 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1262 | 24758 | 47 | None | -38 | 20 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | ||
| 6719 | 39442 | 39 | None | -4 | 4 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 340 | 4 | 0 | 3 | 4.1 | O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1413199 | 39442 | 39 | None | -4 | 4 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 340 | 4 | 0 | 3 | 4.1 | O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 89683805 | 161212 | 67 | None | -2344 | 6 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 473 | 6 | 3 | 8 | 4.3 | CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3989908 | 161212 | 67 | None | -2344 | 6 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 473 | 6 | 3 | 8 | 4.3 | CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1 | 10.1038/s41467-023-40064-9 | ||
| 477468 | 182177 | 36 | None | 1 | 4 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 1269 | 18 | 16 | 23 | -3.9 | CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)no2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL457547 | 182177 | 36 | None | 1 | 4 | Human | 5.2 | pAC50 | = | 5.2 | Functional | ChEMBL | 1269 | 18 | 16 | 23 | -3.9 | CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)no2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 216237 | 10615 | 89 | None | -660 | 7 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | ||
| 2226 | 10615 | 89 | None | -660 | 7 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | ||
| 4110 | 10615 | 89 | None | -660 | 7 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL344159 | 10615 | 89 | None | -660 | 7 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1038/s41467-023-40064-9 | ||
| 115368 | 9830 | 47 | None | -2454 | 9 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 426 | 6 | 0 | 6 | 3.4 | O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1CCCC2 | 10.1038/s41467-023-40064-9 | ||
| 2112 | 9830 | 47 | None | -2454 | 9 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 426 | 6 | 0 | 6 | 3.4 | O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1CCCC2 | 10.1038/s41467-023-40064-9 | ||
| 7556 | 9830 | 47 | None | -2454 | 9 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 426 | 6 | 0 | 6 | 3.4 | O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1CCCC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1472975 | 9830 | 47 | None | -2454 | 9 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 426 | 6 | 0 | 6 | 3.4 | O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1CCCC2 | 10.1038/s41467-023-40064-9 | ||
| DB08922 | 9830 | 47 | None | -2454 | 9 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 426 | 6 | 0 | 6 | 3.4 | O=C1N(CCCCN2CCN(CC2)c2nsc3c2cccc3)C(=O)[C@@H]2[C@H]1CCCC2 | 10.1038/s41467-023-40064-9 | ||
| 34040 | 34858 | 72 | None | -2511 | 11 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 483 | 4 | 0 | 6 | 3.9 | CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1372950 | 34858 | 72 | None | -2511 | 11 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 483 | 4 | 0 | 6 | 3.9 | CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13 | 10.1038/s41467-023-40064-9 | ||
| 150311 | 16584 | 102 | None | -1 | 7 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 409 | 6 | 2 | 3 | 4.9 | O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1138 | 16584 | 102 | None | -1 | 7 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 409 | 6 | 2 | 3 | 4.9 | O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 | 10.1038/s41467-023-40064-9 | ||
| 3839 | 10529 | 84 | None | -794 | 2 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 411 | 4 | 1 | 6 | 3.4 | Cc1nc(C)c2c(n1)N(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)CC2 | 10.1038/s41467-023-40064-9 | ||
| 60919 | 10529 | 84 | None | -794 | 2 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 411 | 4 | 1 | 6 | 3.4 | Cc1nc(C)c2c(n1)N(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)CC2 | 10.1038/s41467-023-40064-9 | ||
| 6898 | 10529 | 84 | None | -794 | 2 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 411 | 4 | 1 | 6 | 3.4 | Cc1nc(C)c2c(n1)N(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)CC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL432162 | 10529 | 84 | None | -794 | 2 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 411 | 4 | 1 | 6 | 3.4 | Cc1nc(C)c2c(n1)N(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)CC2 | 10.1038/s41467-023-40064-9 | ||
| DB01349 | 10529 | 84 | None | -794 | 2 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 411 | 4 | 1 | 6 | 3.4 | Cc1nc(C)c2c(n1)N(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(=O)CC2 | 10.1038/s41467-023-40064-9 | ||
| 151537 | 169443 | 49 | None | -1 | 5 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
| 41867 | 169443 | 49 | None | -1 | 5 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL417 | 169443 | 49 | None | -1 | 5 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 543 | 5 | 6 | 12 | 0.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | ||
| 1726 | 9275 | 13 | None | -104 | 8 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1038/s41467-023-40064-9 | ||
| 1993 | 9275 | 13 | None | -104 | 8 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1038/s41467-023-40064-9 | ||
| 7438 | 9275 | 13 | None | -104 | 8 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL978 | 9275 | 13 | None | -104 | 8 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1038/s41467-023-40064-9 | ||
| DB06709 | 9275 | 13 | None | -104 | 8 | Human | 6.1 | pAC50 | = | 6.1 | Functional | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1038/s41467-023-40064-9 | ||
| 9853053 | 127297 | 74 | None | -5 | 9 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 693 | 10 | 2 | 3 | 8.4 | O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL354541 | 127297 | 74 | None | -5 | 9 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 693 | 10 | 2 | 3 | 8.4 | O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL4743867 | 220812 | 14 | None | -4466 | 15 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | None | None | None | OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||||
| 25151352 | 147384 | 67 | None | -24 | 11 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 417 | 5 | 2 | 4 | 5.2 | FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL3813873 | 147384 | 67 | None | -24 | 11 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 417 | 5 | 2 | 4 | 5.2 | FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1 | 10.1038/s41467-023-40064-9 | ||
| 11976 | 7707 | 59 | None | -2884 | 16 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | ||
| 667467 | 7707 | 59 | None | -2884 | 16 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL908 | 7707 | 59 | None | -2884 | 16 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | ||
| DB01239 | 7707 | 59 | None | -2884 | 16 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | 10.1038/s41467-023-40064-9 | ||
| 6324616 | 175603 | 25 | None | -1 | 3 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 697 | 2 | 6 | 12 | 4.8 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL437765 | 175603 | 25 | None | -1 | 3 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 697 | 2 | 6 | 12 | 4.8 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| 43082 | 67057 | 37 | None | -22 | 10 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 357 | 6 | 0 | 2 | 5.5 | CC(OCCN1CCCCCC1)(c1ccccc1)c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1742452 | 67057 | 37 | None | -22 | 10 | Human | 5.1 | pAC50 | = | 5.1 | Functional | ChEMBL | 357 | 6 | 0 | 2 | 5.5 | CC(OCCN1CCCCCC1)(c1ccccc1)c1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 9429 | 208912 | 58 | None | -977 | 18 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 446 | 6 | 0 | 6 | 3.2 | CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL609109 | 208912 | 58 | None | -977 | 18 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 446 | 6 | 0 | 6 | 3.2 | CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 | 10.1038/s41467-023-40064-9 | ||
| 5584 | 209990 | 44 | None | -537 | 9 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 294 | 4 | 0 | 2 | 4.1 | CC(CN(C)C)CN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL644 | 209990 | 44 | None | -537 | 9 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 294 | 4 | 0 | 2 | 4.1 | CC(CN(C)C)CN1c2ccccc2CCc2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 4829 | 206735 | 108 | None | -1 | 3 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 356 | 7 | 1 | 5 | 3.2 | CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL595 | 206735 | 108 | None | -1 | 3 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 356 | 7 | 1 | 5 | 3.2 | CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1 | 10.1038/s41467-023-40064-9 | ||
| 5832 | 21232 | 54 | None | -11 | 5 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 340 | 1 | 0 | 3 | 4.1 | C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201146 | 21232 | 54 | None | -11 | 5 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 340 | 1 | 0 | 3 | 4.1 | C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | ||
| 3474 | 44875 | 57 | None | -3 | 8 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 372 | 6 | 3 | 6 | 3.1 | O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL146095 | 44875 | 57 | None | -3 | 8 | Human | 5.0 | pAC50 | = | 5.0 | Functional | ChEMBL | 372 | 6 | 3 | 6 | 3.1 | O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41467-023-40064-9 | ||
| 108143 | 101356 | 107 | None | 1 | 2 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 351 | 3 | 2 | 2 | 5.0 | CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL25202 | 101356 | 107 | None | 1 | 2 | Human | 5.0 | pAC50 | = | 5 | Functional | ChEMBL | 351 | 3 | 2 | 2 | 5.0 | CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21 | 10.1038/s41467-023-40064-9 | ||
| 56839344 | 158830 | 0 | None | 10 | 8 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 656 | 13 | 2 | 9 | 5.1 | O=C(CCc1cc2c(cc1CN1CCC[C@H]1c1nc(C(=O)NCCCCC3CCCCC3)co1)OCO2)NS(=O)(=O)C(F)(F)F | nan | ||
| CHEMBL3967284 | 158830 | 0 | None | 10 | 8 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 656 | 13 | 2 | 9 | 5.1 | O=C(CCc1cc2c(cc1CN1CCC[C@H]1c1nc(C(=O)NCCCCC3CCCCC3)co1)OCO2)NS(=O)(=O)C(F)(F)F | nan | ||
| 118517359 | 151174 | 0 | None | -213 | 4 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | ||
| CHEMBL3906016 | 151174 | 0 | None | -213 | 4 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | ||
| 118517359 | 151174 | 0 | None | -213 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | ||
| CHEMBL3906016 | 151174 | 0 | None | -213 | 4 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 456 | 8 | 2 | 3 | 4.8 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 | nan | ||
| 11955193 | 150362 | 0 | None | -10 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 378 | 7 | 2 | 2 | 5.3 | CC(C)(C)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| CHEMBL3899346 | 150362 | 0 | None | -10 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 378 | 7 | 2 | 2 | 5.3 | CC(C)(C)c1ccc([C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 | nan | ||
| 1884 | 9857 | 52 | None | -331 | 9 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10.1016/s0960-894x(00)00273-0 | ||
| 5280363 | 9857 | 52 | None | -331 | 9 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10.1016/s0960-894x(00)00273-0 | ||
| 912 | 9857 | 52 | None | -331 | 9 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10.1016/s0960-894x(00)00273-0 | ||
| CHEMBL815 | 9857 | 52 | None | -331 | 9 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10.1016/s0960-894x(00)00273-0 | ||
| DB12789 | 9857 | 52 | None | -331 | 9 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10.1016/s0960-894x(00)00273-0 | ||
| 11955293 | 156620 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 394 | 8 | 2 | 4 | 4.3 | COC(=O)CCCCCC[C@@H]1[C@@H](c2ccc3c(c2)CCC3O)[C@H](O)C[C@H]1Cl | nan | ||
| CHEMBL3948932 | 156620 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 394 | 8 | 2 | 4 | 4.3 | COC(=O)CCCCCC[C@@H]1[C@@H](c2ccc3c(c2)CCC3O)[C@H](O)C[C@H]1Cl | nan | ||
| 11955358 | 159861 | 0 | None | 1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 364 | 8 | 2 | 2 | 4.7 | O=C(O)CCCCCC[C@@H]1[C@@H](c2ccc3c(c2)CCC3)[C@H](O)C[C@H]1Cl | nan | ||
| CHEMBL3976116 | 159861 | 0 | None | 1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 364 | 8 | 2 | 2 | 4.7 | O=C(O)CCCCCC[C@@H]1[C@@H](c2ccc3c(c2)CCC3)[C@H](O)C[C@H]1Cl | nan | ||
| 9825293 | 106831 | 9 | None | -83 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 456 | 11 | 4 | 4 | 4.1 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(00)00273-0 | ||
| CHEMBL287080 | 106831 | 9 | None | -83 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 456 | 11 | 4 | 4 | 4.1 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(00)00273-0 | ||
| 118517361 | 160149 | 0 | None | -123 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 446 | 8 | 2 | 3 | 5.1 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(C(F)(F)F)c2)cc1 | nan | ||
| CHEMBL3978590 | 160149 | 0 | None | -123 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 446 | 8 | 2 | 3 | 5.1 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(C(F)(F)F)c2)cc1 | nan | ||
| 6441607 | 161858 | 28 | None | 1 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 382 | 12 | 4 | 4 | 3.7 | CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O | 10.1016/s0960-894x(00)00273-0 | ||
| CHEMBL40183 | 161858 | 28 | None | 1 | 4 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 382 | 12 | 4 | 4 | 3.7 | CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O | 10.1016/s0960-894x(00)00273-0 | ||
| 1894 | 7744 | 41 | None | -891 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 424 | 11 | 4 | 5 | 3.2 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)Cl)O)O | 10.1016/s0960-894x(00)00273-0 | ||
| 5311053 | 7744 | 41 | None | -891 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 424 | 11 | 4 | 5 | 3.2 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)Cl)O)O | 10.1016/s0960-894x(00)00273-0 | ||
| CHEMBL37853 | 7744 | 41 | None | -891 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 424 | 11 | 4 | 5 | 3.2 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)Cl)O)O | 10.1016/s0960-894x(00)00273-0 | ||
| DB11507 | 7744 | 41 | None | -891 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 424 | 11 | 4 | 5 | 3.2 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)Cl)O)O | 10.1016/s0960-894x(00)00273-0 | ||
| 118517490 | 159934 | 0 | None | -977 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)c(F)c2)cc1 | nan | ||
| CHEMBL3976710 | 159934 | 0 | None | -977 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.4 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)c(F)c2)cc1 | nan | ||
| 11955294 | 151546 | 0 | None | -1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 380 | 8 | 3 | 3 | 4.2 | O=C(O)CCCCCC[C@@H]1[C@@H](c2ccc3c(c2)CCC3O)[C@H](O)C[C@H]1Cl | nan | ||
| CHEMBL3909111 | 151546 | 0 | None | -1 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 380 | 8 | 3 | 3 | 4.2 | O=C(O)CCCCCC[C@@H]1[C@@H](c2ccc3c(c2)CCC3O)[C@H](O)C[C@H]1Cl | nan | ||
| 5311239 | 137396 | 31 | None | -30 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 358 | 14 | 4 | 4 | 3.5 | CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O | 10.1016/s0960-894x(00)00273-0 | ||
| CHEMBL36817 | 137396 | 31 | None | -30 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 358 | 14 | 4 | 4 | 3.5 | CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O | 10.1016/s0960-894x(00)00273-0 | ||
| 11955384 | 154316 | 0 | None | -41 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 360 | 8 | 2 | 3 | 4.4 | CC(C)(C)c1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| CHEMBL3930718 | 154316 | 0 | None | -41 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 360 | 8 | 2 | 3 | 4.4 | CC(C)(C)c1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| 118517360 | 150753 | 0 | None | -2398 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 412 | 8 | 2 | 3 | 4.7 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Cl)c2)cc1 | nan | ||
| CHEMBL3902700 | 150753 | 0 | None | -2398 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 412 | 8 | 2 | 3 | 4.7 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Cl)c2)cc1 | nan | ||
| 11955357 | 155407 | 0 | None | 26 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 378 | 8 | 1 | 3 | 4.8 | COC(=O)CCCCCC[C@@H]1[C@@H](c2ccc3c(c2)CCC3)[C@H](O)C[C@H]1Cl | nan | ||
| CHEMBL3939358 | 155407 | 0 | None | 26 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 378 | 8 | 1 | 3 | 4.8 | COC(=O)CCCCCC[C@@H]1[C@@H](c2ccc3c(c2)CCC3)[C@H](O)C[C@H]1Cl | nan | ||
| 118517485 | 149528 | 0 | None | -2041 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)cc2)cc1 | nan | ||
| CHEMBL3892492 | 149528 | 0 | None | -2041 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)cc2)cc1 | nan | ||
| 92135977 | 159675 | 0 | None | -36307 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2)cc1 | nan | ||
| CHEMBL3974652 | 159675 | 0 | None | -36307 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.2 | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2)cc1 | nan | ||
| 1955 | 6805 | 1 | None | -3235 | 5 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 428 | 13 | 4 | 5 | 3.6 | O[C@@H](COc1cccc(c1)Cl)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(00)00273-0 | ||
| 5311240 | 6805 | 1 | None | -3235 | 5 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 428 | 13 | 4 | 5 | 3.6 | O[C@@H](COc1cccc(c1)Cl)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(00)00273-0 | ||
| CHEMBL36041 | 6805 | 1 | None | -3235 | 5 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 428 | 13 | 4 | 5 | 3.6 | O[C@@H](COc1cccc(c1)Cl)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1CCCCCCC(=O)O)O | 10.1016/s0960-894x(00)00273-0 | ||
| 58681361 | 151459 | 0 | None | 19 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 318 | 8 | 2 | 3 | 3.5 | Cc1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| CHEMBL3908432 | 151459 | 0 | None | 19 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 318 | 8 | 2 | 3 | 3.5 | Cc1ccc([C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)cc1 | nan | ||
| 117630978 | 122648 | 0 | None | - | 1 | Human | 10.8 | pIC50 | = | 10.8 | Functional | ChEMBL | 535 | 6 | 2 | 4 | 5.9 | Cc1cccc(C)c1C1=C(O)CC(Cc2cccc3c2CCC(NS(=O)(=O)c2ccc(Cl)cc2)C3)C1=O | 10.1021/ml5002085 | ||
| CHEMBL3354618 | 122648 | 0 | None | - | 1 | Human | 10.8 | pIC50 | = | 10.8 | Functional | ChEMBL | 535 | 6 | 2 | 4 | 5.9 | Cc1cccc(C)c1C1=C(O)CC(Cc2cccc3c2CCC(NS(=O)(=O)c2ccc(Cl)cc2)C3)C1=O | 10.1021/ml5002085 | ||
| 117631354 | 122646 | 0 | None | - | 1 | Human | 10.3 | pIC50 | = | 10.3 | Functional | ChEMBL | 537 | 7 | 2 | 5 | 5.3 | COc1ccc(C2=C(O)CC(Cc3cccc4c3CCC(NS(=O)(=O)c3ccc(Cl)cc3)C4)C2=O)cc1 | 10.1021/ml5002085 | ||
| CHEMBL3354616 | 122646 | 0 | None | - | 1 | Human | 10.3 | pIC50 | = | 10.3 | Functional | ChEMBL | 537 | 7 | 2 | 5 | 5.3 | COc1ccc(C2=C(O)CC(Cc3cccc4c3CCC(NS(=O)(=O)c3ccc(Cl)cc3)C4)C2=O)cc1 | 10.1021/ml5002085 | ||
| 131116 | 21515 | 3 | None | - | 1 | Rat | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 495 | 9 | 2 | 4 | 5.1 | CC(C)c1ccc2c(CCCCNS(=O)(=O)c3ccc(Cl)cc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL1206329 | 21515 | 3 | None | - | 1 | Rat | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 495 | 9 | 2 | 4 | 5.1 | CC(C)c1ccc2c(CCCCNS(=O)(=O)c3ccc(Cl)cc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL262655 | 21515 | 3 | None | - | 1 | Rat | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 495 | 9 | 2 | 4 | 5.1 | CC(C)c1ccc2c(CCCCNS(=O)(=O)c3ccc(Cl)cc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| 118714499 | 121284 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 379 | 5 | 2 | 3 | 2.8 | O=C(O)Cc1cccc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1021/ml5002085 | ||
| CHEMBL3335473 | 121284 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 379 | 5 | 2 | 3 | 2.8 | O=C(O)Cc1cccc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1021/ml5002085 | ||
| 15745527 | 209726 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 385 | 7 | 4 | 4 | 3.4 | O=C(O)CCC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccccc3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL62937 | 209726 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 385 | 7 | 4 | 4 | 3.4 | O=C(O)CCC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccccc3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 10764618 | 90027 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 420 | 10 | 3 | 5 | 3.2 | CN(C)CC/N=C(/NC#N)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| CHEMBL21874 | 90027 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 420 | 10 | 3 | 5 | 3.2 | CN(C)CC/N=C(/NC#N)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| 44387221 | 136868 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 326 | 11 | 1 | 3 | 4.5 | CCCCSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| CHEMBL367721 | 136868 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 326 | 11 | 1 | 3 | 4.5 | CCCCSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| 44385988 | 135797 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 370 | 13 | 2 | 4 | 4.3 | CCCCC(O)CSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| CHEMBL366990 | 135797 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 370 | 13 | 2 | 4 | 4.3 | CCCCC(O)CSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| 44353269 | 26821 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 367 | 8 | 1 | 5 | 3.5 | O=C(O)CCCCO/N=C(\c1cccc(C(F)(F)F)c1)c1cccnn1 | 10.1021/jm960341g | ||
| CHEMBL130365 | 26821 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 367 | 8 | 1 | 5 | 3.5 | O=C(O)CCCCO/N=C(\c1cccc(C(F)(F)F)c1)c1cccnn1 | 10.1021/jm960341g | ||
| 18921506 | 21434 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4 | Functional | ChEMBL | 407 | 8 | 2 | 3 | 3.9 | O=C(O)c1ccc2c(c1)CC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1205657 | 21434 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4 | Functional | ChEMBL | 407 | 8 | 2 | 3 | 3.9 | O=C(O)c1ccc2c(c1)CC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL130045 | 21434 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4 | Functional | ChEMBL | 407 | 8 | 2 | 3 | 3.9 | O=C(O)c1ccc2c(c1)CC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 16757078 | 99387 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 485 | 9 | 2 | 6 | 4.3 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Br)cc1 | 10.1021/jm070427h | ||
| CHEMBL243553 | 99387 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 485 | 9 | 2 | 6 | 4.3 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Br)cc1 | 10.1021/jm070427h | ||
| 71740443 | 98123 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 372 | 5 | 3 | 5 | 3.0 | Cc1ccccc1Nc1ccc(C#N)cc1S(=O)(=O)NC(=O)NC(C)C | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402428 | 98123 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 372 | 5 | 3 | 5 | 3.0 | Cc1ccccc1Nc1ccc(C#N)cc1S(=O)(=O)NC(=O)NC(C)C | 10.1016/j.ejmech.2013.04.033 | ||
| 15290037 | 21580 | 0 | None | -79 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 345 | 6 | 2 | 3 | 2.0 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccccc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1207044 | 21580 | 0 | None | -79 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 345 | 6 | 2 | 3 | 2.0 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccccc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL341221 | 21580 | 0 | None | -79 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 345 | 6 | 2 | 3 | 2.0 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccccc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 71740563 | 98131 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 400 | 8 | 3 | 5 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Nc1ccc(C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402436 | 98131 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 400 | 8 | 3 | 5 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Nc1ccc(C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 71740562 | 98130 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 386 | 4 | 3 | 5 | 3.4 | Cc1ccc(Nc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402435 | 98130 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 386 | 4 | 3 | 5 | 3.4 | Cc1ccc(Nc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 71456310 | 86486 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 489 | 11 | 1 | 4 | 6.0 | O=C(O)CC/C=C\CC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)C[S@+]([O-])[C@@H]1c1cccnc1 | 10.1016/S0960-894X(01)80103-7 | ||
| CHEMBL2115518 | 86486 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 489 | 11 | 1 | 4 | 6.0 | O=C(O)CC/C=C\CC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)C[S@+]([O-])[C@@H]1c1cccnc1 | 10.1016/S0960-894X(01)80103-7 | ||
| 71740181 | 98118 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 387 | 4 | 2 | 5 | 3.4 | Cc1cccc(Oc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)(C)C)c1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402423 | 98118 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 387 | 4 | 2 | 5 | 3.4 | Cc1cccc(Oc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)(C)C)c1 | 10.1016/j.ejmech.2013.04.033 | ||
| 16757178 | 100094 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 441 | 5 | 2 | 6 | 4.1 | Cc1cc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)ccc1Cl | 10.1021/jm070427h | ||
| CHEMBL245262 | 100094 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 441 | 5 | 2 | 6 | 4.1 | Cc1cc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)ccc1Cl | 10.1021/jm070427h | ||
| 16757487 | 100022 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 451 | 8 | 2 | 7 | 4.0 | CCCOc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm070427h | ||
| CHEMBL244819 | 100022 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 451 | 8 | 2 | 7 | 4.0 | CCCOc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm070427h | ||
| 6449876 | 105969 | 22 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 405 | 7 | 3 | 4 | 4.4 | CC(C)(C)/N=C(\NC#N)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| CHEMBL281398 | 105969 | 22 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 405 | 7 | 3 | 4 | 4.4 | CC(C)(C)/N=C(\NC#N)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| 117631017 | 122643 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 445 | 5 | 2 | 4 | 4.1 | CC1=C(O)CC(Cc2cccc3c2CCC(NS(=O)(=O)c2ccc(Cl)cc2)C3)C1=O | 10.1021/ml5002085 | ||
| CHEMBL3354613 | 122643 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 445 | 5 | 2 | 4 | 4.1 | CC1=C(O)CC(Cc2cccc3c2CCC(NS(=O)(=O)c2ccc(Cl)cc2)C3)C1=O | 10.1021/ml5002085 | ||
| 10601327 | 86844 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 496 | 9 | 3 | 4 | 5.9 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(N/C(=N\C2CCCC2)NC(=O)c2ccccc2)c1 | 10.1021/jm9707941 | ||
| CHEMBL21303 | 86844 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 496 | 9 | 3 | 4 | 5.9 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(N/C(=N\C2CCCC2)NC(=O)c2ccccc2)c1 | 10.1021/jm9707941 | ||
| 16757488 | 100060 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 437 | 7 | 2 | 7 | 3.6 | CCOc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm070427h | ||
| CHEMBL245037 | 100060 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 437 | 7 | 2 | 7 | 3.6 | CCOc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm070427h | ||
| 15018454 | 106215 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 369 | 9 | 2 | 3 | 3.3 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL282931 | 106215 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 369 | 9 | 2 | 3 | 3.3 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 44386321 | 67225 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 366 | 12 | 1 | 3 | 5.5 | CCC/C=C(\C)CSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| CHEMBL175285 | 67225 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 366 | 12 | 1 | 3 | 5.5 | CCC/C=C(\C)CSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| 10762387 | 26650 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 381 | 9 | 1 | 5 | 3.9 | O=C(O)CCCCCO/N=C(\c1cccc(C(F)(F)F)c1)c1ccncn1 | 10.1021/jm960341g | ||
| CHEMBL130236 | 26650 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 381 | 9 | 1 | 5 | 3.9 | O=C(O)CCCCCO/N=C(\c1cccc(C(F)(F)F)c1)c1ccncn1 | 10.1021/jm960341g | ||
| 10067523 | 26252 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 367 | 8 | 1 | 5 | 3.5 | O=C(O)CCCCO/N=C(\c1cccc(C(F)(F)F)c1)c1cnccn1 | 10.1021/jm960341g | ||
| CHEMBL129867 | 26252 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 367 | 8 | 1 | 5 | 3.5 | O=C(O)CCCCO/N=C(\c1cccc(C(F)(F)F)c1)c1cnccn1 | 10.1021/jm960341g | ||
| 16757178 | 100094 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 441 | 5 | 2 | 6 | 4.1 | Cc1cc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)ccc1Cl | 10.1021/jm070427h | ||
| CHEMBL245262 | 100094 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 441 | 5 | 2 | 6 | 4.1 | Cc1cc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)ccc1Cl | 10.1021/jm070427h | ||
| 118711723 | 120791 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 391 | 6 | 2 | 4 | 3.4 | O=C1CC(c2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C=C1O | 10.1016/j.bmcl.2014.07.047 | ||
| CHEMBL3326603 | 120791 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 391 | 6 | 2 | 4 | 3.4 | O=C1CC(c2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C=C1O | 10.1016/j.bmcl.2014.07.047 | ||
| 1976 | 10745 | 18 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 477 | 11 | 2 | 4 | 5.7 | OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)C[C@@H]([C@@H]1N1CCCCC1)O | 10.1016/S0960-894X(01)80103-7 | ||
| 6918030 | 10745 | 18 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 477 | 11 | 2 | 4 | 5.7 | OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)C[C@@H]([C@@H]1N1CCCCC1)O | 10.1016/S0960-894X(01)80103-7 | ||
| CHEMBL65030 | 10745 | 18 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 477 | 11 | 2 | 4 | 5.7 | OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)C[C@@H]([C@@H]1N1CCCCC1)O | 10.1016/S0960-894X(01)80103-7 | ||
| 15290037 | 21580 | 0 | None | 79 | 2 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 345 | 6 | 2 | 3 | 2.0 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccccc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1207044 | 21580 | 0 | None | 79 | 2 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 345 | 6 | 2 | 3 | 2.0 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccccc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL341221 | 21580 | 0 | None | 79 | 2 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 345 | 6 | 2 | 3 | 2.0 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccccc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 16757078 | 99387 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 485 | 9 | 2 | 6 | 4.3 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Br)cc1 | 10.1021/jm070427h | ||
| CHEMBL243553 | 99387 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 485 | 9 | 2 | 6 | 4.3 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Br)cc1 | 10.1021/jm070427h | ||
| 10619606 | 105829 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 377 | 7 | 2 | 4 | 3.4 | CN(C)/C(=N/c1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1)NC#N | 10.1021/jm9707941 | ||
| CHEMBL280380 | 105829 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 377 | 7 | 2 | 4 | 3.4 | CN(C)/C(=N/c1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1)NC#N | 10.1021/jm9707941 | ||
| 44353310 | 21437 | 0 | None | 14 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 351 | 6 | 2 | 3 | 2.3 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)C1CCCCC1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1205662 | 21437 | 0 | None | 14 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 351 | 6 | 2 | 3 | 2.3 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)C1CCCCC1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL130460 | 21437 | 0 | None | 14 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 351 | 6 | 2 | 3 | 2.3 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)C1CCCCC1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 44304350 | 209645 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 369 | 7 | 3 | 3 | 4.4 | O=C(O)CCC/C=C1/C[C@@H]2[C@@H](/C=N/NC(=O)Nc3ccccc3)CC[C@@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL62590 | 209645 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 369 | 7 | 3 | 3 | 4.4 | O=C(O)CCC/C=C1/C[C@@H]2[C@@H](/C=N/NC(=O)Nc3ccccc3)CC[C@@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 44291639 | 190679 | 0 | None | - | 1 | Rat | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 411 | 8 | 2 | 3 | 5.0 | CC(C)c1ccc2c(CCCS(=O)(=O)Nc3ccccc3)cc(C(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL48117 | 190679 | 0 | None | - | 1 | Rat | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 411 | 8 | 2 | 3 | 5.0 | CC(C)c1ccc2c(CCCS(=O)(=O)Nc3ccccc3)cc(C(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| 54757964 | 72226 | 0 | None | - | 1 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 419 | 8 | 2 | 4 | 4.0 | O=C1CCC(O)=C1CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/jm200980u | ||
| CHEMBL1829804 | 72226 | 0 | None | - | 1 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 419 | 8 | 2 | 4 | 4.0 | O=C1CCC(O)=C1CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/jm200980u | ||
| 11656254 | 84552 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 498 | 9 | 3 | 6 | 4.6 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(Br)c(C)c1 | 10.1021/jm060108a | ||
| CHEMBL209134 | 84552 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 498 | 9 | 3 | 6 | 4.6 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(Br)c(C)c1 | 10.1021/jm060108a | ||
| 5362391 | 105872 | 25 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 366 | 8 | 1 | 4 | 4.1 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 | 10.1016/S0960-894X(01)80104-9 | ||
| CHEMBL280728 | 105872 | 25 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 366 | 8 | 1 | 4 | 4.1 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 | 10.1016/S0960-894X(01)80104-9 | ||
| 11676121 | 85097 | 4 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 420 | 9 | 3 | 6 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(C)cc1 | 10.1021/jm060108a | ||
| CHEMBL210964 | 85097 | 4 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 420 | 9 | 3 | 6 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(C)cc1 | 10.1021/jm060108a | ||
| 44304384 | 109405 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 419 | 7 | 4 | 4 | 4.0 | O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3cccc(Cl)c3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL304254 | 109405 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 419 | 7 | 4 | 4 | 4.0 | O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3cccc(Cl)c3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 10503252 | 169971 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 440 | 9 | 3 | 5 | 4.2 | N#CN/C(=N/Cc1cccnc1)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| CHEMBL418188 | 169971 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 440 | 9 | 3 | 5 | 4.2 | N#CN/C(=N/Cc1cccnc1)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| 44273591 | 83501 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 353 | 8 | 2 | 3 | 3.0 | O=C(O)CC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL20659 | 83501 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 353 | 8 | 2 | 3 | 3.0 | O=C(O)CC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| 10762411 | 88661 | 1 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 381 | 7 | 3 | 3 | 4.7 | CC(C)(C)NC(=O)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| CHEMBL21647 | 88661 | 1 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 381 | 7 | 3 | 3 | 4.7 | CC(C)(C)NC(=O)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| 10717572 | 105473 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 431 | 8 | 3 | 4 | 4.9 | N#CN/C(=N/C1CCCCC1)Nc1ccc(/C(=C\CCCC(=O)O)c2cccnc2)cc1 | 10.1021/jm9707941 | ||
| CHEMBL277619 | 105473 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 431 | 8 | 3 | 4 | 4.9 | N#CN/C(=N/C1CCCCC1)Nc1ccc(/C(=C\CCCC(=O)O)c2cccnc2)cc1 | 10.1021/jm9707941 | ||
| 44385934 | 138232 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 352 | 12 | 1 | 3 | 5.1 | CCC/C=C/CSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| CHEMBL369153 | 138232 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 352 | 12 | 1 | 3 | 5.1 | CCC/C=C/CSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| 44387118 | 67588 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 346 | 9 | 1 | 3 | 4.8 | O=C(O)CCC/C=C\CC1C2CCC(O2)C1CSc1ccccc1 | 10.1021/jm00125a009 | ||
| CHEMBL176190 | 67588 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 346 | 9 | 1 | 3 | 4.8 | O=C(O)CCC/C=C\CC1C2CCC(O2)C1CSc1ccccc1 | 10.1021/jm00125a009 | ||
| 10542153 | 27383 | 1 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 299 | 8 | 1 | 5 | 2.5 | O=C(O)CCCCO/N=C(/c1ccccc1)c1ccnnc1 | 10.1021/jm960341g | ||
| CHEMBL130823 | 27383 | 1 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 299 | 8 | 1 | 5 | 2.5 | O=C(O)CCCCO/N=C(/c1ccccc1)c1ccnnc1 | 10.1021/jm960341g | ||
| 54669848 | 72228 | 0 | None | -42 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 419 | 7 | 2 | 4 | 3.8 | CC1=C(O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)CC1=O | 10.1021/jm200980u | ||
| CHEMBL1829806 | 72228 | 0 | None | -42 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 419 | 7 | 2 | 4 | 3.8 | CC1=C(O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)CC1=O | 10.1021/jm200980u | ||
| 9907162 | 21517 | 0 | None | -50 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 365 | 5 | 2 | 3 | 2.7 | O=C(O)c1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1206352 | 21517 | 0 | None | -50 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 365 | 5 | 2 | 3 | 2.7 | O=C(O)c1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL264516 | 21517 | 0 | None | -50 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 365 | 5 | 2 | 3 | 2.7 | O=C(O)c1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 71740182 | 98119 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 401 | 8 | 2 | 5 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1cccc(C)c1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402424 | 98119 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 401 | 8 | 2 | 5 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1cccc(C)c1 | 10.1016/j.ejmech.2013.04.033 | ||
| 10320462 | 21573 | 0 | None | -34 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 407 | 8 | 2 | 3 | 3.4 | O=C(O)CCCc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1207010 | 21573 | 0 | None | -34 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 407 | 8 | 2 | 3 | 3.4 | O=C(O)CCCc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL334501 | 21573 | 0 | None | -34 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 407 | 8 | 2 | 3 | 3.4 | O=C(O)CCCc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 71740183 | 98120 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 373 | 5 | 2 | 5 | 3.1 | Cc1ccc(Oc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402425 | 98120 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 373 | 5 | 2 | 5 | 3.1 | Cc1ccc(Oc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 16757177 | 151523 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 451 | 11 | 2 | 7 | 4.0 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OCC)cc1 | 10.1021/jm070427h | ||
| CHEMBL390897 | 151523 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 451 | 11 | 2 | 7 | 4.0 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OCC)cc1 | 10.1021/jm070427h | ||
| 11502680 | 105016 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 421 | 9 | 2 | 6 | 3.9 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | ||
| CHEMBL274415 | 105016 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 421 | 9 | 2 | 6 | 3.9 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | ||
| 18921488 | 21442 | 0 | None | 10 | 2 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 393 | 7 | 2 | 3 | 3.1 | O=C(O)CCc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1205669 | 21442 | 0 | None | 10 | 2 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 393 | 7 | 2 | 3 | 3.1 | O=C(O)CCc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL131894 | 21442 | 0 | None | 10 | 2 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 393 | 7 | 2 | 3 | 3.1 | O=C(O)CCc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 44304262 | 108879 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 387 | 7 | 4 | 5 | 2.2 | O=C(O)COC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccccc3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL302235 | 108879 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 387 | 7 | 4 | 5 | 2.2 | O=C(O)COC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccccc3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 11269563 | 148388 | 0 | None | -676 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 399 | 5 | 1 | 3 | 5.2 | CC(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1021/jm0603668 | ||
| CHEMBL385126 | 148388 | 0 | None | -676 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 399 | 5 | 1 | 3 | 5.2 | CC(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1021/jm0603668 | ||
| 44353308 | 21579 | 0 | None | 54 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 339 | 9 | 2 | 3 | 2.1 | CCCCCS(=O)(=O)NCC1Cc2ccc(CC(=O)O)cc2C1 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1207038 | 21579 | 0 | None | 54 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 339 | 9 | 2 | 3 | 2.1 | CCCCCS(=O)(=O)NCC1Cc2ccc(CC(=O)O)cc2C1 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL340073 | 21579 | 0 | None | 54 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 339 | 9 | 2 | 3 | 2.1 | CCCCCS(=O)(=O)NCC1Cc2ccc(CC(=O)O)cc2C1 | 10.1016/s0960-894x(99)00014-1 | ||
| 71450832 | 85276 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 367 | 8 | 1 | 5 | 3.5 | O=C(O)CCCCO/N=C(\c1cccc(C(F)(F)F)c1)c1ccncn1 | 10.1021/jm960341g | ||
| CHEMBL2111862 | 85276 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 367 | 8 | 1 | 5 | 3.5 | O=C(O)CCCCO/N=C(\c1cccc(C(F)(F)F)c1)c1ccncn1 | 10.1021/jm960341g | ||
| 44291597 | 21393 | 0 | None | - | 1 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 475 | 10 | 2 | 4 | 5.3 | CC(C)c1ccc2c(CCCCCS(=O)(=O)Nc3ccccc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL1205051 | 21393 | 0 | None | - | 1 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 475 | 10 | 2 | 4 | 5.3 | CC(C)c1ccc2c(CCCCCS(=O)(=O)Nc3ccccc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL47605 | 21393 | 0 | None | - | 1 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 475 | 10 | 2 | 4 | 5.3 | CC(C)c1ccc2c(CCCCCS(=O)(=O)Nc3ccccc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| 44353303 | 21438 | 0 | None | 2 | 2 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 381 | 6 | 2 | 4 | 2.2 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)O2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1205664 | 21438 | 0 | None | 2 | 2 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 381 | 6 | 2 | 4 | 2.2 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)O2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL131036 | 21438 | 0 | None | 2 | 2 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 381 | 6 | 2 | 4 | 2.2 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)O2 | 10.1016/s0960-894x(99)00014-1 | ||
| 71740057 | 98115 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 387 | 4 | 2 | 5 | 3.4 | Cc1ccccc1Oc1ccc(C#N)cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402420 | 98115 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 387 | 4 | 2 | 5 | 3.4 | Cc1ccccc1Oc1ccc(C#N)cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1016/j.ejmech.2013.04.033 | ||
| 18921526 | 21446 | 0 | None | -46 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 393 | 7 | 2 | 3 | 3.1 | O=C(O)Cc1ccc2c(c1)CC(CCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1205680 | 21446 | 0 | None | -46 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 393 | 7 | 2 | 3 | 3.1 | O=C(O)Cc1ccc2c(c1)CC(CCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL132659 | 21446 | 0 | None | -46 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 393 | 7 | 2 | 3 | 3.1 | O=C(O)Cc1ccc2c(c1)CC(CCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 44353169 | 26248 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 367 | 8 | 1 | 5 | 3.5 | O=C(O)CCCCO/N=C(/c1cncnc1)c1cccc(C(F)(F)F)c1 | 10.1021/jm960341g | ||
| CHEMBL129843 | 26248 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 367 | 8 | 1 | 5 | 3.5 | O=C(O)CCCCO/N=C(/c1cncnc1)c1cccc(C(F)(F)F)c1 | 10.1021/jm960341g | ||
| 23276771 | 28125 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 367 | 8 | 1 | 5 | 3.5 | O=C(O)CCCCO/N=C(/c1cccc(C(F)(F)F)c1)c1cnccn1 | 10.1021/jm960341g | ||
| CHEMBL131415 | 28125 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 367 | 8 | 1 | 5 | 3.5 | O=C(O)CCCCO/N=C(/c1cccc(C(F)(F)F)c1)c1cnccn1 | 10.1021/jm960341g | ||
| 44292126 | 21397 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 461 | 9 | 2 | 4 | 4.9 | CC(C)c1ccc2c(CCCCS(=O)(=O)Nc3ccccc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL1205057 | 21397 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 461 | 9 | 2 | 4 | 4.9 | CC(C)c1ccc2c(CCCCS(=O)(=O)Nc3ccccc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL48013 | 21397 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 461 | 9 | 2 | 4 | 4.9 | CC(C)c1ccc2c(CCCCS(=O)(=O)Nc3ccccc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| 44291705 | 108180 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 439 | 10 | 2 | 3 | 5.8 | CC(C)c1ccc2c(CCCCCS(=O)(=O)Nc3ccccc3)cc(C(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL297275 | 108180 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 439 | 10 | 2 | 3 | 5.8 | CC(C)c1ccc2c(CCCCCS(=O)(=O)Nc3ccccc3)cc(C(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| 51550 | 212529 | 14 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 335 | 8 | 2 | 4 | 1.7 | O=C(O)COc1ccc(CCNS(=O)(=O)c2ccccc2)cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL8273 | 212529 | 14 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 335 | 8 | 2 | 4 | 1.7 | O=C(O)COc1ccc(CCNS(=O)(=O)c2ccccc2)cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| 10780482 | 27689 | 1 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 299 | 8 | 1 | 5 | 2.5 | O=C(O)CCCCO/N=C(/c1ccccc1)c1ncccn1 | 10.1021/jm960341g | ||
| CHEMBL131078 | 27689 | 1 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 299 | 8 | 1 | 5 | 2.5 | O=C(O)CCCCO/N=C(/c1ccccc1)c1ncccn1 | 10.1021/jm960341g | ||
| 16756980 | 100056 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 471 | 5 | 2 | 6 | 3.9 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Br | 10.1021/jm070427h | ||
| CHEMBL245032 | 100056 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 471 | 5 | 2 | 6 | 3.9 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Br | 10.1021/jm070427h | ||
| 54757965 | 72054 | 0 | None | -9 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 353 | 8 | 2 | 3 | 2.8 | O=S(=O)(NCCc1cccc(CCCO)c1)c1ccc(Cl)cc1 | 10.1021/jm200980u | ||
| CHEMBL1828642 | 72054 | 0 | None | -9 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 353 | 8 | 2 | 3 | 2.8 | O=S(=O)(NCCc1cccc(CCCO)c1)c1ccc(Cl)cc1 | 10.1021/jm200980u | ||
| 16757174 | 100020 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 423 | 6 | 2 | 7 | 3.2 | COc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm070427h | ||
| CHEMBL244817 | 100020 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 423 | 6 | 2 | 7 | 3.2 | COc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm070427h | ||
| 16756978 | 99067 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 407 | 8 | 2 | 6 | 3.5 | CCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(C)c1 | 10.1021/jm070427h | ||
| CHEMBL242694 | 99067 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 407 | 8 | 2 | 6 | 3.5 | CCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(C)c1 | 10.1021/jm070427h | ||
| 71740559 | 98127 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 386 | 4 | 3 | 5 | 3.4 | Cc1cccc(Nc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)(C)C)c1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402432 | 98127 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 386 | 4 | 3 | 5 | 3.4 | Cc1cccc(Nc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)(C)C)c1 | 10.1016/j.ejmech.2013.04.033 | ||
| 10761205 | 90193 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 363 | 7 | 3 | 4 | 3.2 | C/N=C(/NC#N)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| CHEMBL21960 | 90193 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 363 | 7 | 3 | 4 | 3.2 | C/N=C(/NC#N)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| 6073 | 10557 | 49 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 407 | 6 | 2 | 3 | 3.5 | OC(=O)CCc1c(C)ccc2c1CC[C@H](C2)NS(=O)(=O)c1ccc(cc1)Cl | 10.1021/ml5002085 | ||
| 9938840 | 10557 | 49 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 407 | 6 | 2 | 3 | 3.5 | OC(=O)CCc1c(C)ccc2c1CC[C@H](C2)NS(=O)(=O)c1ccc(cc1)Cl | 10.1021/ml5002085 | ||
| CHEMBL2107786 | 10557 | 49 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 407 | 6 | 2 | 3 | 3.5 | OC(=O)CCc1c(C)ccc2c1CC[C@H](C2)NS(=O)(=O)c1ccc(cc1)Cl | 10.1021/ml5002085 | ||
| 18921488 | 21442 | 0 | None | -10 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 393 | 7 | 2 | 3 | 3.1 | O=C(O)CCc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1205669 | 21442 | 0 | None | -10 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 393 | 7 | 2 | 3 | 3.1 | O=C(O)CCc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL131894 | 21442 | 0 | None | -10 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 393 | 7 | 2 | 3 | 3.1 | O=C(O)CCc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 44304642 | 109018 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 421 | 7 | 4 | 5 | 2.9 | O=C(O)COC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3cccc(Cl)c3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL303114 | 109018 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 421 | 7 | 4 | 5 | 2.9 | O=C(O)COC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3cccc(Cl)c3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 44273499 | 105511 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 391 | 8 | 2 | 3 | 3.2 | O=C(O)CC/C=C/C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(F)cc2F)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL277940 | 105511 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 391 | 8 | 2 | 3 | 3.2 | O=C(O)CC/C=C/C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(F)cc2F)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 54757965 | 72054 | 0 | None | 9 | 2 | Mouse | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 353 | 8 | 2 | 3 | 2.8 | O=S(=O)(NCCc1cccc(CCCO)c1)c1ccc(Cl)cc1 | 10.1021/jm200980u | ||
| CHEMBL1828642 | 72054 | 0 | None | 9 | 2 | Mouse | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 353 | 8 | 2 | 3 | 2.8 | O=S(=O)(NCCc1cccc(CCCO)c1)c1ccc(Cl)cc1 | 10.1021/jm200980u | ||
| 11676145 | 84941 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 421 | 9 | 2 | 6 | 3.9 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1C | 10.1021/jm070427h | ||
| CHEMBL210415 | 84941 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 421 | 9 | 2 | 6 | 3.9 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1C | 10.1021/jm070427h | ||
| 16757380 | 99386 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 471 | 5 | 2 | 6 | 3.9 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Br)cc1 | 10.1021/jm070427h | ||
| CHEMBL243552 | 99386 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 471 | 5 | 2 | 6 | 3.9 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Br)cc1 | 10.1021/jm070427h | ||
| 71740180 | 98117 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 373 | 5 | 2 | 5 | 3.1 | Cc1cccc(Oc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)C)c1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402422 | 98117 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 373 | 5 | 2 | 5 | 3.1 | Cc1cccc(Oc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)C)c1 | 10.1016/j.ejmech.2013.04.033 | ||
| 16757377 | 156852 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.5 | Cc1cccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)c1 | 10.1021/jm070427h | ||
| CHEMBL395079 | 156852 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.5 | Cc1cccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)c1 | 10.1021/jm070427h | ||
| 9930263 | 106004 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 389 | 8 | 3 | 4 | 3.8 | N#CN/C(=N/C1CC1)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| CHEMBL281621 | 106004 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 389 | 8 | 3 | 4 | 3.8 | N#CN/C(=N/C1CC1)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| 15745526 | 85196 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 385 | 7 | 4 | 4 | 3.4 | O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccccc3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL2111524 | 85196 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 385 | 7 | 4 | 4 | 3.4 | O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccccc3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 44304279 | 109053 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 414 | 8 | 3 | 5 | 4.3 | O=C(O)CCC/C=C1/C[C@@H]2[C@@H](/C=N/NC(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL303284 | 109053 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 414 | 8 | 3 | 5 | 4.3 | O=C(O)CCC/C=C1/C[C@@H]2[C@@H](/C=N/NC(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 44304265 | 210071 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 439 | 6 | 4 | 4 | 4.3 | O=C(O)CC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL64723 | 210071 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 439 | 6 | 4 | 4 | 4.3 | O=C(O)CC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 44273542 | 105445 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 381 | 10 | 2 | 3 | 3.6 | O=C(O)CCC/C=C\CC1=CCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL277405 | 105445 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 381 | 10 | 2 | 3 | 3.6 | O=C(O)CCC/C=C\CC1=CCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| 44273435 | 106240 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 423 | 8 | 2 | 3 | 4.2 | O=C(O)CC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL283101 | 106240 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 423 | 8 | 2 | 3 | 4.2 | O=C(O)CC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 44273742 | 175985 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 373 | 10 | 2 | 4 | 2.4 | O=C(O)COCCCC[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL440772 | 175985 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 373 | 10 | 2 | 4 | 2.4 | O=C(O)COCCCC[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 10786712 | 89979 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 392 | 8 | 3 | 3 | 4.4 | N/C(=N/C1CCCC1)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| CHEMBL21851 | 89979 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 392 | 8 | 3 | 3 | 4.4 | N/C(=N/C1CCCC1)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| 5362391 | 105872 | 25 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 366 | 8 | 1 | 4 | 4.1 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 | 10.1021/jm9707941 | ||
| CHEMBL280728 | 105872 | 25 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 366 | 8 | 1 | 4 | 4.1 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 | 10.1021/jm9707941 | ||
| 11545850 | 77011 | 0 | None | -446 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 402 | 5 | 2 | 4 | 2.7 | O=C(O)Cn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2 | 10.1021/jm049036i | ||
| CHEMBL194085 | 77011 | 0 | None | -446 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 402 | 5 | 2 | 4 | 2.7 | O=C(O)Cn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2 | 10.1021/jm049036i | ||
| 5362391 | 105872 | 25 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 366 | 8 | 1 | 4 | 4.1 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 | 10.1021/jm960341g | ||
| CHEMBL280728 | 105872 | 25 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 366 | 8 | 1 | 4 | 4.1 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 | 10.1021/jm960341g | ||
| 44291864 | 188411 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 473 | 10 | 2 | 3 | 6.4 | CC(C)c1ccc2c(CCCCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(C(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL47743 | 188411 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 473 | 10 | 2 | 3 | 6.4 | CC(C)c1ccc2c(CCCCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(C(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL1829808 | 72230 | 0 | None | -18 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 433 | 8 | 2 | 4 | 4.2 | CCC1=C(O)CC(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1=O | 10.1021/jm200980u | ||
| 71740179 | 98116 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 401 | 8 | 2 | 5 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccccc1C | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402421 | 98116 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 401 | 8 | 2 | 5 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccccc1C | 10.1016/j.ejmech.2013.04.033 | ||
| 44353310 | 21437 | 0 | None | -14 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 351 | 6 | 2 | 3 | 2.3 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)C1CCCCC1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1205662 | 21437 | 0 | None | -14 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 351 | 6 | 2 | 3 | 2.3 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)C1CCCCC1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL130460 | 21437 | 0 | None | -14 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 351 | 6 | 2 | 3 | 2.3 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)C1CCCCC1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 54757768 | 72229 | 0 | None | - | 1 | Mouse | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 475 | 10 | 1 | 4 | 4.9 | CC1=C(OCC(C)C)CC(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1=O | 10.1021/jm200980u | ||
| CHEMBL1829807 | 72229 | 0 | None | - | 1 | Mouse | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 475 | 10 | 1 | 4 | 4.9 | CC1=C(OCC(C)C)CC(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1=O | 10.1021/jm200980u | ||
| CHEMBL1829810 | 72232 | 0 | None | 11 | 2 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 447 | 8 | 2 | 4 | 4.5 | CC(C)C1=C(O)CC(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1=O | 10.1021/jm200980u | ||
| 10524500 | 92280 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 391 | 8 | 3 | 4 | 4.0 | CC(C)/N=C(/NC#N)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| CHEMBL22721 | 92280 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 391 | 8 | 3 | 4 | 4.0 | CC(C)/N=C(/NC#N)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| 44305675 | 209753 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 505 | 11 | 1 | 5 | 5.6 | O=C(O)CC/C=C\CC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CS(=O)(=O)[C@@H]1c1cccnc1 | 10.1016/S0960-894X(01)80103-7 | ||
| CHEMBL63056 | 209753 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 505 | 11 | 1 | 5 | 5.6 | O=C(O)CC/C=C\CC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CS(=O)(=O)[C@@H]1c1cccnc1 | 10.1016/S0960-894X(01)80103-7 | ||
| 131717 | 210168 | 6 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 452 | 14 | 2 | 4 | 4.7 | O=C(O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 | 10.1016/S0960-894X(01)80103-7 | ||
| CHEMBL65414 | 210168 | 6 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 452 | 14 | 2 | 4 | 4.7 | O=C(O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 | 10.1016/S0960-894X(01)80103-7 | ||
| 131717 | 210168 | 6 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 452 | 14 | 2 | 4 | 4.7 | O=C(O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 | 10.1016/S0960-894X(01)80104-9 | ||
| CHEMBL65414 | 210168 | 6 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 452 | 14 | 2 | 4 | 4.7 | O=C(O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 | 10.1016/S0960-894X(01)80104-9 | ||
| 44304271 | 107497 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 421 | 7 | 4 | 5 | 2.9 | O=C(O)COC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3cccc(Cl)c3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL292601 | 107497 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 421 | 7 | 4 | 5 | 2.9 | O=C(O)COC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3cccc(Cl)c3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 44304264 | 108992 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 455 | 7 | 4 | 5 | 3.5 | O=C(O)COC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL302917 | 108992 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 455 | 7 | 4 | 5 | 3.5 | O=C(O)COC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 44304297 | 209946 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 437 | 7 | 3 | 3 | 5.7 | O=C(O)CCC/C=C1\C[C@@H]2[C@@H](/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)CC[C@@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL64229 | 209946 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 437 | 7 | 3 | 3 | 5.7 | O=C(O)CCC/C=C1\C[C@@H]2[C@@H](/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)CC[C@@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 44273351 | 80136 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 391 | 10 | 2 | 4 | 2.5 | O=C(O)COCCCC[C@@H]1[C@@H](NS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL20133 | 80136 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 391 | 10 | 2 | 4 | 2.5 | O=C(O)COCCCC[C@@H]1[C@@H](NS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 44273521 | 80720 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 414 | 10 | 2 | 5 | 3.2 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL20212 | 80720 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 414 | 10 | 2 | 5 | 3.2 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 44273448 | 81529 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 349 | 8 | 2 | 3 | 3.2 | Cc1ccc(S(=O)(=O)N[C@H]2CCC=C2C/C=C\CCC(=O)O)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL20308 | 81529 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 349 | 8 | 2 | 3 | 3.2 | Cc1ccc(S(=O)(=O)N[C@H]2CCC=C2C/C=C\CCC(=O)O)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| 44273415 | 82136 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 387 | 10 | 2 | 4 | 2.7 | Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](F)[C@@H]2CCCCOCC(=O)O)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL20376 | 82136 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 387 | 10 | 2 | 4 | 2.7 | Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](F)[C@@H]2CCCCOCC(=O)O)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| 44273414 | 105505 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 389 | 10 | 2 | 4 | 2.6 | O=C(O)COCCCCC1=CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL277879 | 105505 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 389 | 10 | 2 | 4 | 2.6 | O=C(O)COCCCCC1=CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1F | 10.1016/0960-894X(95)00199-4 | ||
| 44273570 | 105896 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 403 | 9 | 2 | 3 | 3.8 | O=C(O)CC/C=C\C[C@@H]1[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL280934 | 105896 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 403 | 9 | 2 | 3 | 3.8 | O=C(O)CC/C=C\C[C@@H]1[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 44273449 | 105964 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 409 | 10 | 2 | 4 | 2.6 | O=C(O)COCCCC[C@@H]1[C@@H](NS(=O)(=O)c2ccc(F)cc2F)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL281383 | 105964 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 409 | 10 | 2 | 4 | 2.6 | O=C(O)COCCCC[C@@H]1[C@@H](NS(=O)(=O)c2ccc(F)cc2F)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 23276768 | 123538 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 367 | 8 | 1 | 5 | 3.5 | O=C(O)CCCCO/N=C(\c1ccnnc1)c1cccc(C(F)(F)F)c1 | 10.1021/jm960341g | ||
| CHEMBL337607 | 123538 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 367 | 8 | 1 | 5 | 3.5 | O=C(O)CCCCO/N=C(\c1ccnnc1)c1cccc(C(F)(F)F)c1 | 10.1021/jm960341g | ||
| 11676145 | 84941 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 421 | 9 | 2 | 6 | 3.9 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1C | 10.1021/jm070427h | ||
| CHEMBL210415 | 84941 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 421 | 9 | 2 | 6 | 3.9 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1C | 10.1021/jm070427h | ||
| 6436053 | 105487 | 13 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 484 | 11 | 2 | 4 | 4.9 | O=C(O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm9707941 | ||
| CHEMBL277689 | 105487 | 13 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 484 | 11 | 2 | 4 | 4.9 | O=C(O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm9707941 | ||
| 44304290 | 109465 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 432 | 8 | 4 | 7 | 2.1 | O=C(O)COC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL304652 | 109465 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 432 | 8 | 4 | 7 | 2.1 | O=C(O)COC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 22882094 | 109534 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 439 | 6 | 4 | 4 | 4.3 | O=C(O)CC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL305114 | 109534 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 439 | 6 | 4 | 4 | 4.3 | O=C(O)CC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 10546960 | 210134 | 0 | None | -6 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 367 | 8 | 2 | 3 | 2.9 | O=C(O)CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2014.07.047 | ||
| CHEMBL65121 | 210134 | 0 | None | -6 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 367 | 8 | 2 | 3 | 2.9 | O=C(O)CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2014.07.047 | ||
| 44273404 | 80964 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 398 | 11 | 2 | 6 | 2.2 | O=C(O)COCCCCC1=CCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL20231 | 80964 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 398 | 11 | 2 | 6 | 2.2 | O=C(O)COCCCCC1=CCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] | 10.1016/0960-894X(95)00199-4 | ||
| 44273523 | 81220 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 369 | 8 | 2 | 3 | 3.5 | O=C(O)CC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL20274 | 81220 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 369 | 8 | 2 | 3 | 3.5 | O=C(O)CC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| 44273474 | 82732 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 399 | 9 | 2 | 3 | 4.4 | O=C(O)CCC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccc2ccccc2c1 | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL20524 | 82732 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 399 | 9 | 2 | 3 | 4.4 | O=C(O)CCC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccc2ccccc2c1 | 10.1016/0960-894X(95)00199-4 | ||
| 44273402 | 82734 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 387 | 9 | 2 | 3 | 3.3 | O=C(O)CC/C=C\C[C@@H]1[C@@H](CNS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL20525 | 82734 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 387 | 9 | 2 | 3 | 3.3 | O=C(O)CC/C=C\C[C@@H]1[C@@H](CNS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 44273387 | 83119 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 421 | 10 | 2 | 4 | 3.6 | O=C(O)COCCCCC1=CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL20590 | 83119 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 421 | 10 | 2 | 4 | 3.6 | O=C(O)COCCCCC1=CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/0960-894X(95)00199-4 | ||
| 44273502 | 86713 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 369 | 8 | 2 | 3 | 3.2 | Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](F)[C@@H]2C/C=C\CCC(=O)O)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL21255 | 86713 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 369 | 8 | 2 | 3 | 3.2 | Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](F)[C@@H]2C/C=C\CCC(=O)O)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| 44273588 | 105831 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 383 | 9 | 2 | 3 | 3.4 | Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@@H](F)[C@@H]2C/C=C\CCC(=O)O)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL280403 | 105831 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 383 | 9 | 2 | 3 | 3.4 | Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@@H](F)[C@@H]2C/C=C\CCC(=O)O)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| 44273780 | 105965 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 367 | 10 | 2 | 4 | 2.6 | Cc1ccc(S(=O)(=O)N[C@H]2CCC=C2CCCCOCC(=O)O)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL281385 | 105965 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 367 | 10 | 2 | 4 | 2.6 | Cc1ccc(S(=O)(=O)N[C@H]2CCC=C2CCCCOCC(=O)O)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| 44273522 | 173725 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 403 | 8 | 2 | 3 | 4.2 | O=C(O)CC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL428707 | 173725 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 403 | 8 | 2 | 3 | 4.2 | O=C(O)CC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/0960-894X(95)00199-4 | ||
| 44353290 | 21450 | 0 | None | - | 1 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 346 | 6 | 2 | 4 | 1.4 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1cccnc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1205689 | 21450 | 0 | None | - | 1 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 346 | 6 | 2 | 4 | 1.4 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1cccnc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL134128 | 21450 | 0 | None | - | 1 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 346 | 6 | 2 | 4 | 1.4 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1cccnc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 44385988 | 135797 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 370 | 13 | 2 | 4 | 4.3 | CCCCC(O)CSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| CHEMBL366990 | 135797 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 370 | 13 | 2 | 4 | 4.3 | CCCCC(O)CSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| 44292084 | 180948 | 0 | None | - | 1 | Rat | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 473 | 8 | 2 | 4 | 5.1 | CC(C)c1ccc2c(CCCC(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc(C(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL45471 | 180948 | 0 | None | - | 1 | Rat | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 473 | 8 | 2 | 4 | 5.1 | CC(C)c1ccc2c(CCCC(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc(C(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| 16756978 | 99067 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 407 | 8 | 2 | 6 | 3.5 | CCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(C)c1 | 10.1021/jm070427h | ||
| CHEMBL242694 | 99067 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 407 | 8 | 2 | 6 | 3.5 | CCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(C)c1 | 10.1021/jm070427h | ||
| 16757488 | 100060 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 437 | 7 | 2 | 7 | 3.6 | CCOc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm070427h | ||
| CHEMBL245037 | 100060 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 437 | 7 | 2 | 7 | 3.6 | CCOc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm070427h | ||
| 16757174 | 100020 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 423 | 6 | 2 | 7 | 3.2 | COc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm070427h | ||
| CHEMBL244817 | 100020 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 423 | 6 | 2 | 7 | 3.2 | COc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm070427h | ||
| 11488860 | 26063 | 0 | None | -7762 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 497 | 5 | 1 | 4 | 5.7 | C[C@@H](c1ccc(C(F)(F)F)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | ||
| CHEMBL1290413 | 26063 | 0 | None | -7762 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 497 | 5 | 1 | 4 | 5.7 | C[C@@H](c1ccc(C(F)(F)F)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | ||
| 16755884 | 100093 | 22 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 423 | 6 | 2 | 7 | 3.2 | COc1cccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)c1 | 10.1021/jm070427h | ||
| CHEMBL245261 | 100093 | 22 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 423 | 6 | 2 | 7 | 3.2 | COc1cccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)c1 | 10.1021/jm070427h | ||
| CHEMBL1829810 | 72232 | 0 | None | -11 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 447 | 8 | 2 | 4 | 4.5 | CC(C)C1=C(O)CC(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1=O | 10.1021/jm200980u | ||
| 44293931 | 108713 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 384 | 10 | 2 | 3 | 4.7 | C[C@@H](c1ccccc1)[C@H](O)/C=C/C1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00168a032 | ||
| CHEMBL301098 | 108713 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 384 | 10 | 2 | 3 | 4.7 | C[C@@H](c1ccccc1)[C@H](O)/C=C/C1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00168a032 | ||
| 163920 | 21447 | 12 | None | 165 | 2 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 365 | 5 | 2 | 3 | 2.4 | O=C(O)Cc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1205685 | 21447 | 12 | None | 165 | 2 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 365 | 5 | 2 | 3 | 2.4 | O=C(O)Cc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL133420 | 21447 | 12 | None | 165 | 2 | Rat | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 365 | 5 | 2 | 3 | 2.4 | O=C(O)Cc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 15291968 | 107667 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 393 | 6 | 2 | 3 | 3.2 | O=C(O)CCc1cccc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/j.bmcl.2014.07.047 | ||
| CHEMBL29374 | 107667 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 393 | 6 | 2 | 3 | 3.2 | O=C(O)CCc1cccc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/j.bmcl.2014.07.047 | ||
| 22882109 | 107510 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 453 | 7 | 4 | 4 | 4.7 | O=C(O)CCC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL292712 | 107510 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 453 | 7 | 4 | 4 | 4.7 | O=C(O)CCC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 22882097 | 174771 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 416 | 7 | 4 | 6 | 2.9 | O=C(O)CC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL431956 | 174771 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 416 | 7 | 4 | 6 | 2.9 | O=C(O)CC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 44304362 | 207646 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 432 | 8 | 4 | 7 | 2.1 | O=C(O)COC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL60128 | 207646 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 432 | 8 | 4 | 7 | 2.1 | O=C(O)COC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 44304641 | 209669 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 453 | 7 | 4 | 4 | 4.7 | O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL62702 | 209669 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 453 | 7 | 4 | 4 | 4.7 | O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 44273434 | 81219 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 419 | 9 | 2 | 3 | 4.4 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL20273 | 81219 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 419 | 9 | 2 | 3 | 4.4 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 44273540 | 86588 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 385 | 11 | 2 | 4 | 2.7 | O=C(O)COCCCCC1=CCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL21204 | 86588 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 385 | 11 | 2 | 4 | 2.7 | O=C(O)COCCCCC1=CCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| 44273792 | 106135 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 405 | 9 | 2 | 3 | 3.6 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(F)cc2F)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL282458 | 106135 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 405 | 9 | 2 | 3 | 3.6 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(F)cc2F)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 44273574 | 83780 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 355 | 8 | 2 | 3 | 2.9 | O=C(O)CC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL20711 | 83780 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 355 | 8 | 2 | 3 | 2.9 | O=C(O)CC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 44273796 | 84647 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 353 | 10 | 2 | 4 | 2.3 | O=C(O)COCCCCC1=CCC[C@@H]1NS(=O)(=O)c1ccccc1 | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL20933 | 84647 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 353 | 10 | 2 | 4 | 2.3 | O=C(O)COCCCCC1=CCC[C@@H]1NS(=O)(=O)c1ccccc1 | 10.1016/0960-894X(95)00199-4 | ||
| 44273805 | 85099 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 401 | 10 | 2 | 3 | 3.7 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](CNS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL21097 | 85099 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 401 | 10 | 2 | 3 | 3.7 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](CNS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 44273778 | 106165 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 371 | 10 | 2 | 4 | 2.5 | O=C(O)COCCCCC1=CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL282652 | 106165 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 371 | 10 | 2 | 4 | 2.5 | O=C(O)COCCCCC1=CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| 44273464 | 106384 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 400 | 9 | 2 | 4 | 3.8 | O=C(O)CCC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1cccc2cccnc12 | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL284019 | 106384 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 400 | 9 | 2 | 4 | 3.8 | O=C(O)CCC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1cccc2cccnc12 | 10.1016/0960-894X(95)00199-4 | ||
| 122197353 | 140243 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 420 | 9 | 2 | 4 | 3.8 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2cccc3cccnc23)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL3706741 | 140243 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 420 | 9 | 2 | 4 | 3.8 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2cccc3cccnc23)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 44273541 | 106037 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 371 | 8 | 2 | 3 | 3.1 | O=C(O)CC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL281825 | 106037 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 371 | 8 | 2 | 3 | 3.1 | O=C(O)CC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1F | 10.1016/0960-894X(95)00199-4 | ||
| 44386190 | 67193 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 390 | 12 | 1 | 4 | 4.8 | O=C(O)CCC/C=C\CC1C2CCC(O2)C1CSCCOc1ccccc1 | 10.1021/jm00125a009 | ||
| CHEMBL175076 | 67193 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 390 | 12 | 1 | 4 | 4.8 | O=C(O)CCC/C=C\CC1C2CCC(O2)C1CSCCOc1ccccc1 | 10.1021/jm00125a009 | ||
| 44386035 | 135449 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 366 | 10 | 1 | 3 | 5.3 | O=C(O)CCC/C=C\CC1C2CCC(O2)C1CSCC1CCCCC1 | 10.1021/jm00125a009 | ||
| CHEMBL366812 | 135449 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 366 | 10 | 1 | 3 | 5.3 | O=C(O)CCC/C=C\CC1C2CCC(O2)C1CSCC1CCCCC1 | 10.1021/jm00125a009 | ||
| 10637871 | 28590 | 1 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 299 | 8 | 1 | 5 | 2.5 | O=C(O)CCCCO/N=C(\c1ccccc1)c1cncnc1 | 10.1021/jm960341g | ||
| CHEMBL131949 | 28590 | 1 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 299 | 8 | 1 | 5 | 2.5 | O=C(O)CCCCO/N=C(\c1ccccc1)c1cncnc1 | 10.1021/jm960341g | ||
| 16757080 | 150958 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 441 | 9 | 2 | 6 | 4.2 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(Cl)c1 | 10.1021/jm070427h | ||
| CHEMBL390414 | 150958 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 441 | 9 | 2 | 6 | 4.2 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(Cl)c1 | 10.1021/jm070427h | ||
| 16757381 | 150701 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 427 | 5 | 2 | 6 | 3.8 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Cl | 10.1021/jm070427h | ||
| CHEMBL390216 | 150701 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 427 | 5 | 2 | 6 | 3.8 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Cl | 10.1021/jm070427h | ||
| 16757376 | 160266 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 393 | 6 | 2 | 6 | 3.1 | Cc1cccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)C)c1 | 10.1021/jm070427h | ||
| CHEMBL397964 | 160266 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 393 | 6 | 2 | 6 | 3.1 | Cc1cccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)C)c1 | 10.1021/jm070427h | ||
| 71740563 | 98131 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 400 | 8 | 3 | 5 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Nc1ccc(C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402436 | 98131 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 400 | 8 | 3 | 5 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Nc1ccc(C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 16757268 | 99062 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 431 | 5 | 2 | 7 | 3.2 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N/C(=N\C#N)NC(C)(C)C)cc1 | 10.1021/jm070427h | ||
| CHEMBL242687 | 99062 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 431 | 5 | 2 | 7 | 3.2 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N/C(=N\C#N)NC(C)(C)C)cc1 | 10.1021/jm070427h | ||
| 44273497 | 105539 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 389 | 8 | 2 | 3 | 3.5 | O=C(O)CC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL278100 | 105539 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 389 | 8 | 2 | 3 | 3.5 | O=C(O)CC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 10500543 | 89975 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 389 | 8 | 3 | 4 | 3.8 | N#CN/C(=N/C1CC1)Nc1ccc(/C(=C\CCCC(=O)O)c2cccnc2)cc1 | 10.1021/jm9707941 | ||
| CHEMBL21849 | 89975 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 389 | 8 | 3 | 4 | 3.8 | N#CN/C(=N/C1CC1)Nc1ccc(/C(=C\CCCC(=O)O)c2cccnc2)cc1 | 10.1021/jm9707941 | ||
| 10833696 | 175302 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 381 | 9 | 1 | 5 | 3.9 | O=C(O)CCCCCO/N=C(\c1ccnnc1)c1cccc(C(F)(F)F)c1 | 10.1021/jm960341g | ||
| CHEMBL435412 | 175302 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 381 | 9 | 1 | 5 | 3.9 | O=C(O)CCCCCO/N=C(\c1ccnnc1)c1cccc(C(F)(F)F)c1 | 10.1021/jm960341g | ||
| 16757083 | 149376 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 519 | 5 | 2 | 6 | 3.8 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(I)cc1 | 10.1021/jm070427h | ||
| CHEMBL389135 | 149376 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 519 | 5 | 2 | 6 | 3.8 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(I)cc1 | 10.1021/jm070427h | ||
| 54757771 | 72235 | 0 | None | -8 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 515 | 12 | 1 | 4 | 5.7 | CC(C)COC1=C(CC2CC2)C(=O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1 | 10.1021/jm200980u | ||
| CHEMBL1829813 | 72235 | 0 | None | -8 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 515 | 12 | 1 | 4 | 5.7 | CC(C)COC1=C(CC2CC2)C(=O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1 | 10.1021/jm200980u | ||
| 16757486 | 99986 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 533 | 9 | 2 | 6 | 4.2 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(I)cc1 | 10.1021/jm070427h | ||
| CHEMBL244608 | 99986 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 533 | 9 | 2 | 6 | 4.2 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(I)cc1 | 10.1021/jm070427h | ||
| 44305343 | 107458 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 473 | 11 | 1 | 4 | 6.9 | O=C(O)CC/C=C\CC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CS[C@@H]1c1cccnc1 | 10.1016/S0960-894X(01)80103-7 | ||
| CHEMBL292331 | 107458 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 473 | 11 | 1 | 4 | 6.9 | O=C(O)CC/C=C\CC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CS[C@@H]1c1cccnc1 | 10.1016/S0960-894X(01)80103-7 | ||
| 10409713 | 21441 | 0 | None | 42 | 2 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 395 | 6 | 2 | 3 | 3.2 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc3ccccc3c1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1205668 | 21441 | 0 | None | 42 | 2 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 395 | 6 | 2 | 3 | 3.2 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc3ccccc3c1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL131497 | 21441 | 0 | None | 42 | 2 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 395 | 6 | 2 | 3 | 3.2 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc3ccccc3c1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 44291635 | 21557 | 0 | None | - | 1 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 495 | 9 | 2 | 4 | 5.6 | CC(C)c1ccc2c(CCCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL1206702 | 21557 | 0 | None | - | 1 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 495 | 9 | 2 | 4 | 5.6 | CC(C)c1ccc2c(CCCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL298462 | 21557 | 0 | None | - | 1 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 495 | 9 | 2 | 4 | 5.6 | CC(C)c1ccc2c(CCCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| 71740559 | 98127 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 386 | 4 | 3 | 5 | 3.4 | Cc1cccc(Nc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)(C)C)c1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402432 | 98127 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 386 | 4 | 3 | 5 | 3.4 | Cc1cccc(Nc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)(C)C)c1 | 10.1016/j.ejmech.2013.04.033 | ||
| 44273462 | 81183 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 335 | 8 | 2 | 3 | 2.9 | O=C(O)CC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccccc1 | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL20257 | 81183 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 335 | 8 | 2 | 3 | 2.9 | O=C(O)CC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccccc1 | 10.1016/0960-894X(95)00199-4 | ||
| 11633163 | 145614 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 421 | 9 | 2 | 6 | 3.9 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(C)c1 | 10.1021/jm070427h | ||
| CHEMBL378137 | 145614 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 421 | 9 | 2 | 6 | 3.9 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(C)c1 | 10.1021/jm070427h | ||
| 71740179 | 98116 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 401 | 8 | 2 | 5 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccccc1C | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402421 | 98116 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 401 | 8 | 2 | 5 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccccc1C | 10.1016/j.ejmech.2013.04.033 | ||
| 44305452 | 210140 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 473 | 11 | 1 | 4 | 6.9 | O=C(O)CCC/C=C\C[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CS[C@@H]1c1cccnc1 | 10.1016/S0960-894X(01)80103-7 | ||
| CHEMBL65161 | 210140 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 473 | 11 | 1 | 4 | 6.9 | O=C(O)CCC/C=C\C[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CS[C@@H]1c1cccnc1 | 10.1016/S0960-894X(01)80103-7 | ||
| 44304473 | 209679 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 369 | 7 | 3 | 3 | 4.4 | O=C(O)CCC/C=C1\C[C@@H]2[C@@H](/C=N/NC(=O)Nc3ccccc3)CC[C@@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL62739 | 209679 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 369 | 7 | 3 | 3 | 4.4 | O=C(O)CCC/C=C1\C[C@@H]2[C@@H](/C=N/NC(=O)Nc3ccccc3)CC[C@@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 44273506 | 84995 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 349 | 9 | 2 | 3 | 3.3 | O=C(O)CCC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccccc1 | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL21057 | 84995 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 349 | 9 | 2 | 3 | 3.3 | O=C(O)CCC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccccc1 | 10.1016/0960-894X(95)00199-4 | ||
| 16756977 | 99065 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.5 | Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1021/jm070427h | ||
| CHEMBL242692 | 99065 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.5 | Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1021/jm070427h | ||
| 71740560 | 98128 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 400 | 8 | 3 | 5 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Nc1cccc(C)c1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402433 | 98128 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 400 | 8 | 3 | 5 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Nc1cccc(C)c1 | 10.1016/j.ejmech.2013.04.033 | ||
| 71740180 | 98117 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 373 | 5 | 2 | 5 | 3.1 | Cc1cccc(Oc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)C)c1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402422 | 98117 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 373 | 5 | 2 | 5 | 3.1 | Cc1cccc(Oc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)C)c1 | 10.1016/j.ejmech.2013.04.033 | ||
| 16757080 | 150958 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 441 | 9 | 2 | 6 | 4.2 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(Cl)c1 | 10.1021/jm070427h | ||
| CHEMBL390414 | 150958 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 441 | 9 | 2 | 6 | 4.2 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(Cl)c1 | 10.1021/jm070427h | ||
| 44305478 | 107520 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 505 | 11 | 1 | 5 | 5.6 | O=C(O)CC/C=C\CC[C@@H]1[C@@H](c2cccnc2)S(=O)(=O)C[C@@H]1OCc1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(01)80103-7 | ||
| CHEMBL292740 | 107520 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 505 | 11 | 1 | 5 | 5.6 | O=C(O)CC/C=C\CC[C@@H]1[C@@H](c2cccnc2)S(=O)(=O)C[C@@H]1OCc1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(01)80103-7 | ||
| 5312142 | 85008 | 11 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 406 | 5 | 3 | 6 | 3.4 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | ||
| CHEMBL210602 | 85008 | 11 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 406 | 5 | 3 | 6 | 3.4 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | ||
| 15018463 | 176159 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 389 | 10 | 2 | 3 | 3.6 | O=C(O)CCCCCC[C@@H]1[C@@H](NS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL442143 | 176159 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 389 | 10 | 2 | 3 | 3.6 | O=C(O)CCCCCC[C@@H]1[C@@H](NS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 10661867 | 27349 | 1 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 299 | 8 | 1 | 5 | 2.5 | O=C(O)CCCCO/N=C(/c1ccccc1)c1cnccn1 | 10.1021/jm960341g | ||
| CHEMBL130790 | 27349 | 1 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 299 | 8 | 1 | 5 | 2.5 | O=C(O)CCCCO/N=C(/c1ccccc1)c1cnccn1 | 10.1021/jm960341g | ||
| 16757381 | 150701 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 427 | 5 | 2 | 6 | 3.8 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Cl | 10.1021/jm070427h | ||
| CHEMBL390216 | 150701 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 427 | 5 | 2 | 6 | 3.8 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Cl | 10.1021/jm070427h | ||
| 13720717 | 84626 | 0 | None | 1 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| CHEMBL2092996 | 84626 | 0 | None | 1 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| 54669847 | 72227 | 0 | None | -4 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 405 | 7 | 2 | 4 | 3.4 | O=C1C=C(O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1 | 10.1021/jm200980u | ||
| CHEMBL1829805 | 72227 | 0 | None | -4 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 405 | 7 | 2 | 4 | 3.4 | O=C1C=C(O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1 | 10.1021/jm200980u | ||
| 44273489 | 80920 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 363 | 9 | 2 | 3 | 3.6 | Cc1ccc(S(=O)(=O)N[C@H]2CCC=C2C/C=C\CCCC(=O)O)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL20228 | 80920 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 363 | 9 | 2 | 3 | 3.6 | Cc1ccc(S(=O)(=O)N[C@H]2CCC=C2C/C=C\CCCC(=O)O)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| 23276770 | 125267 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 367 | 8 | 1 | 5 | 3.5 | O=C(O)CCCCO/N=C(/c1cccc(C(F)(F)F)c1)c1ccncn1 | 10.1021/jm960341g | ||
| CHEMBL341426 | 125267 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 367 | 8 | 1 | 5 | 3.5 | O=C(O)CCCCO/N=C(/c1cccc(C(F)(F)F)c1)c1ccncn1 | 10.1021/jm960341g | ||
| 44386678 | 175126 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 386 | 13 | 1 | 4 | 4.0 | CCCCCCS(=O)(=O)CC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| CHEMBL434362 | 175126 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 386 | 13 | 1 | 4 | 4.0 | CCCCCCS(=O)(=O)CC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| 10852668 | 26342 | 1 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 313 | 9 | 1 | 5 | 2.9 | O=C(O)CCCCCO/N=C(/c1ccccc1)c1ccncn1 | 10.1021/jm960341g | ||
| CHEMBL129995 | 26342 | 1 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 313 | 9 | 1 | 5 | 2.9 | O=C(O)CCCCCO/N=C(/c1ccccc1)c1ccncn1 | 10.1021/jm960341g | ||
| 10827996 | 122963 | 1 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 299 | 8 | 1 | 5 | 2.5 | O=C(O)CCCCO/N=C(/c1ccccc1)c1ccncn1 | 10.1021/jm960341g | ||
| CHEMBL335841 | 122963 | 1 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 299 | 8 | 1 | 5 | 2.5 | O=C(O)CCCCO/N=C(/c1ccccc1)c1ccncn1 | 10.1021/jm960341g | ||
| 54757771 | 72235 | 0 | None | 8 | 2 | Mouse | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 515 | 12 | 1 | 4 | 5.7 | CC(C)COC1=C(CC2CC2)C(=O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1 | 10.1021/jm200980u | ||
| CHEMBL1829813 | 72235 | 0 | None | 8 | 2 | Mouse | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 515 | 12 | 1 | 4 | 5.7 | CC(C)COC1=C(CC2CC2)C(=O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1 | 10.1021/jm200980u | ||
| 11633163 | 145614 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 421 | 9 | 2 | 6 | 3.9 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(C)c1 | 10.1021/jm070427h | ||
| CHEMBL378137 | 145614 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 421 | 9 | 2 | 6 | 3.9 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(C)c1 | 10.1021/jm070427h | ||
| 16756980 | 100056 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 471 | 5 | 2 | 6 | 3.9 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Br | 10.1021/jm070427h | ||
| CHEMBL245032 | 100056 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 471 | 5 | 2 | 6 | 3.9 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Br | 10.1021/jm070427h | ||
| 54757770 | 72233 | 0 | None | 20 | 2 | Mouse | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 503 | 11 | 1 | 4 | 5.6 | CC(C)COC1=C(C(C)C)C(=O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1 | 10.1021/jm200980u | ||
| CHEMBL1829811 | 72233 | 0 | None | 20 | 2 | Mouse | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 503 | 11 | 1 | 4 | 5.6 | CC(C)COC1=C(C(C)C)C(=O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1 | 10.1021/jm200980u | ||
| 9907162 | 21517 | 0 | None | 50 | 2 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 365 | 5 | 2 | 3 | 2.7 | O=C(O)c1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1206352 | 21517 | 0 | None | 50 | 2 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 365 | 5 | 2 | 3 | 2.7 | O=C(O)c1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL264516 | 21517 | 0 | None | 50 | 2 | Rat | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 365 | 5 | 2 | 3 | 2.7 | O=C(O)c1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 44305522 | 209750 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 457 | 11 | 1 | 4 | 6.2 | O=C(O)CC/C=C\CC[C@@H]1[C@@H](c2cccnc2)OC[C@@H]1OCc1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(01)80104-9 | ||
| CHEMBL63040 | 209750 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 457 | 11 | 1 | 4 | 6.2 | O=C(O)CC/C=C\CC[C@@H]1[C@@H](c2cccnc2)OC[C@@H]1OCc1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(01)80104-9 | ||
| 15018450 | 79738 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 383 | 9 | 2 | 3 | 3.6 | Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](F)[C@@H]2C/C=C\CCCC(=O)O)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL20065 | 79738 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 383 | 9 | 2 | 3 | 3.6 | Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](F)[C@@H]2C/C=C\CCCC(=O)O)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| 10669025 | 211835 | 1 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 405 | 7 | 3 | 4 | 4.4 | CC(C)(C)/N=C(\NC#N)Nc1cccc(/C(=C/CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| CHEMBL7718 | 211835 | 1 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 405 | 7 | 3 | 4 | 4.4 | CC(C)(C)/N=C(\NC#N)Nc1cccc(/C(=C/CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| 44291875 | 108256 | 0 | None | - | 1 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 459 | 9 | 2 | 3 | 6.0 | CC(C)c1ccc2c(CCCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(C(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL297808 | 108256 | 0 | None | - | 1 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 459 | 9 | 2 | 3 | 6.0 | CC(C)c1ccc2c(CCCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(C(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| 44304706 | 210067 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 371 | 6 | 4 | 4 | 3.0 | O=C(O)CC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccccc3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL64707 | 210067 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 371 | 6 | 4 | 4 | 3.0 | O=C(O)CC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccccc3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 16757376 | 160266 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 393 | 6 | 2 | 6 | 3.1 | Cc1cccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)C)c1 | 10.1021/jm070427h | ||
| CHEMBL397964 | 160266 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 393 | 6 | 2 | 6 | 3.1 | Cc1cccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)C)c1 | 10.1021/jm070427h | ||
| 16757175 | 100021 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 437 | 10 | 2 | 7 | 3.6 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 | 10.1021/jm070427h | ||
| CHEMBL244818 | 100021 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 437 | 10 | 2 | 7 | 3.6 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 | 10.1021/jm070427h | ||
| 10546960 | 210134 | 0 | None | 6 | 2 | Mouse | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 367 | 8 | 2 | 3 | 2.9 | O=C(O)CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/jm200980u | ||
| CHEMBL65121 | 210134 | 0 | None | 6 | 2 | Mouse | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 367 | 8 | 2 | 3 | 2.9 | O=C(O)CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/jm200980u | ||
| 10550018 | 169039 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 419 | 10 | 3 | 4 | 4.7 | CC(C)CC/N=C(/NC#N)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| CHEMBL416374 | 169039 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 419 | 10 | 3 | 4 | 4.7 | CC(C)CC/N=C(/NC#N)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| 16757176 | 100059 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 465 | 12 | 2 | 7 | 4.4 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OCCC)cc1 | 10.1021/jm070427h | ||
| CHEMBL245036 | 100059 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 465 | 12 | 2 | 7 | 4.4 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OCCC)cc1 | 10.1021/jm070427h | ||
| 71740444 | 98124 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 386 | 4 | 3 | 5 | 3.4 | Cc1ccccc1Nc1ccc(C#N)cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402429 | 98124 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 386 | 4 | 3 | 5 | 3.4 | Cc1ccccc1Nc1ccc(C#N)cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1016/j.ejmech.2013.04.033 | ||
| 117630015 | 122647 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 591 | 9 | 1 | 4 | 7.0 | Cc1cccc(C)c1C1=C(OCC(C)C)CC(Cc2cccc3c2CCC(NS(=O)(=O)c2ccc(Cl)cc2)C3)C1=O | 10.1021/ml5002085 | ||
| CHEMBL3354617 | 122647 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 591 | 9 | 1 | 4 | 7.0 | Cc1cccc(C)c1C1=C(OCC(C)C)CC(Cc2cccc3c2CCC(NS(=O)(=O)c2ccc(Cl)cc2)C3)C1=O | 10.1021/ml5002085 | ||
| 11676121 | 85097 | 4 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 420 | 9 | 3 | 6 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(C)cc1 | 10.1021/jm060108a | ||
| CHEMBL210964 | 85097 | 4 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 420 | 9 | 3 | 6 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(C)cc1 | 10.1021/jm060108a | ||
| 44305522 | 209750 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 457 | 11 | 1 | 4 | 6.2 | O=C(O)CC/C=C\CC[C@@H]1[C@@H](c2cccnc2)OC[C@@H]1OCc1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(01)80104-9 | ||
| CHEMBL63040 | 209750 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 457 | 11 | 1 | 4 | 6.2 | O=C(O)CC/C=C\CC[C@@H]1[C@@H](c2cccnc2)OC[C@@H]1OCc1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(01)80104-9 | ||
| 65772 | 67177 | 8 | None | -54 | 11 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| CHEMBL174984 | 67177 | 8 | None | -54 | 11 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| 15290043 | 21574 | 0 | None | -33 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 351 | 6 | 2 | 4 | 2.1 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1cccs1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1207012 | 21574 | 0 | None | -33 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 351 | 6 | 2 | 4 | 2.1 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1cccs1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL335043 | 21574 | 0 | None | -33 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 351 | 6 | 2 | 4 | 2.1 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1cccs1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 18921481 | 21436 | 0 | None | -81 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 421 | 9 | 2 | 3 | 3.8 | O=C(O)CCCCc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1205661 | 21436 | 0 | None | -81 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 421 | 9 | 2 | 3 | 3.8 | O=C(O)CCCCc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL130377 | 21436 | 0 | None | -81 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 421 | 9 | 2 | 3 | 3.8 | O=C(O)CCCCc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 117630458 | 122649 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 521 | 7 | 2 | 4 | 5.4 | O=C1C(Cc2ccccc2)=C(O)CC1Cc1cccc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1021/ml5002085 | ||
| CHEMBL3354619 | 122649 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 521 | 7 | 2 | 4 | 5.4 | O=C1C(Cc2ccccc2)=C(O)CC1Cc1cccc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1021/ml5002085 | ||
| 10385168 | 123358 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 381 | 9 | 1 | 5 | 3.9 | O=C(O)CCCCCO/N=C(/c1ccnnc1)c1cccc(C(F)(F)F)c1 | 10.1021/jm960341g | ||
| CHEMBL336548 | 123358 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 381 | 9 | 1 | 5 | 3.9 | O=C(O)CCCCCO/N=C(/c1ccnnc1)c1cccc(C(F)(F)F)c1 | 10.1021/jm960341g | ||
| 11633215 | 146933 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 3.8 | Cc1ccc(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | ||
| CHEMBL380274 | 146933 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 3.8 | Cc1ccc(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | ||
| 15290042 | 21645 | 0 | None | 162 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 395 | 6 | 2 | 3 | 3.2 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1cccc3ccccc13)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1207638 | 21645 | 0 | None | 162 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 395 | 6 | 2 | 3 | 3.2 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1cccc3ccccc13)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL422441 | 21645 | 0 | None | 162 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 395 | 6 | 2 | 3 | 3.2 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1cccc3ccccc13)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 71740560 | 98128 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 400 | 8 | 3 | 5 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Nc1cccc(C)c1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402433 | 98128 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 400 | 8 | 3 | 5 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Nc1cccc(C)c1 | 10.1016/j.ejmech.2013.04.033 | ||
| 10646254 | 87914 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 429 | 9 | 3 | 6 | 4.8 | CC(C)(C)NC(Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1)=C(C#N)C#N | 10.1021/jm9707941 | ||
| CHEMBL21570 | 87914 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 429 | 9 | 3 | 6 | 4.8 | CC(C)(C)NC(Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1)=C(C#N)C#N | 10.1021/jm9707941 | ||
| 219052 | 21576 | 2 | None | 120 | 2 | Rat | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 379 | 6 | 2 | 3 | 2.7 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1207021 | 21576 | 2 | None | 120 | 2 | Rat | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 379 | 6 | 2 | 3 | 2.7 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL336846 | 21576 | 2 | None | 120 | 2 | Rat | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 379 | 6 | 2 | 3 | 2.7 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 54669848 | 72228 | 0 | None | 42 | 2 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 419 | 7 | 2 | 4 | 3.8 | CC1=C(O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)CC1=O | 10.1021/jm200980u | ||
| CHEMBL1829806 | 72228 | 0 | None | 42 | 2 | Mouse | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 419 | 7 | 2 | 4 | 3.8 | CC1=C(O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)CC1=O | 10.1021/jm200980u | ||
| 117630548 | 122644 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 507 | 6 | 2 | 4 | 5.3 | O=C1C(c2ccccc2)=C(O)CC1Cc1cccc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1021/ml5002085 | ||
| CHEMBL3354614 | 122644 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 507 | 6 | 2 | 4 | 5.3 | O=C1C(c2ccccc2)=C(O)CC1Cc1cccc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1021/ml5002085 | ||
| 10669649 | 88480 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 417 | 8 | 3 | 4 | 4.5 | N#CN/C(=N/C1CCCC1)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| CHEMBL21639 | 88480 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 417 | 8 | 3 | 4 | 4.5 | N#CN/C(=N/C1CCCC1)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| 11661725 | 84634 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 420 | 5 | 3 | 6 | 3.7 | Cc1cccc(C)c1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1021/jm060108a | ||
| CHEMBL209306 | 84634 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 420 | 5 | 3 | 6 | 3.7 | Cc1cccc(C)c1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1021/jm060108a | ||
| 10503638 | 171588 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 448 | 10 | 4 | 6 | 3.8 | CC(C)C/N=C(\Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1)Nc1nn[nH]n1 | 10.1021/jm9707941 | ||
| CHEMBL421854 | 171588 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 448 | 10 | 4 | 6 | 3.8 | CC(C)C/N=C(\Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1)Nc1nn[nH]n1 | 10.1021/jm9707941 | ||
| 11567679 | 84523 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.5 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | ||
| CHEMBL209035 | 84523 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.5 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | ||
| 10494367 | 26277 | 1 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 299 | 8 | 1 | 5 | 2.5 | O=C(O)CCCCO/N=C(\c1ccccc1)c1ncccn1 | 10.1021/jm960341g | ||
| CHEMBL129935 | 26277 | 1 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 299 | 8 | 1 | 5 | 2.5 | O=C(O)CCCCO/N=C(\c1ccccc1)c1ncccn1 | 10.1021/jm960341g | ||
| 10518244 | 28700 | 1 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 299 | 8 | 1 | 5 | 2.5 | O=C(O)CCCCO/N=C(\c1ccccc1)c1ccncn1 | 10.1021/jm960341g | ||
| CHEMBL132043 | 28700 | 1 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 299 | 8 | 1 | 5 | 2.5 | O=C(O)CCCCO/N=C(\c1ccccc1)c1ccncn1 | 10.1021/jm960341g | ||
| 16757486 | 99986 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 533 | 9 | 2 | 6 | 4.2 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(I)cc1 | 10.1021/jm070427h | ||
| CHEMBL244608 | 99986 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 533 | 9 | 2 | 6 | 4.2 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(I)cc1 | 10.1021/jm070427h | ||
| 71740183 | 98120 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 373 | 5 | 2 | 5 | 3.1 | Cc1ccc(Oc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402425 | 98120 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 373 | 5 | 2 | 5 | 3.1 | Cc1ccc(Oc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 16757081 | 99640 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 427 | 5 | 2 | 6 | 3.8 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1 | 10.1021/jm070427h | ||
| CHEMBL243983 | 99640 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 427 | 5 | 2 | 6 | 3.8 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1 | 10.1021/jm070427h | ||
| 16757079 | 99620 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 441 | 9 | 2 | 6 | 4.2 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Cl | 10.1021/jm070427h | ||
| CHEMBL243773 | 99620 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 441 | 9 | 2 | 6 | 4.2 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Cl | 10.1021/jm070427h | ||
| 18921526 | 21446 | 0 | None | 46 | 2 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 393 | 7 | 2 | 3 | 3.1 | O=C(O)Cc1ccc2c(c1)CC(CCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1205680 | 21446 | 0 | None | 46 | 2 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 393 | 7 | 2 | 3 | 3.1 | O=C(O)Cc1ccc2c(c1)CC(CCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL132659 | 21446 | 0 | None | 46 | 2 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 393 | 7 | 2 | 3 | 3.1 | O=C(O)Cc1ccc2c(c1)CC(CCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 44457587 | 90270 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 436 | 9 | 3 | 6 | 3.7 | CC(C)(C)/N=C(\NC#N)Nc1cccc(/C(=N\OCCCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| CHEMBL22023 | 90270 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 436 | 9 | 3 | 6 | 3.7 | CC(C)(C)/N=C(\NC#N)Nc1cccc(/C(=N\OCCCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| 16756981 | 159381 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 485 | 9 | 2 | 6 | 4.3 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Br | 10.1021/jm070427h | ||
| CHEMBL397198 | 159381 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 485 | 9 | 2 | 6 | 4.3 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Br | 10.1021/jm070427h | ||
| 5312142 | 85008 | 11 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 406 | 5 | 3 | 6 | 3.4 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | ||
| CHEMBL210602 | 85008 | 11 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 406 | 5 | 3 | 6 | 3.4 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | ||
| 5312142 | 85008 | 11 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 406 | 5 | 3 | 6 | 3.4 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm070427h | ||
| CHEMBL210602 | 85008 | 11 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 406 | 5 | 3 | 6 | 3.4 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm070427h | ||
| 71740557 | 98125 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 400 | 8 | 3 | 5 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Nc1ccccc1C | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402430 | 98125 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 400 | 8 | 3 | 5 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Nc1ccccc1C | 10.1016/j.ejmech.2013.04.033 | ||
| 10717914 | 175887 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 439 | 9 | 3 | 4 | 4.8 | N#CN/C(=N/Cc1ccccc1)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| CHEMBL440096 | 175887 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 439 | 9 | 3 | 4 | 4.8 | N#CN/C(=N/Cc1ccccc1)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| 44353303 | 21438 | 0 | None | -2 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 381 | 6 | 2 | 4 | 2.2 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)O2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1205664 | 21438 | 0 | None | -2 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 381 | 6 | 2 | 4 | 2.2 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)O2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL131036 | 21438 | 0 | None | -2 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 381 | 6 | 2 | 4 | 2.2 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)O2 | 10.1016/s0960-894x(99)00014-1 | ||
| 10526115 | 87290 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 419 | 8 | 3 | 4 | 4.8 | CC(C)(C)/N=C(\NC#N)Nc1cccc(/C(=C\CCCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| CHEMBL21478 | 87290 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 419 | 8 | 3 | 4 | 4.8 | CC(C)(C)/N=C(\NC#N)Nc1cccc(/C(=C\CCCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| 10766313 | 105475 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 458 | 8 | 3 | 5 | 3.9 | CC(C)(C)/N=C(\Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1)NS(C)(=O)=O | 10.1021/jm9707941 | ||
| CHEMBL277620 | 105475 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 458 | 8 | 3 | 5 | 3.9 | CC(C)(C)/N=C(\Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1)NS(C)(=O)=O | 10.1021/jm9707941 | ||
| 10637870 | 27296 | 1 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 299 | 8 | 1 | 5 | 2.5 | O=C(O)CCCCO/N=C(\c1ccccc1)c1ccnnc1 | 10.1021/jm960341g | ||
| CHEMBL130755 | 27296 | 1 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 299 | 8 | 1 | 5 | 2.5 | O=C(O)CCCCO/N=C(\c1ccccc1)c1ccnnc1 | 10.1021/jm960341g | ||
| 10545734 | 173726 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 349 | 7 | 3 | 4 | 2.8 | N#CN/C(N)=N\c1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| CHEMBL428709 | 173726 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 349 | 7 | 3 | 4 | 2.8 | N#CN/C(N)=N\c1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| 18921481 | 21436 | 0 | None | 81 | 2 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 421 | 9 | 2 | 3 | 3.8 | O=C(O)CCCCc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1205661 | 21436 | 0 | None | 81 | 2 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 421 | 9 | 2 | 3 | 3.8 | O=C(O)CCCCc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL130377 | 21436 | 0 | None | 81 | 2 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 421 | 9 | 2 | 3 | 3.8 | O=C(O)CCCCc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 44385759 | 67232 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 354 | 13 | 1 | 3 | 5.4 | CCCCCCCSC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| CHEMBL175325 | 67232 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 354 | 13 | 1 | 3 | 5.4 | CCCCCCCSC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| 163920 | 21447 | 12 | None | -165 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 365 | 5 | 2 | 3 | 2.4 | O=C(O)Cc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1205685 | 21447 | 12 | None | -165 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 365 | 5 | 2 | 3 | 2.4 | O=C(O)Cc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL133420 | 21447 | 12 | None | -165 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 365 | 5 | 2 | 3 | 2.4 | O=C(O)Cc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 219052 | 21576 | 2 | None | -120 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 379 | 6 | 2 | 3 | 2.7 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1207021 | 21576 | 2 | None | -120 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 379 | 6 | 2 | 3 | 2.7 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL336846 | 21576 | 2 | None | -120 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 379 | 6 | 2 | 3 | 2.7 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 10384315 | 171925 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 367 | 8 | 1 | 5 | 3.5 | O=C(O)CCCCO/N=C(\c1cncnc1)c1cccc(C(F)(F)F)c1 | 10.1021/jm960341g | ||
| CHEMBL422793 | 171925 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 367 | 8 | 1 | 5 | 3.5 | O=C(O)CCCCO/N=C(\c1cncnc1)c1cccc(C(F)(F)F)c1 | 10.1021/jm960341g | ||
| 71740057 | 98115 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 387 | 4 | 2 | 5 | 3.4 | Cc1ccccc1Oc1ccc(C#N)cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402420 | 98115 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 387 | 4 | 2 | 5 | 3.4 | Cc1ccccc1Oc1ccc(C#N)cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1016/j.ejmech.2013.04.033 | ||
| 1986 | 8094 | 50 | None | 7 | 2 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 353 | 7 | 2 | 3 | 2.5 | OC(=O)Cc1ccc(cc1)CCNS(=O)(=O)c1ccc(cc1)Cl | 10.1016/s0960-894x(99)00014-1 | ||
| 54343 | 8094 | 50 | None | 7 | 2 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 353 | 7 | 2 | 3 | 2.5 | OC(=O)Cc1ccc(cc1)CCNS(=O)(=O)c1ccc(cc1)Cl | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL71685 | 8094 | 50 | None | 7 | 2 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 353 | 7 | 2 | 3 | 2.5 | OC(=O)Cc1ccc(cc1)CCNS(=O)(=O)c1ccc(cc1)Cl | 10.1016/s0960-894x(99)00014-1 | ||
| 44387046 | 68909 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 354 | 13 | 1 | 3 | 5.3 | CCCCCSCCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| CHEMBL177760 | 68909 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 354 | 13 | 1 | 3 | 5.3 | CCCCCSCCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| 16757179 | 100095 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 455 | 9 | 2 | 6 | 4.5 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)c(C)c1 | 10.1021/jm070427h | ||
| CHEMBL245263 | 100095 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 455 | 9 | 2 | 6 | 4.5 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)c(C)c1 | 10.1021/jm070427h | ||
| 16756977 | 99065 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.5 | Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1021/jm070427h | ||
| CHEMBL242692 | 99065 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.5 | Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1021/jm070427h | ||
| 54758054 | 72224 | 0 | None | -4 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 420 | 8 | 3 | 6 | 1.8 | O=c1c(O)c(NCc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)c1=O | 10.1021/jm200980u | ||
| CHEMBL1829802 | 72224 | 0 | None | -4 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 420 | 8 | 3 | 6 | 1.8 | O=c1c(O)c(NCc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)c1=O | 10.1021/jm200980u | ||
| 10620837 | 105957 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 397 | 7 | 3 | 3 | 5.3 | CC(C)(C)/N=C(/S)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| CHEMBL281338 | 105957 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 397 | 7 | 3 | 3 | 5.3 | CC(C)(C)/N=C(/S)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| 11647396 | 84557 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 418 | 5 | 2 | 6 | 3.5 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)N2CCCCC2)cc1 | 10.1021/jm060108a | ||
| CHEMBL209168 | 84557 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 418 | 5 | 2 | 6 | 3.5 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)N2CCCCC2)cc1 | 10.1021/jm060108a | ||
| 10320462 | 21573 | 0 | None | 34 | 2 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 407 | 8 | 2 | 3 | 3.4 | O=C(O)CCCc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1207010 | 21573 | 0 | None | 34 | 2 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 407 | 8 | 2 | 3 | 3.4 | O=C(O)CCCc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL334501 | 21573 | 0 | None | 34 | 2 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 407 | 8 | 2 | 3 | 3.4 | O=C(O)CCCc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 44386034 | 67162 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 368 | 13 | 1 | 3 | 5.7 | CCCCCC(C)SCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| CHEMBL174856 | 67162 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 368 | 13 | 1 | 3 | 5.7 | CCCCCC(C)SCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| 118719206 | 122242 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 354 | 13 | 1 | 3 | 5.3 | CCCCCCSC[C@H]1C2CCC(O2)[C@H]1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| CHEMBL3350918 | 122242 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 354 | 13 | 1 | 3 | 5.3 | CCCCCCSC[C@H]1C2CCC(O2)[C@H]1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| 56659855 | 72092 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 353 | 7 | 2 | 8 | -0.1 | NC(=O)c1c(CSCC(=O)Oc2ccccc2C(=O)O)no[n+]1[O-] | 10.1016/j.bmc.2011.08.018 | ||
| CHEMBL1829095 | 72092 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 353 | 7 | 2 | 8 | -0.1 | NC(=O)c1c(CSCC(=O)Oc2ccccc2C(=O)O)no[n+]1[O-] | 10.1016/j.bmc.2011.08.018 | ||
| 44386134 | 69128 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 284 | 8 | 1 | 3 | 3.3 | CSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| CHEMBL177907 | 69128 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 284 | 8 | 1 | 3 | 3.3 | CSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| 54757769 | 72231 | 0 | None | -8 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 489 | 11 | 1 | 4 | 5.3 | CCC1=C(OCC(C)C)CC(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1=O | 10.1021/jm200980u | ||
| CHEMBL1829809 | 72231 | 0 | None | -8 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 489 | 11 | 1 | 4 | 5.3 | CCC1=C(OCC(C)C)CC(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1=O | 10.1021/jm200980u | ||
| 16757079 | 99620 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 441 | 9 | 2 | 6 | 4.2 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Cl | 10.1021/jm070427h | ||
| CHEMBL243773 | 99620 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 441 | 9 | 2 | 6 | 4.2 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Cl | 10.1021/jm070427h | ||
| 71740308 | 98133 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 391 | 4 | 2 | 5 | 3.3 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(F)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402438 | 98133 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 391 | 4 | 2 | 5 | 3.3 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(F)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 10095268 | 92931 | 0 | None | -7 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 449 | 6 | 1 | 3 | 6.8 | Cc1ccc(-n2c(C)ccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1C(=O)O | 10.1016/j.bmcl.2006.11.059 | ||
| CHEMBL231184 | 92931 | 0 | None | -7 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 449 | 6 | 1 | 3 | 6.8 | Cc1ccc(-n2c(C)ccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1C(=O)O | 10.1016/j.bmcl.2006.11.059 | ||
| 56680341 | 72093 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 337 | 7 | 2 | 8 | 0.7 | NC(=O)c1nonc1CSCC(=O)Oc1ccccc1C(=O)O | 10.1016/j.bmc.2011.08.018 | ||
| CHEMBL1829096 | 72093 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 337 | 7 | 2 | 8 | 0.7 | NC(=O)c1nonc1CSCC(=O)Oc1ccccc1C(=O)O | 10.1016/j.bmc.2011.08.018 | ||
| 16757377 | 156852 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.5 | Cc1cccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)c1 | 10.1021/jm070427h | ||
| CHEMBL395079 | 156852 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.5 | Cc1cccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)c1 | 10.1021/jm070427h | ||
| 13720716 | 69827 | 0 | None | -165 | 3 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| CHEMBL1788251 | 69827 | 0 | None | -165 | 3 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 363 | 5 | 3 | 6 | 2.7 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC | 10.1021/jm00081a007 | ||
| 16757081 | 99640 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 427 | 5 | 2 | 6 | 3.8 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1 | 10.1021/jm070427h | ||
| CHEMBL243983 | 99640 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 427 | 5 | 2 | 6 | 3.8 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1 | 10.1021/jm070427h | ||
| 16757083 | 149376 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 519 | 5 | 2 | 6 | 3.8 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(I)cc1 | 10.1021/jm070427h | ||
| CHEMBL389135 | 149376 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 519 | 5 | 2 | 6 | 3.8 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(I)cc1 | 10.1021/jm070427h | ||
| 44138108 | 191064 | 0 | None | -7413 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 434 | 5 | 1 | 4 | 6.6 | CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CC[C@@H]1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | ||
| CHEMBL483991 | 191064 | 0 | None | -7413 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 434 | 5 | 1 | 4 | 6.6 | CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CC[C@@H]1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | ||
| 56680464 | 72234 | 0 | None | -7 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 461 | 9 | 2 | 4 | 3.8 | O=C1C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)CC(O)C1CC1CC1 | 10.1021/jm200980u | ||
| CHEMBL1829812 | 72234 | 0 | None | -7 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 461 | 9 | 2 | 4 | 3.8 | O=C1C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)CC(O)C1CC1CC1 | 10.1021/jm200980u | ||
| 71740561 | 98129 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 372 | 5 | 3 | 5 | 3.0 | Cc1ccc(Nc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402434 | 98129 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 372 | 5 | 3 | 5 | 3.0 | Cc1ccc(Nc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 16756982 | 100091 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 485 | 9 | 2 | 6 | 4.3 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(Br)c1 | 10.1021/jm070427h | ||
| CHEMBL245254 | 100091 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 485 | 9 | 2 | 6 | 4.3 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(Br)c1 | 10.1021/jm070427h | ||
| 16757375 | 98962 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 407 | 8 | 2 | 6 | 3.5 | CCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1C | 10.1021/jm070427h | ||
| CHEMBL242479 | 98962 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 407 | 8 | 2 | 6 | 3.5 | CCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1C | 10.1021/jm070427h | ||
| 44387050 | 68079 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 368 | 14 | 1 | 3 | 5.7 | CCCCCCCSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| CHEMBL176714 | 68079 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 368 | 14 | 1 | 3 | 5.7 | CCCCCCCSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| 71740561 | 98129 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 372 | 5 | 3 | 5 | 3.0 | Cc1ccc(Nc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402434 | 98129 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 372 | 5 | 3 | 5 | 3.0 | Cc1ccc(Nc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 16757378 | 100055 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 393 | 7 | 2 | 6 | 3.1 | CCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm070427h | ||
| CHEMBL245031 | 100055 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 393 | 7 | 2 | 6 | 3.1 | CCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm070427h | ||
| 16756981 | 159381 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 485 | 9 | 2 | 6 | 4.3 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Br | 10.1021/jm070427h | ||
| CHEMBL397198 | 159381 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 485 | 9 | 2 | 6 | 4.3 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Br | 10.1021/jm070427h | ||
| 11656254 | 84552 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 498 | 9 | 3 | 6 | 4.6 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(Br)c(C)c1 | 10.1021/jm060108a | ||
| CHEMBL209134 | 84552 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 498 | 9 | 3 | 6 | 4.6 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(Br)c(C)c1 | 10.1021/jm060108a | ||
| 11294166 | 83820 | 0 | None | -10232 | 2 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 461 | 6 | 2 | 5 | 4.3 | CC(O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1016/j.bmcl.2006.02.062 | ||
| CHEMBL207203 | 83820 | 0 | None | -10232 | 2 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 461 | 6 | 2 | 5 | 4.3 | CC(O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1016/j.bmcl.2006.02.062 | ||
| 11294166 | 83820 | 0 | None | -10232 | 2 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 461 | 6 | 2 | 5 | 4.3 | CC(O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1021/jm0603668 | ||
| CHEMBL207203 | 83820 | 0 | None | -10232 | 2 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 461 | 6 | 2 | 5 | 4.3 | CC(O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1021/jm0603668 | ||
| 71740308 | 98133 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 391 | 4 | 2 | 5 | 3.3 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(F)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402438 | 98133 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 391 | 4 | 2 | 5 | 3.3 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(F)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 44457567 | 87043 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 450 | 11 | 3 | 6 | 5.2 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(N/C(=C/[N+](=O)[O-])NC2CCCCC2)c1 | 10.1021/jm9707941 | ||
| CHEMBL21392 | 87043 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 450 | 11 | 3 | 6 | 5.2 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(N/C(=C/[N+](=O)[O-])NC2CCCCC2)c1 | 10.1021/jm9707941 | ||
| 44273488 | 106247 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 367 | 9 | 2 | 3 | 3.4 | O=C(O)CCC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL283128 | 106247 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 367 | 9 | 2 | 3 | 3.4 | O=C(O)CCC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| 16757175 | 100021 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 437 | 10 | 2 | 7 | 3.6 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 | 10.1021/jm070427h | ||
| CHEMBL244818 | 100021 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 437 | 10 | 2 | 7 | 3.6 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 | 10.1021/jm070427h | ||
| 16757378 | 100055 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 393 | 7 | 2 | 6 | 3.1 | CCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm070427h | ||
| CHEMBL245031 | 100055 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 393 | 7 | 2 | 6 | 3.1 | CCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm070427h | ||
| 11568384 | 84571 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 440 | 7 | 3 | 6 | 3.8 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NCc2ccccc2)cc1 | 10.1021/jm060108a | ||
| CHEMBL209245 | 84571 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 440 | 7 | 3 | 6 | 3.8 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NCc2ccccc2)cc1 | 10.1021/jm060108a | ||
| 11510008 | 84057 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 420 | 9 | 3 | 6 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(C)c1 | 10.1021/jm060108a | ||
| CHEMBL208115 | 84057 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 420 | 9 | 3 | 6 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(C)c1 | 10.1021/jm060108a | ||
| 16757485 | 99956 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 533 | 9 | 2 | 6 | 4.2 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(I)c1 | 10.1021/jm070427h | ||
| CHEMBL244401 | 99956 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 533 | 9 | 2 | 6 | 4.2 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(I)c1 | 10.1021/jm070427h | ||
| 44305343 | 107458 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 473 | 11 | 1 | 4 | 6.9 | O=C(O)CC/C=C\CC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CS[C@@H]1c1cccnc1 | 10.1016/S0960-894X(01)80103-7 | ||
| CHEMBL292331 | 107458 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 473 | 11 | 1 | 4 | 6.9 | O=C(O)CC/C=C\CC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CS[C@@H]1c1cccnc1 | 10.1016/S0960-894X(01)80103-7 | ||
| 44305326 | 209705 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 473 | 11 | 1 | 4 | 6.9 | O=C(O)CC/C=C\CC[C@@H]1[C@@H](c2cccnc2)SC[C@@H]1OCc1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(01)80103-7 | ||
| CHEMBL62834 | 209705 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 473 | 11 | 1 | 4 | 6.9 | O=C(O)CC/C=C\CC[C@@H]1[C@@H](c2cccnc2)SC[C@@H]1OCc1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(01)80103-7 | ||
| 11604299 | 146360 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 426 | 10 | 3 | 6 | 3.9 | CCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 | 10.1021/jm060108a | ||
| CHEMBL379736 | 146360 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 426 | 10 | 3 | 6 | 3.9 | CCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 | 10.1021/jm060108a | ||
| 1986 | 8094 | 50 | None | -7 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 353 | 7 | 2 | 3 | 2.5 | OC(=O)Cc1ccc(cc1)CCNS(=O)(=O)c1ccc(cc1)Cl | 10.1016/s0960-894x(99)00014-1 | ||
| 54343 | 8094 | 50 | None | -7 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 353 | 7 | 2 | 3 | 2.5 | OC(=O)Cc1ccc(cc1)CCNS(=O)(=O)c1ccc(cc1)Cl | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL71685 | 8094 | 50 | None | -7 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 353 | 7 | 2 | 3 | 2.5 | OC(=O)Cc1ccc(cc1)CCNS(=O)(=O)c1ccc(cc1)Cl | 10.1016/s0960-894x(99)00014-1 | ||
| 9802748 | 142701 | 0 | None | -229 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 430 | 6 | 1 | 4 | 3.4 | CN([C@@H]1CCc2c(c3ccccc3n2CCC(=O)O)C1)S(=O)(=O)c1ccc(F)cc1 | 10.1021/jm049036i | ||
| CHEMBL373118 | 142701 | 0 | None | -229 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 430 | 6 | 1 | 4 | 3.4 | CN([C@@H]1CCc2c(c3ccccc3n2CCC(=O)O)C1)S(=O)(=O)c1ccc(F)cc1 | 10.1021/jm049036i | ||
| 54757769 | 72231 | 0 | None | 8 | 2 | Mouse | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 489 | 11 | 1 | 4 | 5.3 | CCC1=C(OCC(C)C)CC(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1=O | 10.1021/jm200980u | ||
| CHEMBL1829809 | 72231 | 0 | None | 8 | 2 | Mouse | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 489 | 11 | 1 | 4 | 5.3 | CCC1=C(OCC(C)C)CC(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1=O | 10.1021/jm200980u | ||
| 71740668 | 98112 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 390 | 4 | 3 | 5 | 3.2 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Nc1ccc(F)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402417 | 98112 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 390 | 4 | 3 | 5 | 3.2 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Nc1ccc(F)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 10526677 | 106205 | 1 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 431 | 8 | 3 | 4 | 4.9 | N#CN/C(=N/C1CCCCC1)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| CHEMBL282884 | 106205 | 1 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 431 | 8 | 3 | 4 | 4.9 | N#CN/C(=N/C1CCCCC1)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| 11568248 | 145433 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 434 | 9 | 3 | 6 | 4.1 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1c(C)cccc1C | 10.1021/jm060108a | ||
| CHEMBL377679 | 145433 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 434 | 9 | 3 | 6 | 4.1 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1c(C)cccc1C | 10.1021/jm060108a | ||
| 16757082 | 99826 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 519 | 5 | 2 | 6 | 3.8 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(I)c1 | 10.1021/jm070427h | ||
| CHEMBL244190 | 99826 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 519 | 5 | 2 | 6 | 3.8 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(I)c1 | 10.1021/jm070427h | ||
| 44273463 | 168616 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 389 | 10 | 2 | 3 | 3.5 | O=C(O)CCCCC[C@@H]1[C@@H](CNS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL414609 | 168616 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 389 | 10 | 2 | 3 | 3.5 | O=C(O)CCCCC[C@@H]1[C@@H](CNS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 10756561 | 27047 | 1 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 299 | 8 | 1 | 5 | 2.5 | O=C(O)CCCCO/N=C(\c1ccccc1)c1cnccn1 | 10.1021/jm960341g | ||
| CHEMBL130564 | 27047 | 1 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 299 | 8 | 1 | 5 | 2.5 | O=C(O)CCCCO/N=C(\c1ccccc1)c1cnccn1 | 10.1021/jm960341g | ||
| 71740444 | 98124 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 386 | 4 | 3 | 5 | 3.4 | Cc1ccccc1Nc1ccc(C#N)cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402429 | 98124 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 386 | 4 | 3 | 5 | 3.4 | Cc1ccccc1Nc1ccc(C#N)cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1016/j.ejmech.2013.04.033 | ||
| 15290042 | 21645 | 0 | None | -162 | 2 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 395 | 6 | 2 | 3 | 3.2 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1cccc3ccccc13)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1207638 | 21645 | 0 | None | -162 | 2 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 395 | 6 | 2 | 3 | 3.2 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1cccc3ccccc13)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL422441 | 21645 | 0 | None | -162 | 2 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 395 | 6 | 2 | 3 | 3.2 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1cccc3ccccc13)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 16757176 | 100059 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 465 | 12 | 2 | 7 | 4.4 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OCCC)cc1 | 10.1021/jm070427h | ||
| CHEMBL245036 | 100059 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 465 | 12 | 2 | 7 | 4.4 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OCCC)cc1 | 10.1021/jm070427h | ||
| 71740668 | 98112 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 390 | 4 | 3 | 5 | 3.2 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Nc1ccc(F)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402417 | 98112 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 390 | 4 | 3 | 5 | 3.2 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Nc1ccc(F)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 56680464 | 72234 | 0 | None | 7 | 2 | Mouse | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 461 | 9 | 2 | 4 | 3.8 | O=C1C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)CC(O)C1CC1CC1 | 10.1021/jm200980u | ||
| CHEMBL1829812 | 72234 | 0 | None | 7 | 2 | Mouse | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 461 | 9 | 2 | 4 | 3.8 | O=C1C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)CC(O)C1CC1CC1 | 10.1021/jm200980u | ||
| 22882112 | 210120 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 430 | 8 | 4 | 6 | 3.3 | O=C(O)CCC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL64977 | 210120 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 430 | 8 | 4 | 6 | 3.3 | O=C(O)CCC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 11676121 | 85097 | 4 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 420 | 9 | 3 | 6 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(C)cc1 | 10.1021/jm060108a | ||
| CHEMBL210964 | 85097 | 4 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 420 | 9 | 3 | 6 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(C)cc1 | 10.1021/jm060108a | ||
| 44385825 | 66462 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 388 | 12 | 1 | 3 | 5.3 | O=C(O)CCC/C=C\CC1C2CCC(O2)C1CSCCCc1ccccc1 | 10.1021/jm00125a009 | ||
| CHEMBL172265 | 66462 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 388 | 12 | 1 | 3 | 5.3 | O=C(O)CCC/C=C\CC1C2CCC(O2)C1CSCCCc1ccccc1 | 10.1021/jm00125a009 | ||
| 10686658 | 25635 | 1 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 313 | 9 | 1 | 5 | 2.9 | O=C(O)CCCCCO/N=C(\c1ccccc1)c1ccncn1 | 10.1021/jm960341g | ||
| CHEMBL128188 | 25635 | 1 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 313 | 9 | 1 | 5 | 2.9 | O=C(O)CCCCCO/N=C(\c1ccccc1)c1ccncn1 | 10.1021/jm960341g | ||
| 16756877 | 98961 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 393 | 6 | 2 | 6 | 3.1 | Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)C | 10.1021/jm070427h | ||
| CHEMBL242478 | 98961 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 393 | 6 | 2 | 6 | 3.1 | Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)C | 10.1021/jm070427h | ||
| 5311234 | 121917 | 25 | None | -257 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 390 | 11 | 4 | 5 | 2.5 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1 | 10.1021/jm010264b | ||
| CHEMBL334398 | 121917 | 25 | None | -257 | 4 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 390 | 11 | 4 | 5 | 2.5 | O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1 | 10.1021/jm010264b | ||
| 70684971 | 84629 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 436 | 9 | 3 | 6 | 3.7 | CC(C)(C)/N=C(\NC#N)Nc1cccc(/C(=N/OCCCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| CHEMBL2093006 | 84629 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 436 | 9 | 3 | 6 | 3.7 | CC(C)(C)/N=C(\NC#N)Nc1cccc(/C(=N/OCCCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| 44305522 | 209750 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 457 | 11 | 1 | 4 | 6.2 | O=C(O)CC/C=C\CC[C@@H]1[C@@H](c2cccnc2)OC[C@@H]1OCc1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(01)80104-9 | ||
| CHEMBL63040 | 209750 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 457 | 11 | 1 | 4 | 6.2 | O=C(O)CC/C=C\CC[C@@H]1[C@@H](c2cccnc2)OC[C@@H]1OCc1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(01)80104-9 | ||
| 18921515 | 21435 | 0 | None | 141 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 407 | 8 | 2 | 3 | 3.4 | O=C(O)Cc1ccc2c(c1)CC(CCCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1205659 | 21435 | 0 | None | 141 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 407 | 8 | 2 | 3 | 3.4 | O=C(O)Cc1ccc2c(c1)CC(CCCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL130170 | 21435 | 0 | None | 141 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 407 | 8 | 2 | 3 | 3.4 | O=C(O)Cc1ccc2c(c1)CC(CCCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 16755885 | 151530 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 437 | 6 | 2 | 7 | 3.5 | COc1cc(C)ccc1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1021/jm070427h | ||
| CHEMBL390899 | 151530 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 437 | 6 | 2 | 7 | 3.5 | COc1cc(C)ccc1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1021/jm070427h | ||
| 54669847 | 72227 | 0 | None | 4 | 2 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 405 | 7 | 2 | 4 | 3.4 | O=C1C=C(O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1 | 10.1021/jm200980u | ||
| CHEMBL1829805 | 72227 | 0 | None | 4 | 2 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 405 | 7 | 2 | 4 | 3.4 | O=C1C=C(O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1 | 10.1021/jm200980u | ||
| 11531590 | 84668 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 407 | 8 | 2 | 6 | 3.5 | CCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | ||
| CHEMBL209406 | 84668 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 407 | 8 | 2 | 6 | 3.5 | CCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | ||
| 44304533 | 107387 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 416 | 7 | 4 | 6 | 2.9 | O=C(O)CC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL291865 | 107387 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 416 | 7 | 4 | 6 | 2.9 | O=C(O)CC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 44304296 | 209809 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 405 | 6 | 4 | 4 | 3.6 | O=C(O)CC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3cccc(Cl)c3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL63382 | 209809 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 405 | 6 | 4 | 4 | 3.6 | O=C(O)CC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3cccc(Cl)c3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 23276769 | 27136 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 367 | 8 | 1 | 5 | 3.5 | O=C(O)CCCCO/N=C(/c1cccc(C(F)(F)F)c1)c1ncccn1 | 10.1021/jm960341g | ||
| CHEMBL130623 | 27136 | 0 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 367 | 8 | 1 | 5 | 3.5 | O=C(O)CCCCO/N=C(/c1cccc(C(F)(F)F)c1)c1ncccn1 | 10.1021/jm960341g | ||
| 10546960 | 210134 | 0 | None | -6 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 367 | 8 | 2 | 3 | 2.9 | O=C(O)CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/ml5002085 | ||
| CHEMBL65121 | 210134 | 0 | None | -6 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 367 | 8 | 2 | 3 | 2.9 | O=C(O)CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/ml5002085 | ||
| 16757380 | 99386 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 471 | 5 | 2 | 6 | 3.9 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Br)cc1 | 10.1021/jm070427h | ||
| CHEMBL243552 | 99386 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 471 | 5 | 2 | 6 | 3.9 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Br)cc1 | 10.1021/jm070427h | ||
| 11704760 | 84386 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 435 | 10 | 2 | 6 | 4.3 | CCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | ||
| CHEMBL208818 | 84386 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 435 | 10 | 2 | 6 | 4.3 | CCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | ||
| 71740311 | 98142 | 2 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 407 | 4 | 2 | 5 | 3.8 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Cl)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402576 | 98142 | 2 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 407 | 4 | 2 | 5 | 3.8 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Cl)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 16755885 | 151530 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 437 | 6 | 2 | 7 | 3.5 | COc1cc(C)ccc1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1021/jm070427h | ||
| CHEMBL390899 | 151530 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 437 | 6 | 2 | 7 | 3.5 | COc1cc(C)ccc1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1021/jm070427h | ||
| 5312142 | 85008 | 11 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 406 | 5 | 3 | 6 | 3.4 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm070427h | ||
| CHEMBL210602 | 85008 | 11 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 406 | 5 | 3 | 6 | 3.4 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm070427h | ||
| 5312142 | 85008 | 11 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 406 | 5 | 3 | 6 | 3.4 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | ||
| CHEMBL210602 | 85008 | 11 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 406 | 5 | 3 | 6 | 3.4 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | ||
| 54757770 | 72233 | 0 | None | -20 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 503 | 11 | 1 | 4 | 5.6 | CC(C)COC1=C(C(C)C)C(=O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1 | 10.1021/jm200980u | ||
| CHEMBL1829811 | 72233 | 0 | None | -20 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 503 | 11 | 1 | 4 | 5.6 | CC(C)COC1=C(C(C)C)C(=O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1 | 10.1021/jm200980u | ||
| 71740438 | 98106 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 451 | 4 | 2 | 5 | 3.9 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Br)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402411 | 98106 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 451 | 4 | 2 | 5 | 3.9 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Br)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 11662021 | 146331 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 434 | 9 | 3 | 6 | 4.1 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cc(C)cc(C)c1 | 10.1021/jm060108a | ||
| CHEMBL379659 | 146331 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 434 | 9 | 3 | 6 | 4.1 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cc(C)cc(C)c1 | 10.1021/jm060108a | ||
| 71138349 | 120790 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 405 | 7 | 2 | 4 | 3.6 | O=C1CCC(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)=C1O | 10.1016/j.bmcl.2014.07.047 | ||
| CHEMBL3326602 | 120790 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 405 | 7 | 2 | 4 | 3.6 | O=C1CCC(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)=C1O | 10.1016/j.bmcl.2014.07.047 | ||
| 15018459 | 106040 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 387 | 9 | 2 | 3 | 3.4 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL281849 | 106040 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 387 | 9 | 2 | 3 | 3.4 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 44386125 | 67145 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 298 | 9 | 1 | 3 | 3.7 | CCSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| CHEMBL174662 | 67145 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 298 | 9 | 1 | 3 | 3.7 | CCSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| 44292032 | 21556 | 0 | None | - | 1 | Rat | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 509 | 8 | 2 | 5 | 4.6 | CC(C)c1ccc2c(CCCC(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL1206700 | 21556 | 0 | None | - | 1 | Rat | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 509 | 8 | 2 | 5 | 4.6 | CC(C)c1ccc2c(CCCC(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL297989 | 21556 | 0 | None | - | 1 | Rat | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 509 | 8 | 2 | 5 | 4.6 | CC(C)c1ccc2c(CCCC(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| 10697301 | 90177 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 520 | 9 | 3 | 5 | 5.3 | CC(C)(C)/N=C(\Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1)NS(=O)(=O)c1ccccc1 | 10.1021/jm9707941 | ||
| CHEMBL21954 | 90177 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 520 | 9 | 3 | 5 | 5.3 | CC(C)(C)/N=C(\Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1)NS(=O)(=O)c1ccccc1 | 10.1021/jm9707941 | ||
| 11633215 | 146933 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 3.8 | Cc1ccc(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | ||
| CHEMBL380274 | 146933 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 3.8 | Cc1ccc(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | ||
| 11502680 | 105016 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 421 | 9 | 2 | 6 | 3.9 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | ||
| CHEMBL274415 | 105016 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 421 | 9 | 2 | 6 | 3.9 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | ||
| 11697902 | 85126 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 440 | 11 | 3 | 6 | 4.3 | CCCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 | 10.1021/jm060108a | ||
| CHEMBL211008 | 85126 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 440 | 11 | 3 | 6 | 4.3 | CCCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 | 10.1021/jm060108a | ||
| 44273436 | 105420 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 418 | 11 | 2 | 6 | 2.3 | O=C(O)COCCCC[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL277241 | 105420 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 418 | 11 | 2 | 6 | 2.3 | O=C(O)COCCCC[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 44386325 | 138624 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 374 | 11 | 1 | 3 | 5.0 | O=C(O)CCC/C=C\CC1C2CCC(O2)C1CSCCc1ccccc1 | 10.1021/jm00125a009 | ||
| CHEMBL369458 | 138624 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 374 | 11 | 1 | 3 | 5.0 | O=C(O)CCC/C=C\CC1C2CCC(O2)C1CSCCc1ccccc1 | 10.1021/jm00125a009 | ||
| 71740441 | 98109 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 499 | 4 | 2 | 5 | 3.7 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(I)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402414 | 98109 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 499 | 4 | 2 | 5 | 3.7 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(I)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 71740441 | 98109 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 499 | 4 | 2 | 5 | 3.7 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(I)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402414 | 98109 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 499 | 4 | 2 | 5 | 3.7 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(I)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 11531590 | 84668 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 407 | 8 | 2 | 6 | 3.5 | CCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | ||
| CHEMBL209406 | 84668 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 407 | 8 | 2 | 6 | 3.5 | CCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | ||
| 11661725 | 84634 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 420 | 5 | 3 | 6 | 3.7 | Cc1cccc(C)c1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1021/jm060108a | ||
| CHEMBL209306 | 84634 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 420 | 5 | 3 | 6 | 3.7 | Cc1cccc(C)c1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1021/jm060108a | ||
| 44273498 | 169163 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 400 | 9 | 2 | 5 | 2.8 | O=C(O)CC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL416551 | 169163 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 400 | 9 | 2 | 5 | 2.8 | O=C(O)CC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 71740311 | 98142 | 2 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 407 | 4 | 2 | 5 | 3.8 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Cl)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402576 | 98142 | 2 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 407 | 4 | 2 | 5 | 3.8 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Cl)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 16757179 | 100095 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 455 | 9 | 2 | 6 | 4.5 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)c(C)c1 | 10.1021/jm070427h | ||
| CHEMBL245263 | 100095 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 455 | 9 | 2 | 6 | 4.5 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)c(C)c1 | 10.1021/jm070427h | ||
| 44305481 | 209708 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 489 | 11 | 1 | 4 | 6.0 | O=C(O)CC/C=C\CC[C@@H]1[C@@H](c2cccnc2)[S+]([O-])C[C@@H]1OCc1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(01)80103-7 | ||
| CHEMBL62852 | 209708 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 489 | 11 | 1 | 4 | 6.0 | O=C(O)CC/C=C\CC[C@@H]1[C@@H](c2cccnc2)[S+]([O-])C[C@@H]1OCc1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(01)80103-7 | ||
| 11567679 | 84523 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.5 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | ||
| CHEMBL209035 | 84523 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.5 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | ||
| 70685025 | 84743 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 352 | 12 | 1 | 3 | 5.1 | CCC/C=C\CSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| CHEMBL2096755 | 84743 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 352 | 12 | 1 | 3 | 5.1 | CCC/C=C\CSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| 16757268 | 99062 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 431 | 5 | 2 | 7 | 3.2 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N/C(=N\C#N)NC(C)(C)C)cc1 | 10.1021/jm070427h | ||
| CHEMBL242687 | 99062 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 431 | 5 | 2 | 7 | 3.2 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N/C(=N\C#N)NC(C)(C)C)cc1 | 10.1021/jm070427h | ||
| 11567679 | 84523 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.5 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | ||
| CHEMBL209035 | 84523 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.5 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | ||
| 11704760 | 84386 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 435 | 10 | 2 | 6 | 4.3 | CCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | ||
| CHEMBL208818 | 84386 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 435 | 10 | 2 | 6 | 4.3 | CCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | ||
| 44304557 | 209665 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 414 | 8 | 3 | 5 | 4.3 | O=C(O)CCC/C=C1\C[C@@H]2[C@@H](/C=N/NC(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL62671 | 209665 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 414 | 8 | 3 | 5 | 4.3 | O=C(O)CCC/C=C1\C[C@@H]2[C@@H](/C=N/NC(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 16756982 | 100091 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 485 | 9 | 2 | 6 | 4.3 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(Br)c1 | 10.1021/jm070427h | ||
| CHEMBL245254 | 100091 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 485 | 9 | 2 | 6 | 4.3 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(Br)c1 | 10.1021/jm070427h | ||
| 71740438 | 98106 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 451 | 4 | 2 | 5 | 3.9 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Br)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402411 | 98106 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 451 | 4 | 2 | 5 | 3.9 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Br)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 71138563 | 121286 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 481 | 8 | 2 | 4 | 5.0 | O=C1C(c2ccccc2)=C(O)CC1Cc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/ml5002085 | ||
| CHEMBL3335482 | 121286 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 481 | 8 | 2 | 4 | 5.0 | O=C1C(c2ccccc2)=C(O)CC1Cc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/ml5002085 | ||
| 16757379 | 100090 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 471 | 5 | 2 | 6 | 3.9 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(Br)c1 | 10.1021/jm070427h | ||
| CHEMBL245253 | 100090 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 471 | 5 | 2 | 6 | 3.9 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(Br)c1 | 10.1021/jm070427h | ||
| 15290041 | 21443 | 0 | None | - | 1 | Rat | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 359 | 7 | 2 | 3 | 2.1 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)Cc1ccccc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1205676 | 21443 | 0 | None | - | 1 | Rat | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 359 | 7 | 2 | 3 | 2.1 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)Cc1ccccc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL132573 | 21443 | 0 | None | - | 1 | Rat | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 359 | 7 | 2 | 3 | 2.1 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)Cc1ccccc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 117631097 | 122645 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 525 | 6 | 2 | 4 | 5.4 | O=C1C(c2ccc(F)cc2)=C(O)CC1Cc1cccc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1021/ml5002085 | ||
| CHEMBL3354615 | 122645 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 525 | 6 | 2 | 4 | 5.4 | O=C1C(c2ccc(F)cc2)=C(O)CC1Cc1cccc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1021/ml5002085 | ||
| 44304559 | 107361 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 455 | 7 | 4 | 5 | 3.5 | O=C(O)COC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL291651 | 107361 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 455 | 7 | 4 | 5 | 3.5 | O=C(O)COC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 44304263 | 209838 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 430 | 8 | 4 | 6 | 3.3 | O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL63602 | 209838 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 430 | 8 | 4 | 6 | 3.3 | O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 22882110 | 209983 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 419 | 7 | 4 | 4 | 4.0 | O=C(O)CCC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3cccc(Cl)c3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL64349 | 209983 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 419 | 7 | 4 | 4 | 4.0 | O=C(O)CCC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3cccc(Cl)c3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 11510008 | 84057 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 420 | 9 | 3 | 6 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(C)c1 | 10.1021/jm060108a | ||
| CHEMBL208115 | 84057 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 420 | 9 | 3 | 6 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(C)c1 | 10.1021/jm060108a | ||
| 22882095 | 107799 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 405 | 6 | 4 | 4 | 3.6 | O=C(O)CC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3cccc(Cl)c3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL294516 | 107799 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 405 | 6 | 4 | 4 | 3.6 | O=C(O)CC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3cccc(Cl)c3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 22882098 | 210029 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 371 | 6 | 4 | 4 | 3.0 | O=C(O)CC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccccc3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL64561 | 210029 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 371 | 6 | 4 | 4 | 3.0 | O=C(O)CC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccccc3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 44273539 | 86585 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 367 | 9 | 2 | 3 | 3.3 | O=C(O)CC/C=C\CC1=CCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL21203 | 86585 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 367 | 9 | 2 | 3 | 3.3 | O=C(O)CC/C=C\CC1=CCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| 44273524 | 106107 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 380 | 9 | 2 | 5 | 2.8 | O=C(O)CC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL282225 | 106107 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 380 | 9 | 2 | 5 | 2.8 | O=C(O)CC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] | 10.1016/0960-894X(95)00199-4 | ||
| 11683470 | 84138 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 433 | 6 | 2 | 6 | 4.0 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC2CCCCC2)cc1 | 10.1021/jm060108a | ||
| CHEMBL208543 | 84138 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 433 | 6 | 2 | 6 | 4.0 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC2CCCCC2)cc1 | 10.1021/jm060108a | ||
| 44304222 | 207097 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 387 | 7 | 4 | 5 | 2.2 | O=C(O)COC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccccc3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL59745 | 207097 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 387 | 7 | 4 | 5 | 2.2 | O=C(O)COC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccccc3)[C@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 44273260 | 105454 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 403 | 11 | 2 | 3 | 3.9 | O=C(O)CCCCCC[C@@H]1[C@@H](CNS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL277460 | 105454 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 403 | 11 | 2 | 3 | 3.9 | O=C(O)CCCCCC[C@@H]1[C@@H](CNS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 10451585 | 29085 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 367 | 8 | 1 | 5 | 3.5 | O=C(O)CCCCO/N=C(/c1ccnnc1)c1cccc(C(F)(F)F)c1 | 10.1021/jm960341g | ||
| CHEMBL132385 | 29085 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 367 | 8 | 1 | 5 | 3.5 | O=C(O)CCCCO/N=C(/c1ccnnc1)c1cccc(C(F)(F)F)c1 | 10.1021/jm960341g | ||
| 10546960 | 210134 | 0 | None | -6 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 367 | 8 | 2 | 3 | 2.9 | O=C(O)CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/jm200980u | ||
| CHEMBL65121 | 210134 | 0 | None | -6 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 367 | 8 | 2 | 3 | 2.9 | O=C(O)CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/jm200980u | ||
| 10764758 | 91670 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 423 | 9 | 4 | 4 | 3.9 | CC(C)C/N=C(/NC(N)=O)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| CHEMBL22363 | 91670 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 423 | 9 | 4 | 4 | 3.9 | CC(C)C/N=C(/NC(N)=O)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| 71740056 | 98114 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 373 | 5 | 2 | 5 | 3.1 | Cc1ccccc1Oc1ccc(C#N)cc1S(=O)(=O)NC(=O)NC(C)C | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402419 | 98114 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 373 | 5 | 2 | 5 | 3.1 | Cc1ccccc1Oc1ccc(C#N)cc1S(=O)(=O)NC(=O)NC(C)C | 10.1016/j.ejmech.2013.04.033 | ||
| 5312142 | 85008 | 11 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 406 | 5 | 3 | 6 | 3.4 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL210602 | 85008 | 11 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 406 | 5 | 3 | 6 | 3.4 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 44273538 | 105477 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 369 | 10 | 2 | 3 | 3.6 | O=C(O)CCCCCCC1=CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL277629 | 105477 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 369 | 10 | 2 | 3 | 3.6 | O=C(O)CCCCCCC1=CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| 71740185 | 98122 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 401 | 8 | 2 | 5 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402427 | 98122 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 401 | 8 | 2 | 5 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 44273447 | 82970 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 437 | 9 | 2 | 3 | 4.6 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL20583 | 82970 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 437 | 9 | 2 | 3 | 4.6 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 44385450 | 137076 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 370 | 13 | 1 | 3 | 4.3 | CCCCCC[S+]([O-])CC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| CHEMBL368006 | 137076 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 370 | 13 | 1 | 3 | 4.3 | CCCCCC[S+]([O-])CC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| 54758053 | 72223 | 0 | None | -8 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 391 | 8 | 2 | 5 | 2.2 | O=S(=O)(NCCc1cccc(CCc2nn[nH]n2)c1)c1ccc(Cl)cc1 | 10.1021/jm200980u | ||
| CHEMBL1829801 | 72223 | 0 | None | -8 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 391 | 8 | 2 | 5 | 2.2 | O=S(=O)(NCCc1cccc(CCc2nn[nH]n2)c1)c1ccc(Cl)cc1 | 10.1021/jm200980u | ||
| 11568384 | 84571 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 440 | 7 | 3 | 6 | 3.8 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NCc2ccccc2)cc1 | 10.1021/jm060108a | ||
| CHEMBL209245 | 84571 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 440 | 7 | 3 | 6 | 3.8 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NCc2ccccc2)cc1 | 10.1021/jm060108a | ||
| 11647396 | 84557 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 418 | 5 | 2 | 6 | 3.5 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)N2CCCCC2)cc1 | 10.1021/jm060108a | ||
| CHEMBL209168 | 84557 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 418 | 5 | 2 | 6 | 3.5 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)N2CCCCC2)cc1 | 10.1021/jm060108a | ||
| 71740669 | 98113 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 404 | 8 | 3 | 5 | 3.6 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Nc1ccc(F)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402418 | 98113 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 404 | 8 | 3 | 5 | 3.6 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Nc1ccc(F)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 44273475 | 81368 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 405 | 11 | 2 | 4 | 2.7 | O=C(O)COCCCC[C@@H]1[C@@H](CNS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL20298 | 81368 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 405 | 11 | 2 | 4 | 2.7 | O=C(O)COCCCC[C@@H]1[C@@H](CNS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 44273402 | 82734 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 387 | 9 | 2 | 3 | 3.3 | O=C(O)CC/C=C\C[C@@H]1[C@@H](CNS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL20525 | 82734 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 387 | 9 | 2 | 3 | 3.3 | O=C(O)CC/C=C\C[C@@H]1[C@@H](CNS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 44273412 | 84035 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 387 | 9 | 2 | 3 | 3.3 | O=C(O)CC/C=C\C[C@H]1[C@@H](F)CC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL20797 | 84035 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 387 | 9 | 2 | 3 | 3.3 | O=C(O)CC/C=C\C[C@H]1[C@@H](F)CC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1 | 10.1016/0960-894X(95)00199-4 | ||
| 44304226 | 207286 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 403 | 7 | 3 | 3 | 5.1 | O=C(O)CCC/C=C1/C[C@@H]2[C@@H](/C=N/NC(=O)Nc3cccc(Cl)c3)CC[C@@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL59875 | 207286 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 403 | 7 | 3 | 3 | 5.1 | O=C(O)CCC/C=C1/C[C@@H]2[C@@H](/C=N/NC(=O)Nc3cccc(Cl)c3)CC[C@@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 44292083 | 21389 | 0 | None | - | 1 | Rat | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 475 | 8 | 2 | 5 | 4.0 | CC(C)c1ccc2c(CCCC(=O)NS(=O)(=O)c3ccccc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL1205041 | 21389 | 0 | None | - | 1 | Rat | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 475 | 8 | 2 | 5 | 4.0 | CC(C)c1ccc2c(CCCC(=O)NS(=O)(=O)c3ccccc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL45623 | 21389 | 0 | None | - | 1 | Rat | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 475 | 8 | 2 | 5 | 4.0 | CC(C)c1ccc2c(CCCC(=O)NS(=O)(=O)c3ccccc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| 18921514 | 21575 | 0 | None | 117 | 2 | Rat | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 379 | 6 | 2 | 3 | 3.1 | O=C(O)c1ccc2c(c1)CC(CCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1207018 | 21575 | 0 | None | 117 | 2 | Rat | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 379 | 6 | 2 | 3 | 3.1 | O=C(O)c1ccc2c(c1)CC(CCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL336352 | 21575 | 0 | None | 117 | 2 | Rat | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 379 | 6 | 2 | 3 | 3.1 | O=C(O)c1ccc2c(c1)CC(CCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 18921516 | 21578 | 0 | None | -77 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 393 | 7 | 2 | 3 | 3.5 | O=C(O)c1ccc2c(c1)CC(CCCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1207036 | 21578 | 0 | None | -77 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 393 | 7 | 2 | 3 | 3.5 | O=C(O)c1ccc2c(c1)CC(CCCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL339994 | 21578 | 0 | None | -77 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 393 | 7 | 2 | 3 | 3.5 | O=C(O)c1ccc2c(c1)CC(CCCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 11502680 | 105016 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 421 | 9 | 2 | 6 | 3.9 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | ||
| CHEMBL274415 | 105016 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 421 | 9 | 2 | 6 | 3.9 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | ||
| 16757375 | 98962 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 407 | 8 | 2 | 6 | 3.5 | CCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1C | 10.1021/jm070427h | ||
| CHEMBL242479 | 98962 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 407 | 8 | 2 | 6 | 3.5 | CCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1C | 10.1021/jm070427h | ||
| 71740669 | 98113 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 404 | 8 | 3 | 5 | 3.6 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Nc1ccc(F)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402418 | 98113 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 404 | 8 | 3 | 5 | 3.6 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Nc1ccc(F)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 71740182 | 98119 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 401 | 8 | 2 | 5 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1cccc(C)c1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402424 | 98119 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 401 | 8 | 2 | 5 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1cccc(C)c1 | 10.1016/j.ejmech.2013.04.033 | ||
| 71740184 | 98121 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 387 | 4 | 2 | 5 | 3.4 | Cc1ccc(Oc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402426 | 98121 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 387 | 4 | 2 | 5 | 3.4 | Cc1ccc(Oc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 44273483 | 81625 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 394 | 10 | 2 | 5 | 3.2 | O=C(O)CCC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL20316 | 81625 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 394 | 10 | 2 | 5 | 3.2 | O=C(O)CCC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-] | 10.1016/0960-894X(95)00199-4 | ||
| 16757379 | 100090 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 471 | 5 | 2 | 6 | 3.9 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(Br)c1 | 10.1021/jm070427h | ||
| CHEMBL245253 | 100090 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 471 | 5 | 2 | 6 | 3.9 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(Br)c1 | 10.1021/jm070427h | ||
| 71740181 | 98118 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 387 | 4 | 2 | 5 | 3.4 | Cc1cccc(Oc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)(C)C)c1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402423 | 98118 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 387 | 4 | 2 | 5 | 3.4 | Cc1cccc(Oc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)(C)C)c1 | 10.1016/j.ejmech.2013.04.033 | ||
| 16757483 | 150705 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 427 | 5 | 2 | 6 | 3.8 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(Cl)c1 | 10.1021/jm070427h | ||
| CHEMBL390217 | 150705 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 427 | 5 | 2 | 6 | 3.8 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(Cl)c1 | 10.1021/jm070427h | ||
| 10669026 | 87447 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 405 | 9 | 3 | 4 | 4.3 | CC(C)C/N=C(/NC#N)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| CHEMBL21513 | 87447 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 405 | 9 | 3 | 4 | 4.3 | CC(C)C/N=C(/NC#N)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| 10024143 | 81414 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 403 | 9 | 2 | 3 | 3.9 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL20300 | 81414 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 403 | 9 | 2 | 3 | 3.9 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 11683470 | 84138 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 433 | 6 | 2 | 6 | 4.0 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC2CCCCC2)cc1 | 10.1021/jm060108a | ||
| CHEMBL208543 | 84138 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 433 | 6 | 2 | 6 | 4.0 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC2CCCCC2)cc1 | 10.1021/jm060108a | ||
| 5312142 | 85008 | 11 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 406 | 5 | 3 | 6 | 3.4 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL210602 | 85008 | 11 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 406 | 5 | 3 | 6 | 3.4 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 44385826 | 67159 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 352 | 12 | 1 | 3 | 5.1 | CC/C=C/CCSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| CHEMBL174835 | 67159 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 352 | 12 | 1 | 3 | 5.1 | CC/C=C/CCSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| 44386126 | 105399 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 372 | 13 | 1 | 4 | 5.2 | CCCCSCSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| CHEMBL277056 | 105399 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 372 | 13 | 1 | 4 | 5.2 | CCCCSCSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| 44387119 | 136259 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 330 | 10 | 1 | 4 | 4.0 | CSCSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| CHEMBL367261 | 136259 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 330 | 10 | 1 | 4 | 4.0 | CSCSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| 10543197 | 28029 | 1 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 313 | 9 | 1 | 5 | 2.9 | O=C(O)CCCCCO/N=C(\c1ccccc1)c1ccnnc1 | 10.1021/jm960341g | ||
| CHEMBL131334 | 28029 | 1 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 313 | 9 | 1 | 5 | 2.9 | O=C(O)CCCCCO/N=C(\c1ccccc1)c1ccnnc1 | 10.1021/jm960341g | ||
| 10518243 | 27699 | 1 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 299 | 8 | 1 | 5 | 2.5 | O=C(O)CCCCO/N=C(/c1ccccc1)c1cccnn1 | 10.1021/jm960341g | ||
| CHEMBL131088 | 27699 | 1 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 299 | 8 | 1 | 5 | 2.5 | O=C(O)CCCCO/N=C(/c1ccccc1)c1cccnn1 | 10.1021/jm960341g | ||
| 10756559 | 123436 | 1 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 299 | 8 | 1 | 5 | 2.5 | O=C(O)CCCCO/N=C(/c1ccccc1)c1cncnc1 | 10.1021/jm960341g | ||
| CHEMBL337048 | 123436 | 1 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 299 | 8 | 1 | 5 | 2.5 | O=C(O)CCCCO/N=C(/c1ccccc1)c1cncnc1 | 10.1021/jm960341g | ||
| 44387045 | 172989 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 369 | 12 | 2 | 4 | 3.2 | CCCNC(=O)CSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| CHEMBL426586 | 172989 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 369 | 12 | 2 | 4 | 3.2 | CCCNC(=O)CSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| 18921515 | 21435 | 0 | None | -141 | 2 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 407 | 8 | 2 | 3 | 3.4 | O=C(O)Cc1ccc2c(c1)CC(CCCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1205659 | 21435 | 0 | None | -141 | 2 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 407 | 8 | 2 | 3 | 3.4 | O=C(O)Cc1ccc2c(c1)CC(CCCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL130170 | 21435 | 0 | None | -141 | 2 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 407 | 8 | 2 | 3 | 3.4 | O=C(O)Cc1ccc2c(c1)CC(CCCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 71740443 | 98123 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 372 | 5 | 3 | 5 | 3.0 | Cc1ccccc1Nc1ccc(C#N)cc1S(=O)(=O)NC(=O)NC(C)C | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402428 | 98123 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 372 | 5 | 3 | 5 | 3.0 | Cc1ccccc1Nc1ccc(C#N)cc1S(=O)(=O)NC(=O)NC(C)C | 10.1016/j.ejmech.2013.04.033 | ||
| 16757483 | 150705 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 427 | 5 | 2 | 6 | 3.8 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(Cl)c1 | 10.1021/jm070427h | ||
| CHEMBL390217 | 150705 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 427 | 5 | 2 | 6 | 3.8 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(Cl)c1 | 10.1021/jm070427h | ||
| 16757177 | 151523 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 451 | 11 | 2 | 7 | 4.0 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OCC)cc1 | 10.1021/jm070427h | ||
| CHEMBL390897 | 151523 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 451 | 11 | 2 | 7 | 4.0 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OCC)cc1 | 10.1021/jm070427h | ||
| 71740184 | 98121 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 387 | 4 | 2 | 5 | 3.4 | Cc1ccc(Oc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402426 | 98121 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 387 | 4 | 2 | 5 | 3.4 | Cc1ccc(Oc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 44273500 | 83397 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 373 | 8 | 2 | 3 | 3.0 | O=C(O)CC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| CHEMBL20635 | 83397 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 373 | 8 | 2 | 3 | 3.0 | O=C(O)CC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F | 10.1016/0960-894X(95)00199-4 | ||
| 11662021 | 146331 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 434 | 9 | 3 | 6 | 4.1 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cc(C)cc(C)c1 | 10.1021/jm060108a | ||
| CHEMBL379659 | 146331 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 434 | 9 | 3 | 6 | 4.1 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cc(C)cc(C)c1 | 10.1021/jm060108a | ||
| 10670440 | 87281 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 433 | 9 | 3 | 4 | 5.2 | CC(C)(C)/N=C(\NC#N)Nc1cccc(/C(=C\CCCCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| CHEMBL21476 | 87281 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 433 | 9 | 3 | 4 | 5.2 | CC(C)(C)/N=C(\NC#N)Nc1cccc(/C(=C\CCCCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| 71451008 | 86492 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 489 | 11 | 1 | 4 | 6.0 | O=C(O)CC/C=C\CC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)C[S@@+]([O-])[C@@H]1c1cccnc1 | 10.1016/S0960-894X(01)80103-7 | ||
| CHEMBL2115559 | 86492 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 489 | 11 | 1 | 4 | 6.0 | O=C(O)CC/C=C\CC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)C[S@@+]([O-])[C@@H]1c1cccnc1 | 10.1016/S0960-894X(01)80103-7 | ||
| 3356 | 9060 | 73 | None | -165 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1021/jm0603668 | ||
| 4326 | 9060 | 73 | None | -165 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1021/jm0603668 | ||
| 9867642 | 9060 | 73 | None | -165 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1021/jm0603668 | ||
| CHEMBL426559 | 9060 | 73 | None | -165 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1021/jm0603668 | ||
| DB11629 | 9060 | 73 | None | -165 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1021/jm0603668 | ||
| 10591274 | 122876 | 1 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 313 | 9 | 1 | 5 | 2.9 | O=C(O)CCCCCO/N=C(/c1ccccc1)c1ccnnc1 | 10.1021/jm960341g | ||
| CHEMBL335717 | 122876 | 1 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 313 | 9 | 1 | 5 | 2.9 | O=C(O)CCCCCO/N=C(/c1ccccc1)c1ccnnc1 | 10.1021/jm960341g | ||
| 18921514 | 21575 | 0 | None | -117 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 379 | 6 | 2 | 3 | 3.1 | O=C(O)c1ccc2c(c1)CC(CCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1207018 | 21575 | 0 | None | -117 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 379 | 6 | 2 | 3 | 3.1 | O=C(O)c1ccc2c(c1)CC(CCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL336352 | 21575 | 0 | None | -117 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 379 | 6 | 2 | 3 | 3.1 | O=C(O)c1ccc2c(c1)CC(CCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 44353308 | 21579 | 0 | None | -54 | 2 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 339 | 9 | 2 | 3 | 2.1 | CCCCCS(=O)(=O)NCC1Cc2ccc(CC(=O)O)cc2C1 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1207038 | 21579 | 0 | None | -54 | 2 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 339 | 9 | 2 | 3 | 2.1 | CCCCCS(=O)(=O)NCC1Cc2ccc(CC(=O)O)cc2C1 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL340073 | 21579 | 0 | None | -54 | 2 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 339 | 9 | 2 | 3 | 2.1 | CCCCCS(=O)(=O)NCC1Cc2ccc(CC(=O)O)cc2C1 | 10.1016/s0960-894x(99)00014-1 | ||
| 71740667 | 98111 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 376 | 5 | 3 | 5 | 2.8 | CC(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Nc1ccc(F)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402416 | 98111 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 376 | 5 | 3 | 5 | 2.8 | CC(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Nc1ccc(F)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 71740557 | 98125 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 400 | 8 | 3 | 5 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Nc1ccccc1C | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402430 | 98125 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 400 | 8 | 3 | 5 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Nc1ccccc1C | 10.1016/j.ejmech.2013.04.033 | ||
| 44305550 | 210196 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 457 | 11 | 1 | 4 | 6.2 | O=C(O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CO[C@H]1c1cccnc1 | 10.1016/S0960-894X(01)80104-9 | ||
| CHEMBL65622 | 210196 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 457 | 11 | 1 | 4 | 6.2 | O=C(O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CO[C@H]1c1cccnc1 | 10.1016/S0960-894X(01)80104-9 | ||
| 54758053 | 72223 | 0 | None | 8 | 2 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 391 | 8 | 2 | 5 | 2.2 | O=S(=O)(NCCc1cccc(CCc2nn[nH]n2)c1)c1ccc(Cl)cc1 | 10.1021/jm200980u | ||
| CHEMBL1829801 | 72223 | 0 | None | 8 | 2 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 391 | 8 | 2 | 5 | 2.2 | O=S(=O)(NCCc1cccc(CCc2nn[nH]n2)c1)c1ccc(Cl)cc1 | 10.1021/jm200980u | ||
| 123879 | 10060 | 82 | None | 1 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1021/jm049036i | ||
| 1910 | 10060 | 82 | None | 1 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1021/jm049036i | ||
| 1911 | 10060 | 82 | None | 1 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1021/jm049036i | ||
| 2354 | 10060 | 82 | None | 1 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1021/jm049036i | ||
| CHEMBL361812 | 10060 | 82 | None | 1 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1021/jm049036i | ||
| DB13036 | 10060 | 82 | None | 1 | 6 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1021/jm049036i | ||
| 11597294 | 172955 | 4 | None | -33 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 435 | 4 | 1 | 2 | 5.7 | O=C(O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21 | 10.1021/jm0603668 | ||
| CHEMBL426387 | 172955 | 4 | None | -33 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 435 | 4 | 1 | 2 | 5.7 | O=C(O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21 | 10.1021/jm0603668 | ||
| 11568248 | 145433 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 434 | 9 | 3 | 6 | 4.1 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1c(C)cccc1C | 10.1021/jm060108a | ||
| CHEMBL377679 | 145433 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 434 | 9 | 3 | 6 | 4.1 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1c(C)cccc1C | 10.1021/jm060108a | ||
| 11633215 | 146933 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 3.8 | Cc1ccc(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | ||
| CHEMBL380274 | 146933 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 3.8 | Cc1ccc(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | ||
| 44305343 | 107458 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 473 | 11 | 1 | 4 | 6.9 | O=C(O)CC/C=C\CC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CS[C@@H]1c1cccnc1 | 10.1016/S0960-894X(01)80103-7 | ||
| CHEMBL292331 | 107458 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 473 | 11 | 1 | 4 | 6.9 | O=C(O)CC/C=C\CC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CS[C@@H]1c1cccnc1 | 10.1016/S0960-894X(01)80103-7 | ||
| 10548488 | 85053 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 391 | 6 | 3 | 4 | 4.0 | CC(C)(C)/N=C(\NC#N)Nc1cccc(/C(=C\CCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| CHEMBL21072 | 85053 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 391 | 6 | 3 | 4 | 4.0 | CC(C)(C)/N=C(\NC#N)Nc1cccc(/C(=C\CCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| 11604299 | 146360 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 426 | 10 | 3 | 6 | 3.9 | CCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 | 10.1021/jm060108a | ||
| CHEMBL379736 | 146360 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 426 | 10 | 3 | 6 | 3.9 | CCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 | 10.1021/jm060108a | ||
| 71740667 | 98111 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 376 | 5 | 3 | 5 | 2.8 | CC(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Nc1ccc(F)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402416 | 98111 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 376 | 5 | 3 | 5 | 2.8 | CC(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Nc1ccc(F)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 44305824 | 107775 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 457 | 11 | 1 | 4 | 6.2 | O=C(O)CC/C=C\CC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CO[C@H]1c1cccnc1 | 10.1016/S0960-894X(01)80104-9 | ||
| CHEMBL294353 | 107775 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 457 | 11 | 1 | 4 | 6.2 | O=C(O)CC/C=C\CC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CO[C@H]1c1cccnc1 | 10.1016/S0960-894X(01)80104-9 | ||
| 10552843 | 89980 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 483 | 8 | 3 | 4 | 5.6 | N#CN/C(=N/C12CC3CC(CC(C3)C1)C2)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| CHEMBL21852 | 89980 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 483 | 8 | 3 | 4 | 5.6 | N#CN/C(=N/C12CC3CC(CC(C3)C1)C2)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1021/jm9707941 | ||
| 10741449 | 85677 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 433 | 9 | 3 | 6 | 4.3 | CC(C)(C)Nc1c(Nc2cccc(/C(=C\CCCC(=O)O)c3cccnc3)c2)c(=O)c1=O | 10.1021/jm9707941 | ||
| CHEMBL2112933 | 85677 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 433 | 9 | 3 | 6 | 4.3 | CC(C)(C)Nc1c(Nc2cccc(/C(=C\CCCC(=O)O)c3cccnc3)c2)c(=O)c1=O | 10.1021/jm9707941 | ||
| 118718127 | 122054 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 354 | 13 | 1 | 3 | 5.3 | CCCCCCSC[C@H]1C2CC[C@@H](O2)[C@H]1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| CHEMBL3349042 | 122054 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 354 | 13 | 1 | 3 | 5.3 | CCCCCCSC[C@H]1C2CC[C@@H](O2)[C@H]1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | ||
| 11408533 | 148105 | 0 | None | -2089 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 459 | 6 | 1 | 5 | 4.5 | CC(=O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1016/j.bmcl.2006.02.062 | ||
| CHEMBL383484 | 148105 | 0 | None | -2089 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 459 | 6 | 1 | 5 | 4.5 | CC(=O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1016/j.bmcl.2006.02.062 | ||
| 11408533 | 148105 | 0 | None | -2089 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 459 | 6 | 1 | 5 | 4.5 | CC(=O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1021/jm0603668 | ||
| CHEMBL383484 | 148105 | 0 | None | -2089 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 459 | 6 | 1 | 5 | 4.5 | CC(=O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1021/jm0603668 | ||
| 16756979 | 99091 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 393 | 6 | 2 | 6 | 3.1 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)C)cc1 | 10.1021/jm070427h | ||
| CHEMBL242904 | 99091 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 393 | 6 | 2 | 6 | 3.1 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)C)cc1 | 10.1021/jm070427h | ||
| 71740310 | 98141 | 2 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 393 | 5 | 2 | 5 | 3.4 | CC(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Cl)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402575 | 98141 | 2 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 393 | 5 | 2 | 5 | 3.4 | CC(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Cl)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 15290043 | 21574 | 0 | None | 33 | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 351 | 6 | 2 | 4 | 2.1 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1cccs1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1207012 | 21574 | 0 | None | 33 | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 351 | 6 | 2 | 4 | 2.1 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1cccs1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL335043 | 21574 | 0 | None | 33 | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 351 | 6 | 2 | 4 | 2.1 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1cccs1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 18921516 | 21578 | 0 | None | 77 | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 393 | 7 | 2 | 3 | 3.5 | O=C(O)c1ccc2c(c1)CC(CCCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1207036 | 21578 | 0 | None | 77 | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 393 | 7 | 2 | 3 | 3.5 | O=C(O)c1ccc2c(c1)CC(CCCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL339994 | 21578 | 0 | None | 77 | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 393 | 7 | 2 | 3 | 3.5 | O=C(O)c1ccc2c(c1)CC(CCCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 71740562 | 98130 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 386 | 4 | 3 | 5 | 3.4 | Cc1ccc(Nc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402435 | 98130 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 386 | 4 | 3 | 5 | 3.4 | Cc1ccc(Nc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 71740439 | 98107 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 465 | 8 | 2 | 5 | 4.3 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Br)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402412 | 98107 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 465 | 8 | 2 | 5 | 4.3 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Br)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 44291594 | 21390 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 509 | 10 | 2 | 4 | 6.0 | CC(C)c1ccc2c(CCCCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL1205044 | 21390 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 509 | 10 | 2 | 4 | 6.0 | CC(C)c1ccc2c(CCCCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL46338 | 21390 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 509 | 10 | 2 | 4 | 6.0 | CC(C)c1ccc2c(CCCCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| 44291637 | 21650 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 481 | 8 | 2 | 4 | 5.2 | CC(C)c1ccc2c(CCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL1207689 | 21650 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 481 | 8 | 2 | 4 | 5.2 | CC(C)c1ccc2c(CCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL430569 | 21650 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 481 | 8 | 2 | 4 | 5.2 | CC(C)c1ccc2c(CCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| 44386253 | 67204 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 386 | 11 | 1 | 3 | 5.4 | O=C(O)CCC/C=C\CC1C2CCC(O2)C1CSC/C=C/c1ccccc1 | 10.1021/jm00125a009 | ||
| CHEMBL175178 | 67204 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 386 | 11 | 1 | 3 | 5.4 | O=C(O)CCC/C=C\CC1C2CCC(O2)C1CSC/C=C/c1ccccc1 | 10.1021/jm00125a009 | ||
| 71740312 | 98143 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 421 | 8 | 2 | 5 | 4.2 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Cl)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402577 | 98143 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 421 | 8 | 2 | 5 | 4.2 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Cl)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 71740056 | 98114 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 373 | 5 | 2 | 5 | 3.1 | Cc1ccccc1Oc1ccc(C#N)cc1S(=O)(=O)NC(=O)NC(C)C | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402419 | 98114 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 373 | 5 | 2 | 5 | 3.1 | Cc1ccccc1Oc1ccc(C#N)cc1S(=O)(=O)NC(=O)NC(C)C | 10.1016/j.ejmech.2013.04.033 | ||
| 44291863 | 21392 | 0 | None | - | 1 | Rat | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 447 | 8 | 2 | 4 | 4.5 | CC(C)c1ccc2c(CCCS(=O)(=O)Nc3ccccc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL1205050 | 21392 | 0 | None | - | 1 | Rat | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 447 | 8 | 2 | 4 | 4.5 | CC(C)c1ccc2c(CCCS(=O)(=O)Nc3ccccc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL47510 | 21392 | 0 | None | - | 1 | Rat | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 447 | 8 | 2 | 4 | 4.5 | CC(C)c1ccc2c(CCCS(=O)(=O)Nc3ccccc3)cc(S(=O)(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| 44291496 | 175535 | 0 | None | - | 1 | Rat | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 425 | 9 | 2 | 3 | 5.4 | CC(C)c1ccc2c(CCCCS(=O)(=O)Nc3ccccc3)cc(C(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL43726 | 175535 | 0 | None | - | 1 | Rat | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 425 | 9 | 2 | 3 | 5.4 | CC(C)c1ccc2c(CCCCS(=O)(=O)Nc3ccccc3)cc(C(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| 16757484 | 99824 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 441 | 9 | 2 | 6 | 4.2 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1 | 10.1021/jm070427h | ||
| CHEMBL244188 | 99824 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 441 | 9 | 2 | 6 | 4.2 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1 | 10.1021/jm070427h | ||
| 71740312 | 98143 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 421 | 8 | 2 | 5 | 4.2 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Cl)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402577 | 98143 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 421 | 8 | 2 | 5 | 4.2 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Cl)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 16757487 | 100022 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 451 | 8 | 2 | 7 | 4.0 | CCCOc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm070427h | ||
| CHEMBL244819 | 100022 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 451 | 8 | 2 | 7 | 4.0 | CCCOc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm070427h | ||
| 16756877 | 98961 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 393 | 6 | 2 | 6 | 3.1 | Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)C | 10.1021/jm070427h | ||
| CHEMBL242478 | 98961 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 393 | 6 | 2 | 6 | 3.1 | Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)C | 10.1021/jm070427h | ||
| 16756979 | 99091 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 393 | 6 | 2 | 6 | 3.1 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)C)cc1 | 10.1021/jm070427h | ||
| CHEMBL242904 | 99091 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 393 | 6 | 2 | 6 | 3.1 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)C)cc1 | 10.1021/jm070427h | ||
| 44305538 | 108913 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 457 | 11 | 1 | 4 | 6.2 | O=C(O)CC/C=C\CC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CO[C@@H]1c1cccnc1 | 10.1016/S0960-894X(01)80104-9 | ||
| CHEMBL302457 | 108913 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 457 | 11 | 1 | 4 | 6.2 | O=C(O)CC/C=C\CC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CO[C@@H]1c1cccnc1 | 10.1016/S0960-894X(01)80104-9 | ||
| 10686657 | 26788 | 1 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 313 | 9 | 1 | 5 | 2.9 | O=C(O)CCCCCO/N=C(/c1ccccc1)c1cncnc1 | 10.1021/jm960341g | ||
| CHEMBL130341 | 26788 | 1 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 313 | 9 | 1 | 5 | 2.9 | O=C(O)CCCCCO/N=C(/c1ccccc1)c1cncnc1 | 10.1021/jm960341g | ||
| 16757485 | 99956 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 533 | 9 | 2 | 6 | 4.2 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(I)c1 | 10.1021/jm070427h | ||
| CHEMBL244401 | 99956 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 533 | 9 | 2 | 6 | 4.2 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(I)c1 | 10.1021/jm070427h | ||
| 118714500 | 121285 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 346 | 3 | 1 | 2 | 5.3 | Cc1cccc(C)c1C1=C(O)CC(Cc2cccc3c2CCCC3)C1=O | 10.1021/ml5002085 | ||
| CHEMBL3335481 | 121285 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 346 | 3 | 1 | 2 | 5.3 | Cc1cccc(C)c1C1=C(O)CC(Cc2cccc3c2CCCC3)C1=O | 10.1021/ml5002085 | ||
| 71138378 | 121287 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 487 | 8 | 2 | 4 | 5.4 | O=C1C(C2CCCCC2)=C(O)CC1Cc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/ml5002085 | ||
| CHEMBL3335483 | 121287 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 487 | 8 | 2 | 4 | 5.4 | O=C1C(C2CCCCC2)=C(O)CC1Cc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/ml5002085 | ||
| CHEMBL1829808 | 72230 | 0 | None | 18 | 2 | Mouse | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 433 | 8 | 2 | 4 | 4.2 | CCC1=C(O)CC(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1=O | 10.1021/jm200980u | ||
| 123879 | 10060 | 82 | None | 1 | 6 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1021/jm049036i | ||
| 1910 | 10060 | 82 | None | 1 | 6 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1021/jm049036i | ||
| 1911 | 10060 | 82 | None | 1 | 6 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1021/jm049036i | ||
| 2354 | 10060 | 82 | None | 1 | 6 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1021/jm049036i | ||
| CHEMBL361812 | 10060 | 82 | None | 1 | 6 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1021/jm049036i | ||
| DB13036 | 10060 | 82 | None | 1 | 6 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1021/jm049036i | ||
| 11661725 | 84634 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 420 | 5 | 3 | 6 | 3.7 | Cc1cccc(C)c1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1021/jm060108a | ||
| CHEMBL209306 | 84634 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 420 | 5 | 3 | 6 | 3.7 | Cc1cccc(C)c1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1021/jm060108a | ||
| 71740185 | 98122 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 401 | 8 | 2 | 5 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402427 | 98122 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 401 | 8 | 2 | 5 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(C)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 11647396 | 84557 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 418 | 5 | 2 | 6 | 3.5 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)N2CCCCC2)cc1 | 10.1021/jm060108a | ||
| CHEMBL209168 | 84557 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 418 | 5 | 2 | 6 | 3.5 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)N2CCCCC2)cc1 | 10.1021/jm060108a | ||
| 44304640 | 209608 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 437 | 7 | 3 | 3 | 5.7 | O=C(O)CCC/C=C1/C[C@@H]2[C@@H](/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)CC[C@@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| CHEMBL62410 | 209608 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 437 | 7 | 3 | 3 | 5.7 | O=C(O)CCC/C=C1/C[C@@H]2[C@@H](/C=N/NC(=O)Nc3ccc(Cl)c(Cl)c3)CC[C@@H]2C1 | 10.1016/S0960-894X(01)80876-3 | ||
| 54758054 | 72224 | 0 | None | 4 | 2 | Mouse | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 420 | 8 | 3 | 6 | 1.8 | O=c1c(O)c(NCc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)c1=O | 10.1021/jm200980u | ||
| CHEMBL1829802 | 72224 | 0 | None | 4 | 2 | Mouse | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 420 | 8 | 3 | 6 | 1.8 | O=c1c(O)c(NCc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)c1=O | 10.1021/jm200980u | ||
| 44291693 | 188326 | 0 | None | - | 1 | Rat | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 445 | 8 | 2 | 3 | 5.6 | CC(C)c1ccc2c(CCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(C(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| CHEMBL47658 | 188326 | 0 | None | - | 1 | Rat | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 445 | 8 | 2 | 3 | 5.6 | CC(C)c1ccc2c(CCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(C(=O)O)c-2cc1 | 10.1016/S0960-894X(00)80043-8 | ||
| 71740558 | 98126 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 372 | 5 | 3 | 5 | 3.0 | Cc1cccc(Nc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)C)c1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402431 | 98126 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 372 | 5 | 3 | 5 | 3.0 | Cc1cccc(Nc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)C)c1 | 10.1016/j.ejmech.2013.04.033 | ||
| 71740313 | 98105 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 437 | 5 | 2 | 5 | 3.5 | CC(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Br)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402410 | 98105 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 437 | 5 | 2 | 5 | 3.5 | CC(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Br)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 11697902 | 85126 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 440 | 11 | 3 | 6 | 4.3 | CCCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 | 10.1021/jm060108a | ||
| CHEMBL211008 | 85126 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 440 | 11 | 3 | 6 | 4.3 | CCCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 | 10.1021/jm060108a | ||
| 71740307 | 98132 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 377 | 5 | 2 | 5 | 2.9 | CC(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(F)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402437 | 98132 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 377 | 5 | 2 | 5 | 2.9 | CC(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(F)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 71740309 | 98134 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 405 | 8 | 2 | 5 | 3.7 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(F)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402439 | 98134 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 405 | 8 | 2 | 5 | 3.7 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(F)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 71740310 | 98141 | 2 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 393 | 5 | 2 | 5 | 3.4 | CC(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Cl)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402575 | 98141 | 2 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 393 | 5 | 2 | 5 | 3.4 | CC(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Cl)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 71740313 | 98105 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 437 | 5 | 2 | 5 | 3.5 | CC(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Br)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402410 | 98105 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 437 | 5 | 2 | 5 | 3.5 | CC(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Br)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 71740440 | 98108 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 485 | 5 | 2 | 5 | 3.4 | CC(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(I)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402413 | 98108 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 485 | 5 | 2 | 5 | 3.4 | CC(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(I)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 71740442 | 98110 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 513 | 8 | 2 | 5 | 4.1 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(I)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402415 | 98110 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 513 | 8 | 2 | 5 | 4.1 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(I)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 16757082 | 99826 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 519 | 5 | 2 | 6 | 3.8 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(I)c1 | 10.1021/jm070427h | ||
| CHEMBL244190 | 99826 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 519 | 5 | 2 | 6 | 3.8 | CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(I)c1 | 10.1021/jm070427h | ||
| 10409713 | 21441 | 0 | None | -42 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 395 | 6 | 2 | 3 | 3.2 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc3ccccc3c1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1205668 | 21441 | 0 | None | -42 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 395 | 6 | 2 | 3 | 3.2 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc3ccccc3c1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL131497 | 21441 | 0 | None | -42 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 395 | 6 | 2 | 3 | 3.2 | O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc3ccccc3c1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 71740558 | 98126 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 372 | 5 | 3 | 5 | 3.0 | Cc1cccc(Nc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)C)c1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402431 | 98126 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 372 | 5 | 3 | 5 | 3.0 | Cc1cccc(Nc2ccc(C#N)cc2S(=O)(=O)NC(=O)NC(C)C)c1 | 10.1016/j.ejmech.2013.04.033 | ||
| 71740440 | 98108 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 485 | 5 | 2 | 5 | 3.4 | CC(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(I)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402413 | 98108 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 485 | 5 | 2 | 5 | 3.4 | CC(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(I)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 71740442 | 98110 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 513 | 8 | 2 | 5 | 4.1 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(I)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402415 | 98110 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 513 | 8 | 2 | 5 | 4.1 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(I)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 71740309 | 98134 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 405 | 8 | 2 | 5 | 3.7 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(F)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402439 | 98134 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 405 | 8 | 2 | 5 | 3.7 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(F)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 71740439 | 98107 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 465 | 8 | 2 | 5 | 4.3 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Br)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402412 | 98107 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 465 | 8 | 2 | 5 | 4.3 | CCCCCNC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(Br)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 71740307 | 98132 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 377 | 5 | 2 | 5 | 2.9 | CC(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(F)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| CHEMBL2402437 | 98132 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 377 | 5 | 2 | 5 | 2.9 | CC(C)NC(=O)NS(=O)(=O)c1cc(C#N)ccc1Oc1ccc(F)cc1 | 10.1016/j.ejmech.2013.04.033 | ||
| 18921519 | 21440 | 0 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 421 | 9 | 2 | 3 | 3.8 | O=C(O)Cc1ccc2c(c1)CC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL1205667 | 21440 | 0 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 421 | 9 | 2 | 3 | 3.8 | O=C(O)Cc1ccc2c(c1)CC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| CHEMBL131336 | 21440 | 0 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 421 | 9 | 2 | 3 | 3.8 | O=C(O)Cc1ccc2c(c1)CC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1016/s0960-894x(99)00014-1 | ||
| 16757484 | 99824 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 441 | 9 | 2 | 6 | 4.2 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1 | 10.1021/jm070427h | ||
| CHEMBL244188 | 99824 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 441 | 9 | 2 | 6 | 4.2 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1 | 10.1021/jm070427h | ||
| 16755884 | 100093 | 22 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 423 | 6 | 2 | 7 | 3.2 | COc1cccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)c1 | 10.1021/jm070427h | ||
| CHEMBL245261 | 100093 | 22 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 423 | 6 | 2 | 7 | 3.2 | COc1cccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)c1 | 10.1021/jm070427h | ||
| 44353162 | 27336 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4 | Functional | ChEMBL | 367 | 8 | 1 | 5 | 3.5 | O=C(O)CCCCO/N=C(\c1cccc(C(F)(F)F)c1)c1ncccn1 | 10.1021/jm960341g | ||
| CHEMBL130785 | 27336 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4 | Functional | ChEMBL | 367 | 8 | 1 | 5 | 3.5 | O=C(O)CCCCO/N=C(\c1cccc(C(F)(F)F)c1)c1ncccn1 | 10.1021/jm960341g | ||
| 44305299 | 210175 | 0 | None | - | 0 | Rat | 10.8 | pKd | = | 10.8 | Functional | ChEMBL | 457 | 10 | 2 | 3 | 4.5 | O=C(O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(Cc2ccccc2)c1 | 10.1016/s0960-894x(98)00242-x | ||
| CHEMBL65478 | 210175 | 0 | None | - | 0 | Rat | 10.8 | pKd | = | 10.8 | Functional | ChEMBL | 457 | 10 | 2 | 3 | 4.5 | O=C(O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(Cc2ccccc2)c1 | 10.1016/s0960-894x(98)00242-x | ||
| 9891134 | 209663 | 3 | None | - | 0 | Rat | 10.6 | pKd | = | 10.6 | Functional | ChEMBL | 475 | 10 | 2 | 3 | 4.6 | O=C(O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(Cc2ccc(F)cc2)c1 | 10.1016/s0960-894x(98)00242-x | ||
| CHEMBL62666 | 209663 | 3 | None | - | 0 | Rat | 10.6 | pKd | = | 10.6 | Functional | ChEMBL | 475 | 10 | 2 | 3 | 4.6 | O=C(O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(Cc2ccc(F)cc2)c1 | 10.1016/s0960-894x(98)00242-x | ||
| 19962365 | 210277 | 0 | None | - | 0 | Rat | 10.6 | pKd | = | 10.6 | Functional | ChEMBL | 501 | 11 | 2 | 5 | 4.1 | COc1ccc(C(=O)c2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc(CCC(=O)O)c2)cc1 | 10.1016/s0960-894x(98)00242-x | ||
| CHEMBL66194 | 210277 | 0 | None | - | 0 | Rat | 10.6 | pKd | = | 10.6 | Functional | ChEMBL | 501 | 11 | 2 | 5 | 4.1 | COc1ccc(C(=O)c2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc(CCC(=O)O)c2)cc1 | 10.1016/s0960-894x(98)00242-x | ||
| 19962395 | 210222 | 0 | None | - | 0 | Rat | 10.4 | pKd | = | 10.4 | Functional | ChEMBL | 496 | 10 | 2 | 5 | 4.0 | N#Cc1ccc(C(=O)c2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc(CCC(=O)O)c2)cc1 | 10.1016/s0960-894x(98)00242-x | ||
| CHEMBL65780 | 210222 | 0 | None | - | 0 | Rat | 10.4 | pKd | = | 10.4 | Functional | ChEMBL | 496 | 10 | 2 | 5 | 4.0 | N#Cc1ccc(C(=O)c2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc(CCC(=O)O)c2)cc1 | 10.1016/s0960-894x(98)00242-x | ||
| 44305435 | 210141 | 0 | None | - | 0 | Rat | 10.2 | pKd | = | 10.2 | Functional | ChEMBL | 487 | 11 | 2 | 4 | 4.5 | COc1ccccc1Cc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(CCC(=O)O)c1 | 10.1016/s0960-894x(98)00242-x | ||
| CHEMBL65167 | 210141 | 0 | None | - | 0 | Rat | 10.2 | pKd | = | 10.2 | Functional | ChEMBL | 487 | 11 | 2 | 4 | 4.5 | COc1ccccc1Cc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(CCC(=O)O)c1 | 10.1016/s0960-894x(98)00242-x | ||
| 44305171 | 210189 | 0 | None | - | 0 | Rat | 10.2 | pKd | = | 10.2 | Functional | ChEMBL | 535 | 11 | 2 | 5 | 3.9 | CS(=O)(=O)c1ccc(Cc2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc(CCC(=O)O)c2)cc1 | 10.1016/s0960-894x(98)00242-x | ||
| CHEMBL65571 | 210189 | 0 | None | - | 0 | Rat | 10.2 | pKd | = | 10.2 | Functional | ChEMBL | 535 | 11 | 2 | 5 | 3.9 | CS(=O)(=O)c1ccc(Cc2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc(CCC(=O)O)c2)cc1 | 10.1016/s0960-894x(98)00242-x | ||
| 44332831 | 11342 | 0 | None | - | 0 | Rat | 10.1 | pKd | = | 10.1 | Functional | ChEMBL | 495 | 10 | 2 | 5 | 4.1 | Cc1c(Cc2ccncc2)c2cc(CCC(=O)O)ccc2n1CCNS(=O)(=O)c1ccc(F)cc1 | 10.1016/0960-894X(95)00529-4 | ||
| CHEMBL102533 | 11342 | 0 | None | - | 0 | Rat | 10.1 | pKd | = | 10.1 | Functional | ChEMBL | 495 | 10 | 2 | 5 | 4.1 | Cc1c(Cc2ccncc2)c2cc(CCC(=O)O)ccc2n1CCNS(=O)(=O)c1ccc(F)cc1 | 10.1016/0960-894X(95)00529-4 | ||
| 44305385 | 109016 | 0 | None | - | 0 | Rat | 10.1 | pKd | = | 10.1 | Functional | ChEMBL | 475 | 10 | 2 | 3 | 4.6 | O=C(O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(Cc2cccc(F)c2)c1 | 10.1016/s0960-894x(98)00242-x | ||
| CHEMBL303097 | 109016 | 0 | None | - | 0 | Rat | 10.1 | pKd | = | 10.1 | Functional | ChEMBL | 475 | 10 | 2 | 3 | 4.6 | O=C(O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(Cc2cccc(F)c2)c1 | 10.1016/s0960-894x(98)00242-x | ||
| 19962368 | 210142 | 0 | None | - | 0 | Rat | 10.0 | pKd | = | 10 | Functional | ChEMBL | 489 | 10 | 2 | 4 | 4.2 | O=C(O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(C(=O)c2ccc(F)cc2)c1 | 10.1016/s0960-894x(98)00242-x | ||
| CHEMBL65175 | 210142 | 0 | None | - | 0 | Rat | 10.0 | pKd | = | 10 | Functional | ChEMBL | 489 | 10 | 2 | 4 | 4.2 | O=C(O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(C(=O)c2ccc(F)cc2)c1 | 10.1016/s0960-894x(98)00242-x | ||
| 18926588 | 175596 | 0 | None | - | 0 | Rat | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 482 | 9 | 2 | 5 | 4.7 | COc1ccc(S(=O)(=O)Nc2ccc3c(c2)c(Cc2ccc(F)cc2)cn3CCC(=O)O)cc1 | 10.1016/0960-894X(96)00299-5 | ||
| CHEMBL43770 | 175596 | 0 | None | - | 0 | Rat | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 482 | 9 | 2 | 5 | 4.7 | COc1ccc(S(=O)(=O)Nc2ccc3c(c2)c(Cc2ccc(F)cc2)cn3CCC(=O)O)cc1 | 10.1016/0960-894X(96)00299-5 | ||
| 19962351 | 210221 | 0 | None | - | 0 | Rat | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 491 | 10 | 3 | 4 | 4.1 | O=C(O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(C(O)c2ccc(F)cc2)c1 | 10.1016/s0960-894x(98)00242-x | ||
| CHEMBL65779 | 210221 | 0 | None | - | 0 | Rat | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 491 | 10 | 3 | 4 | 4.1 | O=C(O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(C(O)c2ccc(F)cc2)c1 | 10.1016/s0960-894x(98)00242-x | ||
| 18926534 | 175599 | 0 | None | - | 0 | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 486 | 8 | 2 | 4 | 5.3 | O=C(O)CCn1cc(Cc2ccc(F)cc2)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 | 10.1016/0960-894X(96)00299-5 | ||
| CHEMBL43772 | 175599 | 0 | None | - | 0 | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 486 | 8 | 2 | 4 | 5.3 | O=C(O)CCn1cc(Cc2ccc(F)cc2)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 | 10.1016/0960-894X(96)00299-5 | ||
| 18926517 | 186140 | 0 | None | - | 0 | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 466 | 8 | 2 | 4 | 5.0 | Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c(Cc2ccc(F)cc2)cn3CCC(=O)O)cc1 | 10.1016/0960-894X(96)00299-5 | ||
| CHEMBL47372 | 186140 | 0 | None | - | 0 | Rat | 9.6 | pKd | = | 9.6 | Functional | ChEMBL | 466 | 8 | 2 | 4 | 5.0 | Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c(Cc2ccc(F)cc2)cn3CCC(=O)O)cc1 | 10.1016/0960-894X(96)00299-5 | ||
| 10367276 | 103398 | 0 | None | - | 0 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 466 | 8 | 2 | 5 | 4.2 | O=C(O)CC/C=C\C[C@@H]1CN(S(=O)(=O)c2cccc3cnccc23)C[C@@H]1c1ccccc1O | 10.1016/0960-894X(96)00021-2 | ||
| CHEMBL263442 | 103398 | 0 | None | - | 0 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 466 | 8 | 2 | 5 | 4.2 | O=C(O)CC/C=C\C[C@@H]1CN(S(=O)(=O)c2cccc3cnccc23)C[C@@H]1c1ccccc1O | 10.1016/0960-894X(96)00021-2 | ||
| 19962400 | 210119 | 0 | None | - | 0 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 549 | 11 | 2 | 6 | 3.5 | CS(=O)(=O)c1ccc(C(=O)c2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc(CCC(=O)O)c2)cc1 | 10.1016/s0960-894x(98)00242-x | ||
| CHEMBL64971 | 210119 | 0 | None | - | 0 | Rat | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 549 | 11 | 2 | 6 | 3.5 | CS(=O)(=O)c1ccc(C(=O)c2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc(CCC(=O)O)c2)cc1 | 10.1016/s0960-894x(98)00242-x | ||
| 6604763 | 108593 | 15 | None | - | 0 | Human | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 402 | 7 | 2 | 4 | 5.3 | O=C(O)CC/C=C\C[C@@H]1CO[C@H](c2ccccc2Cl)O[C@@H]1c1ccccc1O | 10.1016/0960-894X(96)00021-2 | ||
| CHEMBL30024 | 108593 | 15 | None | - | 0 | Human | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 402 | 7 | 2 | 4 | 5.3 | O=C(O)CC/C=C\C[C@@H]1CO[C@H](c2ccccc2Cl)O[C@@H]1c1ccccc1O | 10.1016/0960-894X(96)00021-2 | ||
| 44294109 | 194495 | 0 | None | - | 0 | Rat | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 387 | 10 | 4 | 4 | 3.3 | O=C(O)CCC/C=C\C[C@H]1C2CCC(O2)[C@H]1CNNC(=O)Nc1ccccc1 | 10.1021/jm00168a032 | ||
| CHEMBL49535 | 194495 | 0 | None | - | 0 | Rat | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 387 | 10 | 4 | 4 | 3.3 | O=C(O)CCC/C=C\C[C@H]1C2CCC(O2)[C@H]1CNNC(=O)Nc1ccccc1 | 10.1021/jm00168a032 | ||
| 10321942 | 209760 | 0 | None | - | 0 | Rat | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 458 | 10 | 2 | 4 | 3.9 | O=C(O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(Cc2cccnc2)c1 | 10.1016/s0960-894x(98)00242-x | ||
| CHEMBL63090 | 209760 | 0 | None | - | 0 | Rat | 9.4 | pKd | = | 9.4 | Functional | ChEMBL | 458 | 10 | 2 | 4 | 3.9 | O=C(O)CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(Cc2cccnc2)c1 | 10.1016/s0960-894x(98)00242-x | ||
| 18926553 | 190691 | 0 | None | - | 0 | Rat | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 470 | 8 | 2 | 4 | 4.8 | O=C(O)CCn1cc(Cc2ccc(F)cc2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 | 10.1016/0960-894X(96)00299-5 | ||
| CHEMBL48128 | 190691 | 0 | None | - | 0 | Rat | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 470 | 8 | 2 | 4 | 4.8 | O=C(O)CCn1cc(Cc2ccc(F)cc2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 | 10.1016/0960-894X(96)00299-5 | ||
| 44294109 | 194495 | 0 | None | - | 0 | Human | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 387 | 10 | 4 | 4 | 3.3 | O=C(O)CCC/C=C\C[C@H]1C2CCC(O2)[C@H]1CNNC(=O)Nc1ccccc1 | 10.1021/jm00168a032 | ||
| CHEMBL49535 | 194495 | 0 | None | - | 0 | Human | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 387 | 10 | 4 | 4 | 3.3 | O=C(O)CCC/C=C\C[C@H]1C2CCC(O2)[C@H]1CNNC(=O)Nc1ccccc1 | 10.1021/jm00168a032 | ||
| 44374902 | 61583 | 0 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 579 | 11 | 2 | 6 | 3.5 | O=C(O)CCO/N=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL161253 | 61583 | 0 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 579 | 11 | 2 | 6 | 3.5 | O=C(O)CCO/N=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 9830229 | 62981 | 0 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 604 | 11 | 2 | 4 | 5.6 | CC(C)(CNS(=O)(=O)c1ccc(I)cc1)c1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL162641 | 62981 | 0 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 604 | 11 | 2 | 4 | 5.6 | CC(C)(CNS(=O)(=O)c1ccc(I)cc1)c1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 18926545 | 178426 | 0 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 452 | 8 | 2 | 4 | 4.6 | O=C(O)CCn1cc(Cc2ccc(F)cc2)c2cc(NS(=O)(=O)c3ccccc3)ccc21 | 10.1016/0960-894X(96)00299-5 | ||
| CHEMBL44660 | 178426 | 0 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 452 | 8 | 2 | 4 | 4.6 | O=C(O)CCn1cc(Cc2ccc(F)cc2)c2cc(NS(=O)(=O)c3ccccc3)ccc21 | 10.1016/0960-894X(96)00299-5 | ||
| 10323516 | 115338 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 495 | 10 | 2 | 5 | 4.1 | Cc1c(Cc2cccnc2)c2cc(CCC(=O)O)ccc2n1CCNS(=O)(=O)c1ccc(F)cc1 | 10.1016/0960-894X(95)00529-4 | ||
| CHEMBL320235 | 115338 | 1 | None | - | 0 | Rat | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 495 | 10 | 2 | 5 | 4.1 | Cc1c(Cc2cccnc2)c2cc(CCC(=O)O)ccc2n1CCNS(=O)(=O)c1ccc(F)cc1 | 10.1016/0960-894X(95)00529-4 | ||
| 44344654 | 17293 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 449 | 8 | 2 | 4 | 4.3 | O=C(O)CC/C=C\C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1c1ccccc1O | 10.1016/0960-894X(96)00021-2 | ||
| CHEMBL116852 | 17293 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 449 | 8 | 2 | 4 | 4.3 | O=C(O)CC/C=C\C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)C[C@@H]1c1ccccc1O | 10.1016/0960-894X(96)00021-2 | ||
| 15684002 | 126640 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9 | Functional | ChEMBL | 576 | 11 | 2 | 4 | 4.9 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL348790 | 126640 | 0 | None | - | 0 | Rat | 9.0 | pKd | = | 9 | Functional | ChEMBL | 576 | 11 | 2 | 4 | 4.9 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 15024087 | 126988 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 506 | 12 | 1 | 5 | 6.0 | CCc1ccncc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL352040 | 126988 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 506 | 12 | 1 | 5 | 6.0 | CCc1ccncc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 131717 | 210168 | 6 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 452 | 14 | 2 | 4 | 4.7 | O=C(O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 | 10.1016/S0960-894X(01)80104-9 | ||
| CHEMBL65414 | 210168 | 6 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 452 | 14 | 2 | 4 | 4.7 | O=C(O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 | 10.1016/S0960-894X(01)80104-9 | ||
| 10321666 | 187984 | 0 | None | - | 0 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 453 | 8 | 2 | 5 | 4.0 | O=C(O)CCn1cc(Cc2cccnc2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 | 10.1016/0960-894X(96)00299-5 | ||
| CHEMBL47612 | 187984 | 0 | None | - | 0 | Rat | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 453 | 8 | 2 | 5 | 4.0 | O=C(O)CCn1cc(Cc2cccnc2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 | 10.1016/0960-894X(96)00299-5 | ||
| 44344840 | 17014 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 465 | 8 | 2 | 4 | 4.8 | O=C(O)CC/C=C\C[C@@H]1CN(S(=O)(=O)c2cccc3ccccc23)C[C@@H]1c1ccccc1O | 10.1016/0960-894X(96)00021-2 | ||
| CHEMBL116088 | 17014 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 465 | 8 | 2 | 4 | 4.8 | O=C(O)CC/C=C\C[C@@H]1CN(S(=O)(=O)c2cccc3ccccc23)C[C@@H]1c1ccccc1O | 10.1016/0960-894X(96)00021-2 | ||
| 10005561 | 174907 | 1 | None | - | 0 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 484 | 10 | 2 | 6 | 3.3 | Cc1c(Cn2ccnc2)c2cc(CCC(=O)O)ccc2n1CCNS(=O)(=O)c1ccc(F)cc1 | 10.1016/0960-894X(95)00529-4 | ||
| CHEMBL432958 | 174907 | 1 | None | - | 0 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 484 | 10 | 2 | 6 | 3.3 | Cc1c(Cn2ccnc2)c2cc(CCC(=O)O)ccc2n1CCNS(=O)(=O)c1ccc(F)cc1 | 10.1016/0960-894X(95)00529-4 | ||
| 44374886 | 59873 | 0 | None | - | 0 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 565 | 10 | 2 | 6 | 3.1 | O=C(O)CO/N=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL159775 | 59873 | 0 | None | - | 0 | Rat | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 565 | 10 | 2 | 6 | 3.1 | O=C(O)CO/N=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 44374517 | 61417 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3ccccc3CO)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL161108 | 61417 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3ccccc3CO)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 10546960 | 210134 | 0 | None | - | 2 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 367 | 8 | 2 | 3 | 2.9 | O=C(O)CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1016/s0960-894x(98)00242-x | ||
| CHEMBL65121 | 210134 | 0 | None | - | 2 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 367 | 8 | 2 | 3 | 2.9 | O=C(O)CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1016/s0960-894x(98)00242-x | ||
| 44374837 | 60104 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 607 | 11 | 2 | 6 | 4.2 | CC(C)(CNS(=O)(=O)c1ccc(I)cc1)c1cccc(/C(=N\OCCC(=O)O)c2cccnc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL159979 | 60104 | 0 | None | - | 0 | Rat | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 607 | 11 | 2 | 6 | 4.2 | CC(C)(CNS(=O)(=O)c1ccc(I)cc1)c1cccc(/C(=N\OCCC(=O)O)c2cccnc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 44374461 | 61579 | 0 | None | - | 0 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 521 | 13 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccccc3CCO)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL161252 | 61579 | 0 | None | - | 0 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 521 | 13 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccccc3CCO)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44293931 | 108713 | 0 | None | - | 1 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 384 | 10 | 2 | 3 | 4.7 | C[C@@H](c1ccccc1)[C@H](O)/C=C/C1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00168a032 | ||
| CHEMBL301098 | 108713 | 0 | None | - | 1 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 384 | 10 | 2 | 3 | 4.7 | C[C@@H](c1ccccc1)[C@H](O)/C=C/C1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00168a032 | ||
| 44293931 | 108713 | 0 | None | - | 1 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 384 | 10 | 2 | 3 | 4.7 | C[C@@H](c1ccccc1)[C@H](O)/C=C/C1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00168a032 | ||
| CHEMBL301098 | 108713 | 0 | None | - | 1 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 384 | 10 | 2 | 3 | 4.7 | C[C@@H](c1ccccc1)[C@H](O)/C=C/C1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00168a032 | ||
| 44374917 | 61710 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 590 | 12 | 2 | 4 | 5.3 | O=C(O)CCCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL161422 | 61710 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 590 | 12 | 2 | 4 | 5.3 | O=C(O)CCCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 15024089 | 58666 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 534 | 14 | 1 | 5 | 6.8 | CCCCc1ccncc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL158576 | 58666 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 534 | 14 | 1 | 5 | 6.8 | CCCCc1ccncc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 15024087 | 126988 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 506 | 12 | 1 | 5 | 6.0 | CCc1ccncc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL352040 | 126988 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8 | Functional | ChEMBL | 506 | 12 | 1 | 5 | 6.0 | CCc1ccncc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 13560651 | 61714 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 5.7 | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL161427 | 61714 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 5.7 | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374532 | 126848 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 570 | 13 | 2 | 6 | 5.5 | CS(=O)(=O)Nc1ccccc1-c1ccc(COC2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL350642 | 126848 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 570 | 13 | 2 | 6 | 5.5 | CS(=O)(=O)Nc1ccccc1-c1ccc(COC2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| 15024095 | 63000 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 478 | 11 | 1 | 5 | 5.5 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2ccncc2)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL162691 | 63000 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 478 | 11 | 1 | 5 | 5.5 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2ccncc2)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 44305522 | 209750 | 0 | None | - | 1 | Human | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 457 | 11 | 1 | 4 | 6.2 | O=C(O)CC/C=C\CC[C@@H]1[C@@H](c2cccnc2)OC[C@@H]1OCc1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(01)80104-9 | ||
| CHEMBL63040 | 209750 | 0 | None | - | 1 | Human | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 457 | 11 | 1 | 4 | 6.2 | O=C(O)CC/C=C\CC[C@@H]1[C@@H](c2cccnc2)OC[C@@H]1OCc1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(01)80104-9 | ||
| 19104271 | 179454 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | 353 | 7 | 2 | 3 | 3.5 | O=C(O)CCCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 | 10.1016/0960-894X(96)00299-5 | ||
| CHEMBL44998 | 179454 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | 353 | 7 | 2 | 3 | 3.5 | O=C(O)CCCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 | 10.1016/0960-894X(96)00299-5 | ||
| 44374902 | 61583 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7 | Functional | ChEMBL | 579 | 11 | 2 | 6 | 3.5 | O=C(O)CCO/N=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL161253 | 61583 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7 | Functional | ChEMBL | 579 | 11 | 2 | 6 | 3.5 | O=C(O)CCO/N=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 44374454 | 126686 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 5.7 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL349223 | 126686 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 5.7 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 15684009 | 63342 | 0 | None | - | 0 | Human | 6.0 | pKd | = | 6 | Functional | ChEMBL | 495 | 12 | 2 | 6 | 4.2 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL164109 | 63342 | 0 | None | - | 0 | Human | 6.0 | pKd | = | 6 | Functional | ChEMBL | 495 | 12 | 2 | 6 | 4.2 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 44375168 | 171648 | 0 | None | - | 0 | Human | 6.0 | pKd | = | 6 | Functional | ChEMBL | 464 | 12 | 2 | 4 | 4.7 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCCNS(=O)(=O)c2ccccc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL422017 | 171648 | 0 | None | - | 0 | Human | 6.0 | pKd | = | 6 | Functional | ChEMBL | 464 | 12 | 2 | 4 | 4.7 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCCNS(=O)(=O)c2ccccc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 44374454 | 126686 | 0 | None | - | 0 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 5.7 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL349223 | 126686 | 0 | None | - | 0 | Rat | 6.0 | pKd | = | 6 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 5.7 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44387031 | 67266 | 0 | None | - | 0 | Human | 6.0 | pKd | = | 6 | Functional | ChEMBL | 496 | 8 | 1 | 4 | 6.3 | O=C(O)CC1CCCc2c1n(Cc1cccc(OCCCC#Cc3cccnc3)c1)c1ccc(F)cc21 | 10.1016/S0960-894X(00)80601-0 | ||
| CHEMBL175538 | 67266 | 0 | None | - | 0 | Human | 6.0 | pKd | = | 6 | Functional | ChEMBL | 496 | 8 | 1 | 4 | 6.3 | O=C(O)CC1CCCc2c1n(Cc1cccc(OCCCC#Cc3cccnc3)c1)c1ccc(F)cc21 | 10.1016/S0960-894X(00)80601-0 | ||
| 44326663 | 115375 | 0 | None | - | 0 | Human | 5.0 | pKd | = | 5 | Functional | ChEMBL | 851 | 21 | 3 | 10 | 9.3 | N#Cc1ccc([C@H]2OC[C@@H](C/C=C\CCC(=O)NCCCCCCNC(=O)CC/C=C\C[C@@H]3CO[C@H](c4ccc(C#N)cc4)O[C@@H]3c3ccccc3O)[C@@H](c3cccnc3)O2)cc1 | 10.1016/0960-894X(96)00004-2 | ||
| CHEMBL320461 | 115375 | 0 | None | - | 0 | Human | 5.0 | pKd | = | 5 | Functional | ChEMBL | 851 | 21 | 3 | 10 | 9.3 | N#Cc1ccc([C@H]2OC[C@@H](C/C=C\CCC(=O)NCCCCCCNC(=O)CC/C=C\C[C@@H]3CO[C@H](c4ccc(C#N)cc4)O[C@@H]3c3ccccc3O)[C@@H](c3cccnc3)O2)cc1 | 10.1016/0960-894X(96)00004-2 | ||
| 10010816 | 115410 | 0 | None | - | 0 | Human | 5.0 | pKd | = | 5 | Functional | ChEMBL | 854 | 16 | 1 | 11 | 10.8 | N#Cc1ccc([C@H]2OC[C@@H](C/C=C\CCC(=O)Oc3ccccc3OC(=O)CC/C=C\C[C@@H]3CO[C@H](c4ccccc4Cl)O[C@@H]3c3ccccc3O)[C@@H](c3cccnc3)O2)cc1 | 10.1016/0960-894X(96)00004-2 | ||
| CHEMBL320682 | 115410 | 0 | None | - | 0 | Human | 5.0 | pKd | = | 5 | Functional | ChEMBL | 854 | 16 | 1 | 11 | 10.8 | N#Cc1ccc([C@H]2OC[C@@H](C/C=C\CCC(=O)Oc3ccccc3OC(=O)CC/C=C\C[C@@H]3CO[C@H](c4ccccc4Cl)O[C@@H]3c3ccccc3O)[C@@H](c3cccnc3)O2)cc1 | 10.1016/0960-894X(96)00004-2 | ||
| 44326662 | 118321 | 0 | None | - | 0 | Human | 5.0 | pKd | = | 5 | Functional | ChEMBL | 853 | 21 | 1 | 12 | 10.1 | N#Cc1ccc([C@H]2OC[C@@H](C/C=C\CCC(=O)OCCCCCCOC(=O)CC/C=C\C[C@@H]3CO[C@H](c4ccc(C#N)cc4)O[C@@H]3c3ccccc3O)[C@@H](c3cccnc3)O2)cc1 | 10.1016/0960-894X(96)00004-2 | ||
| CHEMBL327992 | 118321 | 0 | None | - | 0 | Human | 5.0 | pKd | = | 5 | Functional | ChEMBL | 853 | 21 | 1 | 12 | 10.1 | N#Cc1ccc([C@H]2OC[C@@H](C/C=C\CCC(=O)OCCCCCCOC(=O)CC/C=C\C[C@@H]3CO[C@H](c4ccc(C#N)cc4)O[C@@H]3c3ccccc3O)[C@@H](c3cccnc3)O2)cc1 | 10.1016/0960-894X(96)00004-2 | ||
| 44326473 | 214265 | 0 | None | - | 0 | Human | 5.0 | pKd | = | 5 | Functional | ChEMBL | 795 | 17 | 3 | 10 | 7.7 | N#Cc1ccc([C@H]2OC[C@@H](C/C=C\CCC(=O)NCCNC(=O)CC/C=C\C[C@@H]3CO[C@H](c4ccc(C#N)cc4)O[C@@H]3c3ccccc3O)[C@@H](c3cccnc3)O2)cc1 | 10.1016/0960-894X(96)00004-2 | ||
| CHEMBL94375 | 214265 | 0 | None | - | 0 | Human | 5.0 | pKd | = | 5 | Functional | ChEMBL | 795 | 17 | 3 | 10 | 7.7 | N#Cc1ccc([C@H]2OC[C@@H](C/C=C\CCC(=O)NCCNC(=O)CC/C=C\C[C@@H]3CO[C@H](c4ccc(C#N)cc4)O[C@@H]3c3ccccc3O)[C@@H](c3cccnc3)O2)cc1 | 10.1016/0960-894X(96)00004-2 | ||
| 10259965 | 214266 | 0 | None | - | 0 | Human | 5.0 | pKd | = | 5 | Functional | ChEMBL | 845 | 16 | 1 | 12 | 10.0 | N#Cc1ccc([C@H]2OC[C@@H](C/C=C\CCC(=O)Oc3ccccc3OC(=O)CC/C=C\C[C@@H]3CO[C@H](c4ccc(C#N)cc4)O[C@@H]3c3ccccc3O)[C@@H](c3cccnc3)O2)cc1 | 10.1016/0960-894X(96)00004-2 | ||
| CHEMBL94381 | 214266 | 0 | None | - | 0 | Human | 5.0 | pKd | = | 5 | Functional | ChEMBL | 845 | 16 | 1 | 12 | 10.0 | N#Cc1ccc([C@H]2OC[C@@H](C/C=C\CCC(=O)Oc3ccccc3OC(=O)CC/C=C\C[C@@H]3CO[C@H](c4ccc(C#N)cc4)O[C@@H]3c3ccccc3O)[C@@H](c3cccnc3)O2)cc1 | 10.1016/0960-894X(96)00004-2 | ||
| 44326472 | 214318 | 0 | None | - | 0 | Human | 5.0 | pKd | = | 5 | Functional | ChEMBL | 845 | 16 | 1 | 12 | 10.0 | N#Cc1ccc([C@H]2OC[C@@H](C/C=C\CCC(=O)Oc3ccc(OC(=O)CC/C=C\C[C@@H]4CO[C@H](c5ccc(C#N)cc5)O[C@@H]4c4ccccc4O)cc3)[C@@H](c3cccnc3)O2)cc1 | 10.1016/0960-894X(96)00004-2 | ||
| CHEMBL94692 | 214318 | 0 | None | - | 0 | Human | 5.0 | pKd | = | 5 | Functional | ChEMBL | 845 | 16 | 1 | 12 | 10.0 | N#Cc1ccc([C@H]2OC[C@@H](C/C=C\CCC(=O)Oc3ccc(OC(=O)CC/C=C\C[C@@H]4CO[C@H](c5ccc(C#N)cc5)O[C@@H]4c4ccccc4O)cc3)[C@@H](c3cccnc3)O2)cc1 | 10.1016/0960-894X(96)00004-2 | ||
| 10601707 | 50883 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 507 | 11 | 2 | 5 | 6.1 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| CHEMBL151519 | 50883 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 507 | 11 | 2 | 5 | 6.1 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| 10768214 | 49636 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 517 | 13 | 2 | 6 | 5.9 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCOC3CCCCC3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| CHEMBL150289 | 49636 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 517 | 13 | 2 | 6 | 5.9 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCOC3CCCCC3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| 10840154 | 50558 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 539 | 14 | 2 | 6 | 6.2 | COc1ccc(CCCNC(=O)c2coc(-c3ccc(/C(=C\CCCCC(=O)O)c4cccnc4)cc3)n2)cc1 | 10.1021/jm980173n | ||
| CHEMBL151091 | 50558 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 539 | 14 | 2 | 6 | 6.2 | COc1ccc(CCCNC(=O)c2coc(-c3ccc(/C(=C\CCCCC(=O)O)c4cccnc4)cc3)n2)cc1 | 10.1021/jm980173n | ||
| 44344874 | 170138 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 449 | 8 | 2 | 4 | 4.3 | O=C(O)CC/C=C\C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)C[C@H]1c1ccccc1O | 10.1016/0960-894X(96)00021-2 | ||
| CHEMBL419224 | 170138 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 449 | 8 | 2 | 4 | 4.3 | O=C(O)CC/C=C\C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)C[C@H]1c1ccccc1O | 10.1016/0960-894X(96)00021-2 | ||
| 44374860 | 63263 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 593 | 12 | 2 | 6 | 3.8 | O=C(O)CCCO/N=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL163276 | 63263 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 593 | 12 | 2 | 6 | 3.8 | O=C(O)CCCO/N=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 44374518 | 59366 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3cccc(CO)c3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL159275 | 59366 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3cccc(CO)c3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 15024091 | 59886 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 508 | 12 | 2 | 6 | 5.0 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2cnccc2CO)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL159787 | 59886 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 508 | 12 | 2 | 6 | 5.0 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2cnccc2CO)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 44374517 | 61417 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3ccccc3CO)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL161108 | 61417 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3ccccc3CO)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374723 | 61952 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 584 | 14 | 2 | 6 | 5.1 | CNS(=O)(=O)Cc1ccccc1-c1ccc(COC2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL161746 | 61952 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 584 | 14 | 2 | 6 | 5.1 | CNS(=O)(=O)Cc1ccccc1-c1ccc(COC2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374699 | 59365 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 477 | 11 | 1 | 4 | 6.1 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL159272 | 59365 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 477 | 11 | 1 | 4 | 6.1 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374525 | 126915 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 570 | 13 | 2 | 6 | 5.5 | CS(=O)(=O)Nc1cccc(-c2ccc(COC3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)c1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL351252 | 126915 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 570 | 13 | 2 | 6 | 5.5 | CS(=O)(=O)Nc1cccc(-c2ccc(COC3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)c1 | 10.1016/S0960-894X(01)81049-0 | ||
| 15024085 | 175045 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 478 | 11 | 1 | 5 | 5.5 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2cccnc2)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL433884 | 175045 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 478 | 11 | 1 | 5 | 5.5 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2cccnc2)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 10626384 | 127969 | 1 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 545 | 14 | 2 | 6 | 6.5 | COC1CCC(CCCNC(=O)c2coc(-c3ccc(/C(=C\CCCCC(=O)O)c4cccnc4)cc3)n2)CC1 | 10.1021/jm980173n | ||
| CHEMBL357723 | 127969 | 1 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 545 | 14 | 2 | 6 | 6.5 | COC1CCC(CCCNC(=O)c2coc(-c3ccc(/C(=C\CCCCC(=O)O)c4cccnc4)cc3)n2)CC1 | 10.1021/jm980173n | ||
| 44375168 | 171648 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 464 | 12 | 2 | 4 | 4.7 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCCNS(=O)(=O)c2ccccc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL422017 | 171648 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 464 | 12 | 2 | 4 | 4.7 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCCNS(=O)(=O)c2ccccc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 44374600 | 60216 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 548 | 13 | 2 | 5 | 5.7 | CC(=O)NCc1ccccc1-c1ccc(COC2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL160091 | 60216 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 548 | 13 | 2 | 5 | 5.7 | CC(=O)NCc1ccccc1-c1ccc(COC2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| 5362391 | 105872 | 25 | None | - | 1 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 366 | 8 | 1 | 4 | 4.1 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL280728 | 105872 | 25 | None | - | 1 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 366 | 8 | 1 | 4 | 4.1 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 5362391 | 105872 | 25 | None | - | 1 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 366 | 8 | 1 | 4 | 4.1 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL280728 | 105872 | 25 | None | - | 1 | Rat | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 366 | 8 | 1 | 4 | 4.1 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 | 10.1016/S0960-894X(01)81050-7 | ||
| 10091054 | 214685 | 0 | None | - | 0 | Human | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 378 | 7 | 1 | 5 | 4.2 | N#Cc1ccc([C@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)cc1 | 10.1016/0960-894X(96)00004-2 | ||
| CHEMBL96727 | 214685 | 0 | None | - | 0 | Human | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 378 | 7 | 1 | 5 | 4.2 | N#Cc1ccc([C@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)cc1 | 10.1016/0960-894X(96)00004-2 | ||
| 15462462 | 205041 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 481 | 11 | 2 | 5 | 5.7 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCc3ccccc3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| CHEMBL57576 | 205041 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 481 | 11 | 2 | 5 | 5.7 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCc3ccccc3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| 44333075 | 11365 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 484 | 10 | 2 | 6 | 3.3 | Cc1c(Cn2ccnc2)n(CCNS(=O)(=O)c2ccc(F)cc2)c2ccc(CCC(=O)O)cc12 | 10.1016/0960-894X(95)00529-4 | ||
| CHEMBL102692 | 11365 | 0 | None | - | 0 | Rat | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 484 | 10 | 2 | 6 | 3.3 | Cc1c(Cn2ccnc2)n(CCNS(=O)(=O)c2ccc(F)cc2)c2ccc(CCC(=O)O)cc12 | 10.1016/0960-894X(95)00529-4 | ||
| 10790792 | 128071 | 0 | None | - | 0 | Human | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 477 | 14 | 2 | 6 | 5.0 | CCOCCCNC(=O)c1coc(-c2ccc(/C(=C\CCCCC(=O)O)c3cccnc3)cc2)n1 | 10.1021/jm980173n | ||
| CHEMBL358012 | 128071 | 0 | None | - | 0 | Human | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 477 | 14 | 2 | 6 | 5.0 | CCOCCCNC(=O)c1coc(-c2ccc(/C(=C\CCCCC(=O)O)c3cccnc3)cc2)n1 | 10.1021/jm980173n | ||
| 6439002 | 126296 | 5 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 318 | 7 | 1 | 3 | 4.3 | CC1(C)OC[C@@H](C/C=C\CCCC(=O)O)[C@@H](c2ccccc2)O1 | 10.1021/jm00384a012 | ||
| CHEMBL345614 | 126296 | 5 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 318 | 7 | 1 | 3 | 4.3 | CC1(C)OC[C@@H](C/C=C\CCCC(=O)O)[C@@H](c2ccccc2)O1 | 10.1021/jm00384a012 | ||
| 44374895 | 59500 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 450 | 11 | 2 | 4 | 4.3 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccccc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL159447 | 59500 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 450 | 11 | 2 | 4 | 4.3 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccccc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 44374564 | 59663 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 520 | 12 | 2 | 5 | 5.2 | NC(=O)c1ccccc1-c1ccc(COC2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL159581 | 59663 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 520 | 12 | 2 | 5 | 5.2 | NC(=O)c1ccccc1-c1ccc(COC2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374480 | 61684 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 584 | 14 | 2 | 6 | 5.1 | CNS(=O)(=O)Cc1ccc(-c2ccc(COC3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL161360 | 61684 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 584 | 14 | 2 | 6 | 5.1 | CNS(=O)(=O)Cc1ccc(-c2ccc(COC3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| 15024096 | 62398 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 508 | 12 | 2 | 6 | 5.0 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2ccncc2CO)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL162133 | 62398 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 508 | 12 | 2 | 6 | 5.0 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2ccncc2CO)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 44374440 | 62922 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 5.7 | O=C(O)CC/C=C\CO[C@@H]1C(OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL162589 | 62922 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 5.7 | O=C(O)CC/C=C\CO[C@@H]1C(OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 15024098 | 126806 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 506 | 12 | 1 | 5 | 6.0 | CCc1cnccc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL350292 | 126806 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 506 | 12 | 1 | 5 | 6.0 | CCc1cnccc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 44374564 | 59663 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 520 | 12 | 2 | 5 | 5.2 | NC(=O)c1ccccc1-c1ccc(COC2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL159581 | 59663 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 520 | 12 | 2 | 5 | 5.2 | NC(=O)c1ccccc1-c1ccc(COC2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374693 | 126805 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 493 | 11 | 2 | 5 | 5.8 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccccc3O)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL350286 | 126805 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 493 | 11 | 2 | 5 | 5.8 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccccc3O)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374439 | 126837 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 5.7 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL350579 | 126837 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 5.7 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44301194 | 107339 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 461 | 13 | 2 | 5 | 5.7 | CCCCCNC(=O)c1coc(-c2ccc(/C(=C\CCCCC(=O)O)c3cccnc3)cc2)n1 | 10.1021/jm980173n | ||
| CHEMBL291539 | 107339 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 461 | 13 | 2 | 5 | 5.7 | CCCCCNC(=O)c1coc(-c2ccc(/C(=C\CCCCC(=O)O)c3cccnc3)cc2)n1 | 10.1021/jm980173n | ||
| 11800240 | 51184 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 525 | 14 | 2 | 6 | 5.8 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCOCc3ccccc3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| CHEMBL151860 | 51184 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 525 | 14 | 2 | 6 | 5.8 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCOCc3ccccc3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| 44374482 | 126658 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 534 | 13 | 2 | 5 | 5.1 | NC(=O)Cc1ccccc1-c1ccc(COC2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL348980 | 126658 | 0 | None | - | 0 | Rat | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 534 | 13 | 2 | 5 | 5.1 | NC(=O)Cc1ccccc1-c1ccc(COC2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44385671 | 173119 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 496 | 8 | 1 | 4 | 6.3 | O=C(O)CC1CCCc2c1n(Cc1ccc(OCCCC#Cc3cccnc3)cc1)c1ccc(F)cc21 | 10.1016/S0960-894X(00)80601-0 | ||
| CHEMBL427300 | 173119 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 496 | 8 | 1 | 4 | 6.3 | O=C(O)CC1CCCc2c1n(Cc1ccc(OCCCC#Cc3cccnc3)cc1)c1ccc(F)cc21 | 10.1016/S0960-894X(00)80601-0 | ||
| 44344856 | 20972 | 0 | None | - | 0 | Human | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 366 | 8 | 2 | 4 | 3.8 | O=C(O)CC/C=C\C[C@@H]1CN(Cc2cccnc2)C[C@@H]1c1ccccc1O | 10.1016/0960-894X(96)00021-2 | ||
| CHEMBL119887 | 20972 | 0 | None | - | 0 | Human | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 366 | 8 | 2 | 4 | 3.8 | O=C(O)CC/C=C\C[C@@H]1CN(Cc2cccnc2)C[C@@H]1c1ccccc1O | 10.1016/0960-894X(96)00021-2 | ||
| 44374860 | 63263 | 0 | None | - | 0 | Human | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 593 | 12 | 2 | 6 | 3.8 | O=C(O)CCCO/N=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL163276 | 63263 | 0 | None | - | 0 | Human | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 593 | 12 | 2 | 6 | 3.8 | O=C(O)CCCO/N=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 5284442 | 103950 | 30 | None | - | 0 | Human | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 281 | 7 | 1 | 2 | 4.2 | O=C(O)CCCC/C=C(\c1ccccc1)c1cccnc1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL26820 | 103950 | 30 | None | - | 0 | Human | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 281 | 7 | 1 | 2 | 4.2 | O=C(O)CCCC/C=C(\c1ccccc1)c1cccnc1 | 10.1016/S0960-894X(01)81051-9 | ||
| 5284442 | 103950 | 30 | None | - | 0 | Human | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 281 | 7 | 1 | 2 | 4.2 | O=C(O)CCCC/C=C(\c1ccccc1)c1cccnc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL26820 | 103950 | 30 | None | - | 0 | Human | 4.8 | pKd | = | 4.8 | Functional | ChEMBL | 281 | 7 | 1 | 2 | 4.2 | O=C(O)CCCC/C=C(\c1ccccc1)c1cccnc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 44366545 | 175140 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 565 | 11 | 2 | 7 | 5.6 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| CHEMBL434449 | 175140 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 565 | 11 | 2 | 7 | 5.6 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| 10554249 | 126478 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 531 | 14 | 2 | 6 | 6.3 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCCOC3CCCCC3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| CHEMBL347343 | 126478 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 531 | 14 | 2 | 6 | 6.3 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCCOC3CCCCC3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| 44344859 | 117403 | 0 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 387 | 11 | 2 | 3 | 4.7 | CCCCCCC(=O)N1C[C@@H](C/C=C\CCC(=O)O)[C@@H](c2ccccc2O)C1 | 10.1016/0960-894X(96)00021-2 | ||
| CHEMBL325703 | 117403 | 0 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 387 | 11 | 2 | 3 | 4.7 | CCCCCCC(=O)N1C[C@@H](C/C=C\CCC(=O)O)[C@@H](c2ccccc2O)C1 | 10.1016/0960-894X(96)00021-2 | ||
| 15024097 | 59963 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 492 | 11 | 1 | 5 | 5.8 | Cc1cnccc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL159860 | 59963 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 492 | 11 | 1 | 5 | 5.8 | Cc1cnccc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 44374514 | 60043 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 520 | 12 | 2 | 5 | 5.2 | NC(=O)c1ccc(-c2ccc(COC3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL159927 | 60043 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 520 | 12 | 2 | 5 | 5.2 | NC(=O)c1ccc(-c2ccc(COC3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374473 | 61563 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccc(CO)cc3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL161240 | 61563 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccc(CO)cc3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374693 | 126805 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 493 | 11 | 2 | 5 | 5.8 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccccc3O)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL350286 | 126805 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 493 | 11 | 2 | 5 | 5.8 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccccc3O)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374724 | 126993 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 548 | 13 | 2 | 5 | 5.7 | CC(=O)NCc1ccc(-c2ccc(COC3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL352076 | 126993 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 548 | 13 | 2 | 5 | 5.7 | CC(=O)NCc1ccc(-c2ccc(COC3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374481 | 171571 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 534 | 13 | 2 | 5 | 5.1 | NC(=O)Cc1ccc(-c2ccc(COC3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL421831 | 171571 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 534 | 13 | 2 | 5 | 5.1 | NC(=O)Cc1ccc(-c2ccc(COC3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44344858 | 17548 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 345 | 7 | 2 | 3 | 3.4 | CC(C)C(=O)N1C[C@@H](C/C=C\CCC(=O)O)[C@@H](c2ccccc2O)C1 | 10.1016/0960-894X(96)00021-2 | ||
| CHEMBL117163 | 17548 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 345 | 7 | 2 | 3 | 3.4 | CC(C)C(=O)N1C[C@@H](C/C=C\CCC(=O)O)[C@@H](c2ccccc2O)C1 | 10.1016/0960-894X(96)00021-2 | ||
| 44272000 | 105579 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 543 | 15 | 1 | 8 | 6.4 | CCCCCCn1cncc1[C@H]1O[C@@H](C(C)(C)Oc2ccc(C)cc2[N+](=O)[O-])OC[C@H]1C/C=C\CCC(=O)O | 10.1016/S0960-894X(00)80210-3 | ||
| CHEMBL278458 | 105579 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 543 | 15 | 1 | 8 | 6.4 | CCCCCCn1cncc1[C@H]1O[C@@H](C(C)(C)Oc2ccc(C)cc2[N+](=O)[O-])OC[C@H]1C/C=C\CCC(=O)O | 10.1016/S0960-894X(00)80210-3 | ||
| 44374850 | 59550 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 607 | 13 | 2 | 6 | 4.2 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL159481 | 59550 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 607 | 13 | 2 | 6 | 4.2 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 15684009 | 63342 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 495 | 12 | 2 | 6 | 4.2 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL164109 | 63342 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 495 | 12 | 2 | 6 | 4.2 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 44374886 | 59873 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 565 | 10 | 2 | 6 | 3.1 | O=C(O)CO/N=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL159775 | 59873 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 565 | 10 | 2 | 6 | 3.1 | O=C(O)CO/N=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 9830229 | 62981 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 604 | 11 | 2 | 4 | 5.6 | CC(C)(CNS(=O)(=O)c1ccc(I)cc1)c1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL162641 | 62981 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 604 | 11 | 2 | 4 | 5.6 | CC(C)(CNS(=O)(=O)c1ccc(I)cc1)c1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 44385499 | 66443 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 510 | 9 | 1 | 4 | 6.7 | O=C(O)CC1CCCc2c1n(Cc1ccc(OCCCCC#Cc3cccnc3)cc1)c1ccc(F)cc21 | 10.1016/S0960-894X(00)80601-0 | ||
| CHEMBL172198 | 66443 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 510 | 9 | 1 | 4 | 6.7 | O=C(O)CC1CCCc2c1n(Cc1ccc(OCCCCC#Cc3cccnc3)cc1)c1ccc(F)cc21 | 10.1016/S0960-894X(00)80601-0 | ||
| 44374850 | 59550 | 0 | None | - | 0 | Human | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 607 | 13 | 2 | 6 | 4.2 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL159481 | 59550 | 0 | None | - | 0 | Human | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 607 | 13 | 2 | 6 | 4.2 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 44333081 | 179662 | 0 | None | - | 0 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 418 | 8 | 2 | 4 | 3.4 | Cc1c(C)n(CCNS(=O)(=O)c2ccc(F)cc2)c2ccc(CCC(=O)O)cc12 | 10.1016/0960-894X(95)00529-4 | ||
| CHEMBL451553 | 179662 | 0 | None | - | 0 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 418 | 8 | 2 | 4 | 3.4 | Cc1c(C)n(CCNS(=O)(=O)c2ccc(F)cc2)c2ccc(CCC(=O)O)cc12 | 10.1016/0960-894X(95)00529-4 | ||
| 44374724 | 126993 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 548 | 13 | 2 | 5 | 5.7 | CC(=O)NCc1ccc(-c2ccc(COC3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL352076 | 126993 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 548 | 13 | 2 | 5 | 5.7 | CC(=O)NCc1ccc(-c2ccc(COC3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| 15024088 | 59593 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 520 | 13 | 1 | 5 | 6.4 | CCCc1ccncc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL159517 | 59593 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 520 | 13 | 1 | 5 | 6.4 | CCCc1ccncc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 15024086 | 126724 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 492 | 11 | 1 | 5 | 5.8 | Cc1ccncc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL349625 | 126724 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 492 | 11 | 1 | 5 | 5.8 | Cc1ccncc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 18926528 | 187975 | 0 | None | - | 0 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 378 | 6 | 2 | 4 | 3.6 | O=C(O)CCn1ccc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 | 10.1016/0960-894X(96)00299-5 | ||
| CHEMBL47611 | 187975 | 0 | None | - | 0 | Rat | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 378 | 6 | 2 | 4 | 3.6 | O=C(O)CCn1ccc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21 | 10.1016/0960-894X(96)00299-5 | ||
| 44305522 | 209750 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 457 | 11 | 1 | 4 | 6.2 | O=C(O)CC/C=C\CC[C@@H]1[C@@H](c2cccnc2)OC[C@@H]1OCc1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(01)80104-9 | ||
| CHEMBL63040 | 209750 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 457 | 11 | 1 | 4 | 6.2 | O=C(O)CC/C=C\CC[C@@H]1[C@@H](c2cccnc2)OC[C@@H]1OCc1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(01)80104-9 | ||
| 44374845 | 126956 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 468 | 11 | 2 | 4 | 4.4 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(F)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL351657 | 126956 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 468 | 11 | 2 | 4 | 4.4 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(F)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 15024092 | 59014 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 508 | 12 | 2 | 6 | 5.0 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2cncc(CO)c2)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL158875 | 59014 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 508 | 12 | 2 | 6 | 5.0 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2cncc(CO)c2)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 44374699 | 59365 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 477 | 11 | 1 | 4 | 6.1 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL159272 | 59365 | 0 | None | - | 0 | Rat | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 477 | 11 | 1 | 4 | 6.1 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374600 | 60216 | 0 | None | - | 0 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 548 | 13 | 2 | 5 | 5.7 | CC(=O)NCc1ccccc1-c1ccc(COC2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL160091 | 60216 | 0 | None | - | 0 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 548 | 13 | 2 | 5 | 5.7 | CC(=O)NCc1ccccc1-c1ccc(COC2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44344788 | 120746 | 0 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 365 | 8 | 2 | 3 | 4.4 | O=C(O)CC/C=C\C[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1O | 10.1016/0960-894X(96)00021-2 | ||
| CHEMBL332609 | 120746 | 0 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 365 | 8 | 2 | 3 | 4.4 | O=C(O)CC/C=C\C[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1O | 10.1016/0960-894X(96)00021-2 | ||
| 44386636 | 67307 | 0 | None | - | 0 | Human | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 510 | 9 | 1 | 4 | 6.7 | O=C(O)CC1CCCc2c1n(Cc1cccc(OCCCCC#Cc3cccnc3)c1)c1ccc(F)cc21 | 10.1016/S0960-894X(00)80601-0 | ||
| CHEMBL175801 | 67307 | 0 | None | - | 0 | Human | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 510 | 9 | 1 | 4 | 6.7 | O=C(O)CC1CCCc2c1n(Cc1cccc(OCCCCC#Cc3cccnc3)c1)c1ccc(F)cc21 | 10.1016/S0960-894X(00)80601-0 | ||
| 6439002 | 126296 | 5 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 318 | 7 | 1 | 3 | 4.3 | CC1(C)OC[C@@H](C/C=C\CCCC(=O)O)[C@@H](c2ccccc2)O1 | 10.1021/jm00384a012 | ||
| CHEMBL345614 | 126296 | 5 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 318 | 7 | 1 | 3 | 4.3 | CC1(C)OC[C@@H](C/C=C\CCCC(=O)O)[C@@H](c2ccccc2)O1 | 10.1021/jm00384a012 | ||
| 44366527 | 46409 | 0 | None | - | 0 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 531 | 15 | 3 | 4 | 6.3 | C=C(NC(=O)c1ccc(/C(=C\CCCCC(=O)O)c2cccnc2)cc1)C(=O)NCCCCC1CCCCC1 | 10.1021/jm980173n | ||
| CHEMBL147444 | 46409 | 0 | None | - | 0 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 531 | 15 | 3 | 4 | 6.3 | C=C(NC(=O)c1ccc(/C(=C\CCCCC(=O)O)c2cccnc2)cc1)C(=O)NCCCCC1CCCCC1 | 10.1021/jm980173n | ||
| 15024094 | 61733 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 522 | 13 | 2 | 6 | 5.0 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2cnccc2CCO)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL161532 | 61733 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 522 | 13 | 2 | 6 | 5.0 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2cnccc2CCO)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 15024093 | 62737 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 508 | 12 | 2 | 6 | 5.0 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2cccnc2CO)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL162409 | 62737 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 508 | 12 | 2 | 6 | 5.0 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2cccnc2CO)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 15024090 | 126326 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 534 | 11 | 1 | 5 | 6.8 | CC(C)(C)c1ccncc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL345876 | 126326 | 0 | None | - | 0 | Rat | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 534 | 11 | 1 | 5 | 6.8 | CC(C)(C)c1ccncc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 44374514 | 60043 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 520 | 12 | 2 | 5 | 5.2 | NC(=O)c1ccc(-c2ccc(COC3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL159927 | 60043 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 520 | 12 | 2 | 5 | 5.2 | NC(=O)c1ccc(-c2ccc(COC3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374473 | 61563 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccc(CO)cc3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL161240 | 61563 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccc(CO)cc3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374480 | 61684 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 584 | 14 | 2 | 6 | 5.1 | CNS(=O)(=O)Cc1ccc(-c2ccc(COC3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL161360 | 61684 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 584 | 14 | 2 | 6 | 5.1 | CNS(=O)(=O)Cc1ccc(-c2ccc(COC3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374487 | 126858 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccccc3CO)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL350805 | 126858 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccccc3CO)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 15024091 | 59886 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 508 | 12 | 2 | 6 | 5.0 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2cnccc2CO)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL159787 | 59886 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 508 | 12 | 2 | 6 | 5.0 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2cnccc2CO)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 15024094 | 61733 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 522 | 13 | 2 | 6 | 5.0 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2cnccc2CCO)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL161532 | 61733 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 522 | 13 | 2 | 6 | 5.0 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2cnccc2CCO)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 15024096 | 62398 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 508 | 12 | 2 | 6 | 5.0 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2ccncc2CO)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL162133 | 62398 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 508 | 12 | 2 | 6 | 5.0 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2ccncc2CO)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 15024093 | 62737 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 508 | 12 | 2 | 6 | 5.0 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2cccnc2CO)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL162409 | 62737 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 508 | 12 | 2 | 6 | 5.0 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2cccnc2CO)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 15024090 | 126326 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 534 | 11 | 1 | 5 | 6.8 | CC(C)(C)c1ccncc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL345876 | 126326 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 534 | 11 | 1 | 5 | 6.8 | CC(C)(C)c1ccncc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 6604763 | 108593 | 15 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 402 | 7 | 2 | 4 | 5.3 | O=C(O)CC/C=C\C[C@@H]1CO[C@H](c2ccccc2Cl)O[C@@H]1c1ccccc1O | 10.1016/0960-894X(96)00004-2 | ||
| CHEMBL30024 | 108593 | 15 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 402 | 7 | 2 | 4 | 5.3 | O=C(O)CC/C=C\C[C@@H]1CO[C@H](c2ccccc2Cl)O[C@@H]1c1ccccc1O | 10.1016/0960-894X(96)00004-2 | ||
| 18926578 | 175592 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 362 | 6 | 2 | 4 | 3.1 | O=C(O)CCn1ccc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 | 10.1016/0960-894X(96)00299-5 | ||
| CHEMBL43768 | 175592 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 362 | 6 | 2 | 4 | 3.1 | O=C(O)CCn1ccc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 | 10.1016/0960-894X(96)00299-5 | ||
| 44272014 | 105604 | 0 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 473 | 10 | 1 | 8 | 4.3 | Cc1ccc(OC(C)(C)[C@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c3cncn3C)O2)c([N+](=O)[O-])c1 | 10.1016/S0960-894X(00)80210-3 | ||
| CHEMBL278714 | 105604 | 0 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 473 | 10 | 1 | 8 | 4.3 | Cc1ccc(OC(C)(C)[C@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c3cncn3C)O2)c([N+](=O)[O-])c1 | 10.1016/S0960-894X(00)80210-3 | ||
| 6439492 | 105753 | 14 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 470 | 10 | 1 | 7 | 5.0 | Cc1ccc(OC(C)(C)[C@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)c([N+](=O)[O-])c1 | 10.1016/S0960-894X(00)80210-3 | ||
| CHEMBL279847 | 105753 | 14 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 470 | 10 | 1 | 7 | 5.0 | Cc1ccc(OC(C)(C)[C@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)c([N+](=O)[O-])c1 | 10.1016/S0960-894X(00)80210-3 | ||
| 44374857 | 63050 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 495 | 12 | 2 | 6 | 4.2 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL162879 | 63050 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 495 | 12 | 2 | 6 | 4.2 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 44374532 | 126848 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 570 | 13 | 2 | 6 | 5.5 | CS(=O)(=O)Nc1ccccc1-c1ccc(COC2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL350642 | 126848 | 0 | None | - | 0 | Rat | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 570 | 13 | 2 | 6 | 5.5 | CS(=O)(=O)Nc1ccccc1-c1ccc(COC2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374711 | 126822 | 0 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3ccc(CO)cc3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL350418 | 126822 | 0 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3ccc(CO)cc3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374481 | 171571 | 0 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 534 | 13 | 2 | 5 | 5.1 | NC(=O)Cc1ccc(-c2ccc(COC3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL421831 | 171571 | 0 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 534 | 13 | 2 | 5 | 5.1 | NC(=O)Cc1ccc(-c2ccc(COC3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| 15024089 | 58666 | 0 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 534 | 14 | 1 | 5 | 6.8 | CCCCc1ccncc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL158576 | 58666 | 0 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 534 | 14 | 1 | 5 | 6.8 | CCCCc1ccncc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 44375026 | 126528 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 436 | 10 | 2 | 4 | 3.9 | O=C(O)CC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccccc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL347812 | 126528 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 436 | 10 | 2 | 4 | 3.9 | O=C(O)CC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccccc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 15024088 | 59593 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 520 | 13 | 1 | 5 | 6.4 | CCCc1ccncc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL159517 | 59593 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 520 | 13 | 1 | 5 | 6.4 | CCCc1ccncc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 44374461 | 61579 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 521 | 13 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccccc3CCO)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL161252 | 61579 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 521 | 13 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccccc3CCO)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 13560651 | 61714 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 5.7 | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL161427 | 61714 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 5.7 | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 15024086 | 126724 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 492 | 11 | 1 | 5 | 5.8 | Cc1ccncc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL349625 | 126724 | 0 | None | - | 0 | Rat | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 492 | 11 | 1 | 5 | 5.8 | Cc1ccncc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 15684007 | 60055 | 0 | None | - | 0 | Human | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 518 | 11 | 2 | 4 | 5.6 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL159936 | 60055 | 0 | None | - | 0 | Human | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 518 | 11 | 2 | 4 | 5.6 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 44374837 | 60104 | 0 | None | - | 0 | Human | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 607 | 11 | 2 | 6 | 4.2 | CC(C)(CNS(=O)(=O)c1ccc(I)cc1)c1cccc(/C(=N\OCCC(=O)O)c2cccnc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL159979 | 60104 | 0 | None | - | 0 | Human | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 607 | 11 | 2 | 6 | 4.2 | CC(C)(CNS(=O)(=O)c1ccc(I)cc1)c1cccc(/C(=N\OCCC(=O)O)c2cccnc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 44385778 | 67080 | 0 | None | - | 0 | Human | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 500 | 11 | 1 | 4 | 6.9 | O=C(O)CC1CCCc2c1n(Cc1cccc(OCCCCCc3cccnc3)c1)c1ccc(F)cc21 | 10.1016/S0960-894X(00)80601-0 | ||
| CHEMBL174388 | 67080 | 0 | None | - | 0 | Human | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 500 | 11 | 1 | 4 | 6.9 | O=C(O)CC1CCCc2c1n(Cc1cccc(OCCCCCc3cccnc3)c1)c1ccc(F)cc21 | 10.1016/S0960-894X(00)80601-0 | ||
| 44386372 | 136174 | 0 | None | - | 0 | Human | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 338 | 4 | 1 | 3 | 4.1 | O=C(O)CC1CCCc2c1n(Cc1cccnc1)c1ccc(F)cc21 | 10.1016/S0960-894X(00)80601-0 | ||
| CHEMBL367109 | 136174 | 0 | None | - | 0 | Human | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 338 | 4 | 1 | 3 | 4.1 | O=C(O)CC1CCCc2c1n(Cc1cccnc1)c1ccc(F)cc21 | 10.1016/S0960-894X(00)80601-0 | ||
| 18926585 | 179516 | 0 | None | - | 0 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 456 | 8 | 2 | 6 | 3.6 | Cc1c(Cn2ccnc2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2n1CCC(=O)O | 10.1016/0960-894X(96)00299-5 | ||
| CHEMBL45075 | 179516 | 0 | None | - | 0 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 456 | 8 | 2 | 6 | 3.6 | Cc1c(Cn2ccnc2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2n1CCC(=O)O | 10.1016/0960-894X(96)00299-5 | ||
| 44374561 | 126783 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 477 | 11 | 1 | 4 | 6.1 | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL350111 | 126783 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 477 | 11 | 1 | 4 | 6.1 | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 15024085 | 175045 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 478 | 11 | 1 | 5 | 5.5 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2cccnc2)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL433884 | 175045 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 478 | 11 | 1 | 5 | 5.5 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2cccnc2)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 44374440 | 62922 | 0 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 5.7 | O=C(O)CC/C=C\CO[C@@H]1C(OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL162589 | 62922 | 0 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 5.7 | O=C(O)CC/C=C\CO[C@@H]1C(OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 5362391 | 105872 | 25 | None | - | 1 | Human | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 366 | 8 | 1 | 4 | 4.1 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL280728 | 105872 | 25 | None | - | 1 | Human | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 366 | 8 | 1 | 4 | 4.1 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 5362391 | 105872 | 25 | None | - | 1 | Human | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 366 | 8 | 1 | 4 | 4.1 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL280728 | 105872 | 25 | None | - | 1 | Human | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 366 | 8 | 1 | 4 | 4.1 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 | 10.1016/S0960-894X(01)81050-7 | ||
| 44385951 | 68885 | 0 | None | - | 0 | Human | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 484 | 10 | 1 | 3 | 7.1 | O=C(O)CC1CCCc2c1n(Cc1cccc(CCCCCc3cccnc3)c1)c1ccc(F)cc21 | 10.1016/S0960-894X(00)80601-0 | ||
| CHEMBL177596 | 68885 | 0 | None | - | 0 | Human | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 484 | 10 | 1 | 3 | 7.1 | O=C(O)CC1CCCc2c1n(Cc1cccc(CCCCCc3cccnc3)c1)c1ccc(F)cc21 | 10.1016/S0960-894X(00)80601-0 | ||
| 10554248 | 126406 | 0 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 531 | 14 | 2 | 6 | 6.1 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCOCC3CCCCC3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| CHEMBL346644 | 126406 | 0 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 531 | 14 | 2 | 6 | 6.1 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCOCC3CCCCC3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| 5362391 | 105872 | 25 | None | - | 1 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 366 | 8 | 1 | 4 | 4.1 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 | 10.1016/S0960-894X(01)80104-9 | ||
| CHEMBL280728 | 105872 | 25 | None | - | 1 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 366 | 8 | 1 | 4 | 4.1 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 | 10.1016/S0960-894X(01)80104-9 | ||
| 10602360 | 46317 | 0 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 533 | 14 | 2 | 7 | 5.1 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCOCC3CCCCO3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| CHEMBL147308 | 46317 | 0 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 533 | 14 | 2 | 7 | 5.1 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCOCC3CCCCO3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| 9869582 | 105412 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 476 | 10 | 1 | 8 | 5.1 | Cc1ccc(OC(C)(C)[C@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c3cncs3)O2)c([N+](=O)[O-])c1 | 10.1016/S0960-894X(00)80210-3 | ||
| CHEMBL277167 | 105412 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 476 | 10 | 1 | 8 | 5.1 | Cc1ccc(OC(C)(C)[C@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c3cncs3)O2)c([N+](=O)[O-])c1 | 10.1016/S0960-894X(00)80210-3 | ||
| 44374516 | 126683 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3cccc(CO)c3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL349187 | 126683 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3cccc(CO)c3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374561 | 126783 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 477 | 11 | 1 | 4 | 6.1 | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL350111 | 126783 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 477 | 11 | 1 | 4 | 6.1 | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44326541 | 175918 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 393 | 7 | 2 | 5 | 4.5 | N#Cc1ccc([C@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c3ccccc3O)O2)cc1 | 10.1016/0960-894X(96)00004-2 | ||
| CHEMBL440321 | 175918 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 393 | 7 | 2 | 5 | 4.5 | N#Cc1ccc([C@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c3ccccc3O)O2)cc1 | 10.1016/0960-894X(96)00004-2 | ||
| 13560651 | 61714 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 5.7 | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL161427 | 61714 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 5.7 | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374711 | 126822 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3ccc(CO)cc3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL350418 | 126822 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3ccc(CO)cc3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374525 | 126915 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 570 | 13 | 2 | 6 | 5.5 | CS(=O)(=O)Nc1cccc(-c2ccc(COC3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)c1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL351252 | 126915 | 0 | None | - | 0 | Rat | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 570 | 13 | 2 | 6 | 5.5 | CS(=O)(=O)Nc1cccc(-c2ccc(COC3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)c1 | 10.1016/S0960-894X(01)81049-0 | ||
| 6439002 | 126296 | 5 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 318 | 7 | 1 | 3 | 4.3 | CC1(C)OC[C@@H](C/C=C\CCCC(=O)O)[C@@H](c2ccccc2)O1 | 10.1021/jm00384a012 | ||
| CHEMBL345614 | 126296 | 5 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 318 | 7 | 1 | 3 | 4.3 | CC1(C)OC[C@@H](C/C=C\CCCC(=O)O)[C@@H](c2ccccc2)O1 | 10.1021/jm00384a012 | ||
| 44374666 | 126735 | 0 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 290 | 7 | 1 | 3 | 3.5 | O=C(O)CCC/C=C\C[C@@H]1COCO[C@@H]1c1ccccc1 | 10.1021/jm00384a012 | ||
| CHEMBL349706 | 126735 | 0 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 290 | 7 | 1 | 3 | 3.5 | O=C(O)CCC/C=C\C[C@@H]1COCO[C@@H]1c1ccccc1 | 10.1021/jm00384a012 | ||
| 44386373 | 172764 | 0 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 486 | 10 | 1 | 4 | 6.5 | O=C(O)CC1CCCc2c1n(Cc1cccc(OCCCCc3cccnc3)c1)c1ccc(F)cc21 | 10.1016/S0960-894X(00)80601-0 | ||
| CHEMBL425325 | 172764 | 0 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 486 | 10 | 1 | 4 | 6.5 | O=C(O)CC1CCCc2c1n(Cc1cccc(OCCCCc3cccnc3)c1)c1ccc(F)cc21 | 10.1016/S0960-894X(00)80601-0 | ||
| 10768772 | 49600 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 539 | 15 | 2 | 6 | 6.4 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCCCOc3ccccc3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| CHEMBL150252 | 49600 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 539 | 15 | 2 | 6 | 6.4 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCCCOc3ccccc3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| 10530889 | 49541 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 559 | 15 | 2 | 6 | 6.9 | CC(OCCCNC(=O)c1coc(-c2ccc(/C(=C\CCCCC(=O)O)c3cccnc3)cc2)n1)C1CCCCC1 | 10.1021/jm980173n | ||
| CHEMBL150206 | 49541 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 559 | 15 | 2 | 6 | 6.9 | CC(OCCCNC(=O)c1coc(-c2ccc(/C(=C\CCCCC(=O)O)c3cccnc3)cc2)n1)C1CCCCC1 | 10.1021/jm980173n | ||
| 44344807 | 20671 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 479 | 9 | 2 | 4 | 5.2 | O=C(O)CCC/C=C\C[C@@H]1CN(S(=O)(=O)c2cccc3ccccc23)C[C@@H]1c1ccccc1O | 10.1016/0960-894X(96)00021-2 | ||
| CHEMBL119624 | 20671 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 479 | 9 | 2 | 4 | 5.2 | O=C(O)CCC/C=C\C[C@@H]1CN(S(=O)(=O)c2cccc3ccccc23)C[C@@H]1c1ccccc1O | 10.1016/0960-894X(96)00021-2 | ||
| 18926535 | 107938 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 442 | 8 | 2 | 6 | 3.3 | O=C(O)CCn1cc(Cn2ccnc2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 | 10.1016/0960-894X(96)00299-5 | ||
| CHEMBL295512 | 107938 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 442 | 8 | 2 | 6 | 3.3 | O=C(O)CCn1cc(Cn2ccnc2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 | 10.1016/0960-894X(96)00299-5 | ||
| 44374487 | 126858 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccccc3CO)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL350805 | 126858 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccccc3CO)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374546 | 126945 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 493 | 11 | 2 | 5 | 5.8 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccc(O)cc3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL351563 | 126945 | 0 | None | - | 0 | Rat | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 493 | 11 | 2 | 5 | 5.8 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccc(O)cc3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 14371756 | 85152 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2ccccc2CO)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL2110359 | 85152 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2ccccc2CO)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374579 | 126268 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 570 | 13 | 2 | 6 | 5.5 | CS(=O)(=O)Nc1ccccc1-c1ccc(CO[C@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL345396 | 126268 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 570 | 13 | 2 | 6 | 5.5 | CS(=O)(=O)Nc1ccccc1-c1ccc(CO[C@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374546 | 126945 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 493 | 11 | 2 | 5 | 5.8 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccc(O)cc3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL351563 | 126945 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 493 | 11 | 2 | 5 | 5.8 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccc(O)cc3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 15024092 | 59014 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 508 | 12 | 2 | 6 | 5.0 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2cncc(CO)c2)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL158875 | 59014 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 508 | 12 | 2 | 6 | 5.0 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2cncc(CO)c2)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 15024097 | 59963 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 492 | 11 | 1 | 5 | 5.8 | Cc1cnccc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL159860 | 59963 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 492 | 11 | 1 | 5 | 5.8 | Cc1cnccc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 15024098 | 126806 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 506 | 12 | 1 | 5 | 6.0 | CCc1cnccc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL350292 | 126806 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 506 | 12 | 1 | 5 | 6.0 | CCc1cnccc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 44332843 | 11496 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 294 | 5 | 2 | 2 | 3.5 | Cc1[nH]c2ccc(CCC(=O)O)cc2c1Cc1ccncc1 | 10.1016/0960-894X(95)00529-4 | ||
| CHEMBL103580 | 11496 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 294 | 5 | 2 | 2 | 3.5 | Cc1[nH]c2ccc(CCC(=O)O)cc2c1Cc1ccncc1 | 10.1016/0960-894X(95)00529-4 | ||
| 10601707 | 50883 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 507 | 11 | 2 | 5 | 6.1 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| CHEMBL151519 | 50883 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 507 | 11 | 2 | 5 | 6.1 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| 15684007 | 60055 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 518 | 11 | 2 | 4 | 5.6 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL159936 | 60055 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 518 | 11 | 2 | 4 | 5.6 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 44374550 | 59914 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 535 | 12 | 3 | 5 | 5.6 | NC(=O)Nc1ccccc1-c1ccc(COC2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL159814 | 59914 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 535 | 12 | 3 | 5 | 5.6 | NC(=O)Nc1ccccc1-c1ccc(COC2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374579 | 126268 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 570 | 13 | 2 | 6 | 5.5 | CS(=O)(=O)Nc1ccccc1-c1ccc(CO[C@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL345396 | 126268 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 570 | 13 | 2 | 6 | 5.5 | CS(=O)(=O)Nc1ccccc1-c1ccc(CO[C@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374439 | 126837 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 5.7 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL350579 | 126837 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 5.7 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374439 | 126837 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 5.7 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL350579 | 126837 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 5.7 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374857 | 63050 | 0 | None | - | 0 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 495 | 12 | 2 | 6 | 4.2 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL162879 | 63050 | 0 | None | - | 0 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 495 | 12 | 2 | 6 | 4.2 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 15684002 | 126640 | 0 | None | - | 0 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 576 | 11 | 2 | 4 | 4.9 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL348790 | 126640 | 0 | None | - | 0 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 576 | 11 | 2 | 4 | 4.9 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 44386425 | 130601 | 0 | None | - | 0 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 498 | 10 | 1 | 4 | 7.0 | O=C(O)CC1CCCc2c1n(Cc1cccc(OCCC/C=C\c3cccnc3)c1)c1ccc(F)cc21 | 10.1016/S0960-894X(00)80601-0 | ||
| CHEMBL362418 | 130601 | 0 | None | - | 0 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 498 | 10 | 1 | 4 | 7.0 | O=C(O)CC1CCCc2c1n(Cc1cccc(OCCC/C=C\c3cccnc3)c1)c1ccc(F)cc21 | 10.1016/S0960-894X(00)80601-0 | ||
| 5284442 | 103950 | 30 | None | - | 0 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 281 | 7 | 1 | 2 | 4.2 | O=C(O)CCCC/C=C(\c1ccccc1)c1cccnc1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL26820 | 103950 | 30 | None | - | 0 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 281 | 7 | 1 | 2 | 4.2 | O=C(O)CCCC/C=C(\c1ccccc1)c1cccnc1 | 10.1016/S0960-894X(01)81051-9 | ||
| 5284442 | 103950 | 30 | None | - | 0 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 281 | 7 | 1 | 2 | 4.2 | O=C(O)CCCC/C=C(\c1ccccc1)c1cccnc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL26820 | 103950 | 30 | None | - | 0 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 281 | 7 | 1 | 2 | 4.2 | O=C(O)CCCC/C=C(\c1ccccc1)c1cccnc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 10769084 | 49796 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 553 | 16 | 2 | 6 | 6.8 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCCCCOc3ccccc3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| CHEMBL150436 | 49796 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 553 | 16 | 2 | 6 | 6.8 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCCCCOc3ccccc3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| 10696954 | 49991 | 0 | None | - | 0 | Human | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 507 | 16 | 2 | 7 | 4.6 | COCCOCCCNC(=O)c1coc(-c2ccc(/C(=C\CCCCC(=O)O)c3cccnc3)cc2)n1 | 10.1021/jm980173n | ||
| CHEMBL150598 | 49991 | 0 | None | - | 0 | Human | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 507 | 16 | 2 | 7 | 4.6 | COCCOCCCNC(=O)c1coc(-c2ccc(/C(=C\CCCCC(=O)O)c3cccnc3)cc2)n1 | 10.1021/jm980173n | ||
| 44332844 | 11542 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 481 | 10 | 2 | 5 | 3.8 | O=C(O)CCc1ccc2c(c1)c(Cc1ccncc1)cn2CCNS(=O)(=O)c1ccc(F)cc1 | 10.1016/0960-894X(95)00529-4 | ||
| CHEMBL103924 | 11542 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 481 | 10 | 2 | 5 | 3.8 | O=C(O)CCc1ccc2c(c1)c(Cc1ccncc1)cn2CCNS(=O)(=O)c1ccc(F)cc1 | 10.1016/0960-894X(95)00529-4 | ||
| 44374518 | 59366 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3cccc(CO)c3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL159275 | 59366 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3cccc(CO)c3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374550 | 59914 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 535 | 12 | 3 | 5 | 5.6 | NC(=O)Nc1ccccc1-c1ccc(COC2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL159814 | 59914 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 535 | 12 | 3 | 5 | 5.6 | NC(=O)Nc1ccccc1-c1ccc(COC2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| 13560651 | 61714 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 5.7 | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL161427 | 61714 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 5.7 | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374723 | 61952 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 584 | 14 | 2 | 6 | 5.1 | CNS(=O)(=O)Cc1ccccc1-c1ccc(COC2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL161746 | 61952 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 584 | 14 | 2 | 6 | 5.1 | CNS(=O)(=O)Cc1ccccc1-c1ccc(COC2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44374482 | 126658 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 534 | 13 | 2 | 5 | 5.1 | NC(=O)Cc1ccccc1-c1ccc(COC2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL348980 | 126658 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 534 | 13 | 2 | 5 | 5.1 | NC(=O)Cc1ccccc1-c1ccc(COC2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44305522 | 209750 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 457 | 11 | 1 | 4 | 6.2 | O=C(O)CC/C=C\CC[C@@H]1[C@@H](c2cccnc2)OC[C@@H]1OCc1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(01)80104-9 | ||
| CHEMBL63040 | 209750 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 457 | 11 | 1 | 4 | 6.2 | O=C(O)CC/C=C\CC[C@@H]1[C@@H](c2cccnc2)OC[C@@H]1OCc1ccc(-c2ccccc2)cc1 | 10.1016/S0960-894X(01)80104-9 | ||
| 44305538 | 108913 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 457 | 11 | 1 | 4 | 6.2 | O=C(O)CC/C=C\CC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CO[C@@H]1c1cccnc1 | 10.1016/S0960-894X(01)80104-9 | ||
| CHEMBL302457 | 108913 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 457 | 11 | 1 | 4 | 6.2 | O=C(O)CC/C=C\CC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CO[C@@H]1c1cccnc1 | 10.1016/S0960-894X(01)80104-9 | ||
| 10505899 | 50547 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 511 | 13 | 2 | 6 | 5.6 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCOc3ccccc3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| CHEMBL151083 | 50547 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 511 | 13 | 2 | 6 | 5.6 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCOc3ccccc3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| 15024095 | 63000 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 478 | 11 | 1 | 5 | 5.5 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2ccncc2)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| CHEMBL162691 | 63000 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 478 | 11 | 1 | 5 | 5.5 | O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2ccncc2)cc1 | 10.1016/S0960-894X(01)81050-7 | ||
| 44374516 | 126683 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3cccc(CO)c3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL349187 | 126683 | 0 | None | - | 0 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 507 | 12 | 2 | 5 | 5.6 | O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3cccc(CO)c3)cc2)CC[C@@H]1N1CCCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 10406932 | 105792 | 1 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 371 | 4 | 1 | 2 | 5.4 | O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21 | 10.1016/S0960-894X(00)80601-0 | ||
| CHEMBL280107 | 105792 | 1 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 371 | 4 | 1 | 2 | 5.4 | O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21 | 10.1016/S0960-894X(00)80601-0 | ||
| 15462460 | 208623 | 0 | None | - | 0 | Human | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 445 | 11 | 2 | 5 | 5.0 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCC3CC3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| CHEMBL60710 | 208623 | 0 | None | - | 0 | Human | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 445 | 11 | 2 | 5 | 5.0 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCC3CC3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| 44374895 | 59500 | 0 | None | - | 0 | Human | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 450 | 11 | 2 | 4 | 4.3 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccccc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL159447 | 59500 | 0 | None | - | 0 | Human | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 450 | 11 | 2 | 4 | 4.3 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccccc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 44374917 | 61710 | 0 | None | - | 0 | Human | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 590 | 12 | 2 | 4 | 5.3 | O=C(O)CCCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL161422 | 61710 | 0 | None | - | 0 | Human | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 590 | 12 | 2 | 4 | 5.3 | O=C(O)CCCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 44374845 | 126956 | 0 | None | - | 0 | Human | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 468 | 11 | 2 | 4 | 4.4 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(F)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL351657 | 126956 | 0 | None | - | 0 | Human | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 468 | 11 | 2 | 4 | 4.4 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(F)cc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 44374439 | 126837 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 5.7 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| CHEMBL350579 | 126837 | 0 | None | - | 0 | Rat | 6.1 | pKd | = | 6.1 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 5.7 | O=C(O)CC/C=C\CO[C@H]1C(OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1 | 10.1016/S0960-894X(01)81049-0 | ||
| 44375026 | 126528 | 0 | None | - | 0 | Human | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 436 | 10 | 2 | 4 | 3.9 | O=C(O)CC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccccc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| CHEMBL347812 | 126528 | 0 | None | - | 0 | Human | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 436 | 10 | 2 | 4 | 3.9 | O=C(O)CC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccccc2)c1 | 10.1016/S0960-894X(01)81051-9 | ||
| 5362391 | 105872 | 25 | None | - | 1 | Human | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 366 | 8 | 1 | 4 | 4.1 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 | 10.1021/jm980173n | ||
| CHEMBL280728 | 105872 | 25 | None | - | 1 | Human | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 366 | 8 | 1 | 4 | 4.1 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 | 10.1021/jm980173n | ||
| 51550 | 212529 | 14 | None | - | 1 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 335 | 8 | 2 | 4 | 1.7 | O=C(O)COc1ccc(CCNS(=O)(=O)c2ccccc2)cc1 | 10.1016/0960-894X(95)00529-4 | ||
| CHEMBL8273 | 212529 | 14 | None | - | 1 | Rat | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 335 | 8 | 2 | 4 | 1.7 | O=C(O)COc1ccc(CCNS(=O)(=O)c2ccccc2)cc1 | 10.1016/0960-894X(95)00529-4 | ||
| 10720045 | 49946 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 495 | 12 | 2 | 5 | 5.8 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCc3ccccc3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| CHEMBL150563 | 49946 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 495 | 12 | 2 | 5 | 5.8 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCc3ccccc3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| 5284442 | 103950 | 30 | None | - | 0 | Human | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 281 | 7 | 1 | 2 | 4.2 | O=C(O)CCCC/C=C(\c1ccccc1)c1cccnc1 | 10.1021/jm980173n | ||
| CHEMBL26820 | 103950 | 30 | None | - | 0 | Human | 5.1 | pKd | = | 5.1 | Functional | ChEMBL | 281 | 7 | 1 | 2 | 4.2 | O=C(O)CCCC/C=C(\c1ccccc1)c1cccnc1 | 10.1021/jm980173n | ||
| 10768926 | 50068 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 545 | 15 | 2 | 6 | 6.7 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCCCOC3CCCCC3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| CHEMBL150660 | 50068 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 545 | 15 | 2 | 6 | 6.7 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCCCOC3CCCCC3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| 9958626 | 108480 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 529 | 14 | 2 | 5 | 7.3 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| CHEMBL299467 | 108480 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8 | Functional | ChEMBL | 529 | 14 | 2 | 5 | 7.3 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)cc1)c1cccnc1 | 10.1021/jm980173n | ||
| 52944928 | 26064 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 447 | 5 | 1 | 4 | 4.8 | C[C@@H](c1ccc(F)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | ||
| CHEMBL1290414 | 26064 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 447 | 5 | 1 | 4 | 4.8 | C[C@@H](c1ccc(F)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | ||
| 9817405 | 172182 | 5 | None | - | 0 | Human | 5.0 | pKi | = | 5 | Functional | ChEMBL | 288 | 4 | 1 | 1 | 4.5 | O=C(O)/C=C/c1ccccc1Cc1ccc2ccccc2c1 | 10.1016/s0960-894x(01)00056-7 | ||
| CHEMBL423815 | 172182 | 5 | None | - | 0 | Human | 5.0 | pKi | = | 5 | Functional | ChEMBL | 288 | 4 | 1 | 1 | 4.5 | O=C(O)/C=C/c1ccccc1Cc1ccc2ccccc2c1 | 10.1016/s0960-894x(01)00056-7 | ||
| 52949846 | 26081 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 507 | 5 | 1 | 4 | 5.5 | C[C@@H](c1ccc(Br)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | ||
| CHEMBL1290523 | 26081 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 507 | 5 | 1 | 4 | 5.5 | C[C@@H](c1ccc(Br)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | ||
| 52943623 | 25752 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 497 | 5 | 1 | 4 | 6.0 | C[C@@H](c1ccc(Cl)c(Cl)c1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | ||
| CHEMBL1287835 | 25752 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 497 | 5 | 1 | 4 | 6.0 | C[C@@H](c1ccc(Cl)c(Cl)c1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | ||
| 11386109 | 26103 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 481 | 6 | 1 | 4 | 5.3 | CS(=O)(=O)c1cc(F)cc2c3c(n([C@@H](CF)c4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CCC3 | 10.1016/j.bmcl.2010.10.018 | ||
| CHEMBL1290639 | 26103 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 481 | 6 | 1 | 4 | 5.3 | CS(=O)(=O)c1cc(F)cc2c3c(n([C@@H](CF)c4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CCC3 | 10.1016/j.bmcl.2010.10.018 | ||
| 11294992 | 26123 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 499 | 6 | 1 | 4 | 5.6 | CS(=O)(=O)c1cc(F)cc2c3c(n([C@H](c4ccc(Cl)cc4)C(F)F)c12)[C@@H](CC(=O)O)CCC3 | 10.1016/j.bmcl.2010.10.018 | ||
| CHEMBL1290755 | 26123 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 499 | 6 | 1 | 4 | 5.6 | CS(=O)(=O)c1cc(F)cc2c3c(n([C@H](c4ccc(Cl)cc4)C(F)F)c12)[C@@H](CC(=O)O)CCC3 | 10.1016/j.bmcl.2010.10.018 | ||
| 52945002 | 26102 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 507 | 6 | 1 | 6 | 4.1 | C[C@@H](c1ccc(S(C)(=O)=O)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | ||
| CHEMBL1290638 | 26102 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 507 | 6 | 1 | 6 | 4.1 | C[C@@H](c1ccc(S(C)(=O)=O)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | ||
| 10095268 | 92931 | 0 | None | -7 | 3 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 449 | 6 | 1 | 3 | 6.8 | Cc1ccc(-n2c(C)ccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1C(=O)O | 10.1016/j.bmcl.2006.11.059 | ||
| CHEMBL231184 | 92931 | 0 | None | -7 | 3 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 449 | 6 | 1 | 3 | 6.8 | Cc1ccc(-n2c(C)ccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1C(=O)O | 10.1016/j.bmcl.2006.11.059 | ||
| 44390268 | 71043 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.9 | O=C(O)CCn1c2c(c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc31)CCCC2 | 10.1016/j.bmcl.2004.12.055 | ||
| CHEMBL180929 | 71043 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.9 | O=C(O)CCn1c2c(c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc31)CCCC2 | 10.1016/j.bmcl.2004.12.055 | ||
| 123879 | 10060 | 82 | None | 1 | 6 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1016/j.bmcl.2004.12.055 | ||
| 1910 | 10060 | 82 | None | 1 | 6 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1016/j.bmcl.2004.12.055 | ||
| 1911 | 10060 | 82 | None | 1 | 6 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1016/j.bmcl.2004.12.055 | ||
| 2354 | 10060 | 82 | None | 1 | 6 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1016/j.bmcl.2004.12.055 | ||
| CHEMBL361812 | 10060 | 82 | None | 1 | 6 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1016/j.bmcl.2004.12.055 | ||
| DB13036 | 10060 | 82 | None | 1 | 6 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1016/j.bmcl.2004.12.055 | ||
| 11259797 | 26006 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 463 | 5 | 1 | 4 | 5.3 | C[C@@H](c1ccc(Cl)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | ||
| CHEMBL1290079 | 26006 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 463 | 5 | 1 | 4 | 5.3 | C[C@@H](c1ccc(Cl)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | ||
| 10216985 | 25992 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 449 | 5 | 1 | 4 | 4.8 | CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 | 10.1016/j.bmcl.2010.10.018 | ||
| CHEMBL1289984 | 25992 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 449 | 5 | 1 | 4 | 4.8 | CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 | 10.1016/j.bmcl.2010.10.018 | ||
| 21019821 | 26007 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 481 | 5 | 1 | 4 | 5.5 | C[C@@H](c1ccc(Cl)c(F)c1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | ||
| CHEMBL1290080 | 26007 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 481 | 5 | 1 | 4 | 5.5 | C[C@@H](c1ccc(Cl)c(F)c1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | ||
| 52948543 | 26022 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 481 | 5 | 1 | 4 | 5.5 | C[C@@H](c1ccc(Cl)cc1F)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | ||
| CHEMBL1290187 | 26022 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 481 | 5 | 1 | 4 | 5.5 | C[C@@H](c1ccc(Cl)cc1F)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | ||
| 52948585 | 26040 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 463 | 5 | 1 | 4 | 5.3 | C[C@@H](c1cccc(Cl)c1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | ||
| CHEMBL1290299 | 26040 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 463 | 5 | 1 | 4 | 5.3 | C[C@@H](c1cccc(Cl)c1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | ||
| 24760470 | 21511 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 334 | 4 | 1 | 4 | 4.6 | CC(C)Cc1cn(-c2nc(C(=O)O)cs2)c2cc(Cl)ccc12 | 10.1016/j.bmcl.2008.03.018 | ||
| CHEMBL1206294 | 21511 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 334 | 4 | 1 | 4 | 4.6 | CC(C)Cc1cn(-c2nc(C(=O)O)cs2)c2cc(Cl)ccc12 | 10.1016/j.bmcl.2008.03.018 | ||
| CHEMBL257997 | 21511 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 334 | 4 | 1 | 4 | 4.6 | CC(C)Cc1cn(-c2nc(C(=O)O)cs2)c2cc(Cl)ccc12 | 10.1016/j.bmcl.2008.03.018 | ||
| 11488860 | 26063 | 0 | None | -7762 | 2 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 497 | 5 | 1 | 4 | 5.7 | C[C@@H](c1ccc(C(F)(F)F)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | ||
| CHEMBL1290413 | 26063 | 0 | None | -7762 | 2 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 497 | 5 | 1 | 4 | 5.7 | C[C@@H](c1ccc(C(F)(F)F)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | ||
| 52941281 | 26039 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 429 | 5 | 1 | 4 | 4.7 | C[C@@H](c1ccccc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | ||
| CHEMBL1290298 | 26039 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 429 | 5 | 1 | 4 | 4.7 | C[C@@H](c1ccccc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | ||
| 24760471 | 21616 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 317 | 4 | 1 | 3 | 4.8 | CC(C)Cc1cn(-c2ccc(C(=O)O)o2)c2cc(Cl)ccc12 | 10.1016/j.bmcl.2008.03.018 | ||
| CHEMBL1207406 | 21616 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 317 | 4 | 1 | 3 | 4.8 | CC(C)Cc1cn(-c2ccc(C(=O)O)o2)c2cc(Cl)ccc12 | 10.1016/j.bmcl.2008.03.018 | ||
| CHEMBL403407 | 21616 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 317 | 4 | 1 | 3 | 4.8 | CC(C)Cc1cn(-c2ccc(C(=O)O)o2)c2cc(Cl)ccc12 | 10.1016/j.bmcl.2008.03.018 | ||
| 9817292 | 64001 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 284 | 5 | 1 | 2 | 4.1 | CSc1ccc(Cc2ccccc2/C=C/C(=O)O)cc1 | 10.1016/s0960-894x(01)00056-7 | ||
| CHEMBL165010 | 64001 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 284 | 5 | 1 | 2 | 4.1 | CSc1ccc(Cc2ccccc2/C=C/C(=O)O)cc1 | 10.1016/s0960-894x(01)00056-7 | ||
| 24760390 | 21505 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 378 | 4 | 1 | 4 | 4.7 | CC(C)Cc1cn(-c2nc(C(=O)O)cs2)c2cc(Br)ccc12 | 10.1016/j.bmcl.2008.03.018 | ||
| CHEMBL1206284 | 21505 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 378 | 4 | 1 | 4 | 4.7 | CC(C)Cc1cn(-c2nc(C(=O)O)cs2)c2cc(Br)ccc12 | 10.1016/j.bmcl.2008.03.018 | ||
| CHEMBL257134 | 21505 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 378 | 4 | 1 | 4 | 4.7 | CC(C)Cc1cn(-c2nc(C(=O)O)cs2)c2cc(Br)ccc12 | 10.1016/j.bmcl.2008.03.018 | ||
| 44377464 | 126863 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 306 | 4 | 1 | 1 | 4.7 | O=C(O)/C=C/c1ccccc1Cc1ccc(Cl)cc1Cl | 10.1016/s0960-894x(01)00056-7 | ||
| CHEMBL350832 | 126863 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 306 | 4 | 1 | 1 | 4.7 | O=C(O)/C=C/c1ccccc1Cc1ccc(Cl)cc1Cl | 10.1016/s0960-894x(01)00056-7 | ||
| 24760322 | 21494 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 362 | 4 | 1 | 4 | 5.4 | CC(C)(C)CCc1cn(-c2nc(C(=O)O)cs2)c2cc(Cl)ccc12 | 10.1016/j.bmcl.2008.03.018 | ||
| CHEMBL1206265 | 21494 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 362 | 4 | 1 | 4 | 5.4 | CC(C)(C)CCc1cn(-c2nc(C(=O)O)cs2)c2cc(Cl)ccc12 | 10.1016/j.bmcl.2008.03.018 | ||
| CHEMBL255675 | 21494 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 362 | 4 | 1 | 4 | 5.4 | CC(C)(C)CCc1cn(-c2nc(C(=O)O)cs2)c2cc(Cl)ccc12 | 10.1016/j.bmcl.2008.03.018 | ||
| 10402929 | 64317 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 306 | 4 | 1 | 1 | 4.7 | O=C(O)/C=C/c1ccccc1Cc1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00056-7 | ||
| CHEMBL166351 | 64317 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 306 | 4 | 1 | 1 | 4.7 | O=C(O)/C=C/c1ccccc1Cc1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(01)00056-7 | ||
| 52944959 | 26082 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 454 | 5 | 1 | 5 | 4.6 | C[C@@H](c1ccc(C#N)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | ||
| CHEMBL1290524 | 26082 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 454 | 5 | 1 | 5 | 4.6 | C[C@@H](c1ccc(C#N)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2010.10.018 | ||
| 6071 | 7099 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | 382 | 13 | 2 | 5 | 4.4 | CCCCC[C@@H](CC[C@H]1[C@@H]2OC(=O)O[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 8882612 | ||
| 73755173 | 7099 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | Guide to Pharmacology | 382 | 13 | 2 | 5 | 4.4 | CCCCC[C@@H](CC[C@H]1[C@@H]2OC(=O)O[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 8882612 | ||
| 11968293 | 7100 | 0 | None | - | 1 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 366 | 12 | 2 | 5 | 4.1 | CCCCC[C@@H](/C=C/[C@H]1[C@H]2OC(=O)O[C@H]([C@@H]1C/C=C\CCCCO)C2)O | 8882612 | ||
| 3387 | 7100 | 0 | None | - | 1 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 366 | 12 | 2 | 5 | 4.1 | CCCCC[C@@H](/C=C/[C@H]1[C@H]2OC(=O)O[C@H]([C@@H]1C/C=C\CCCCO)C2)O | 8882612 | ||
| 6070 | 10432 | 0 | None | - | 1 | Rat | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.5 | CCCCC[C@@H](/C=C/[C@H]1C[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O2)O | 4067988 | ||
| 73755172 | 10432 | 0 | None | - | 1 | Rat | 9.1 | pEC50 | = | 9.1 | Functional | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.5 | CCCCC[C@@H](/C=C/[C@H]1C[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O2)O | 4067988 | ||
| 10341876 | 9787 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 416 | 17 | 1 | 3 | 6.8 | CCCCC/C=C\CC(C(C1CC1)[C@H](/C=C\C/C=C\CCCC(=O)OC)O)C1CC1 | 14560042 | ||
| 9755 | 9787 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 416 | 17 | 1 | 3 | 6.8 | CCCCC/C=C\CC(C(C1CC1)[C@H](/C=C\C/C=C\CCCC(=O)OC)O)C1CC1 | 14560042 | ||
| 10341876 | 9787 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | Guide to Pharmacology | 416 | 17 | 1 | 3 | 6.8 | CCCCC/C=C\CC(C(C1CC1)[C@H](/C=C\C/C=C\CCCC(=O)OC)O)C1CC1 | 14560042 | ||
| 9755 | 9787 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | Guide to Pharmacology | 416 | 17 | 1 | 3 | 6.8 | CCCCC/C=C\CC(C(C1CC1)[C@H](/C=C\C/C=C\CCCC(=O)OC)O)C1CC1 | 14560042 | ||
| 11537 | 9672 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | Guide to Pharmacology | 515 | 7 | 2 | 6 | 5.4 | N#Cc1ccc(c(c1)S(=O)(=O)NC(=O)NC(C)(C)C)Oc1cccc(c1)c1ccc(cc1)OC(F)F | None | ||
| 124147085 | 9672 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | Guide to Pharmacology | 515 | 7 | 2 | 6 | 5.4 | N#Cc1ccc(c(c1)S(=O)(=O)NC(=O)NC(C)(C)C)Oc1cccc(c1)c1ccc(cc1)OC(F)F | None | ||
| 11537 | 9672 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 515 | 7 | 2 | 6 | 5.4 | N#Cc1ccc(c(c1)S(=O)(=O)NC(=O)NC(C)(C)C)Oc1cccc(c1)c1ccc(cc1)OC(F)F | None | ||
| 124147085 | 9672 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Guide to Pharmacology | 515 | 7 | 2 | 6 | 5.4 | N#Cc1ccc(c(c1)S(=O)(=O)NC(=O)NC(C)(C)C)Oc1cccc(c1)c1ccc(cc1)OC(F)F | None | ||
| 6073 | 10557 | 49 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 407 | 6 | 2 | 3 | 3.5 | OC(=O)CCc1c(C)ccc2c1CC[C@H](C2)NS(=O)(=O)c1ccc(cc1)Cl | 9871769 | ||
| 9938840 | 10557 | 49 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 407 | 6 | 2 | 3 | 3.5 | OC(=O)CCc1c(C)ccc2c1CC[C@H](C2)NS(=O)(=O)c1ccc(cc1)Cl | 9871769 | ||
| CHEMBL2107786 | 10557 | 49 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | Guide to Pharmacology | 407 | 6 | 2 | 3 | 3.5 | OC(=O)CCc1c(C)ccc2c1CC[C@H](C2)NS(=O)(=O)c1ccc(cc1)Cl | 9871769 | ||
| 1939 | 10460 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 366 | 12 | 2 | 3 | 5.2 | CCCCC[C@H](/C=C/[C@H]1C[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)S2)O | 8242228 | ||
| 5311453 | 10460 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 366 | 12 | 2 | 3 | 5.2 | CCCCC[C@H](/C=C/[C@H]1C[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)S2)O | 8242228 | ||
| 23654676 | 8758 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 402 | 7 | 2 | 4 | 5.3 | OC(=O)CC/C=C/C[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)c1ccccc1Cl | 8859002 | ||
| 6072 | 8758 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 402 | 7 | 2 | 4 | 5.3 | OC(=O)CC/C=C/C[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)c1ccccc1Cl | 8859002 | ||
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| 31508 | 103993 | 38 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 278 | 2 | 0 | 3 | 4.0 | Cc1ccc2c(-c3ccccc3)nc(=O)n(C(C)C)c2c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL268501 | 103993 | 38 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 278 | 2 | 0 | 3 | 4.0 | Cc1ccc2c(-c3ccccc3)nc(=O)n(C(C)C)c2c1 | 10.1038/s41467-023-40064-9 | |||
| 91610 | 148131 | 96 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 527 | 7 | 2 | 6 | 3.5 | COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL383634 | 148131 | 96 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 527 | 7 | 2 | 6 | 3.5 | COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C | 10.1038/s41467-023-40064-9 | |||
| 5029 | 22317 | 92 | None | - | 4 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 3.0 | COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1219 | 22317 | 92 | None | - | 4 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 359 | 8 | 1 | 5 | 3.0 | COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C | 10.1038/s41467-023-40064-9 | |||
| 135564886 | 21265 | 5 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | |||
| 135673376 | 21265 | 5 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | |||
| 137157436 | 21265 | 5 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | |||
| 145948239 | 21265 | 5 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | |||
| 71587099 | 21265 | 5 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1201304 | 21265 | 5 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 752 | 14 | 1 | 6 | 8.7 | CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21 | 10.1038/s41467-023-40064-9 | |||
| 2179 | 174297 | 76 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 393 | 5 | 2 | 5 | 4.5 | COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1256655 | 174297 | 76 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 393 | 5 | 2 | 5 | 4.5 | COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL43 | 174297 | 76 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 393 | 5 | 2 | 5 | 4.5 | COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 | 10.1038/s41467-023-40064-9 | |||
| 53232 | 195404 | 95 | None | - | 2 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 404 | 6 | 1 | 5 | 4.2 | CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL503 | 195404 | 95 | None | - | 2 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 404 | 6 | 1 | 5 | 4.2 | CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | |||
| 5282219 | 42643 | 63 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 450 | 12 | 1 | 5 | 5.7 | CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1441961 | 42643 | 63 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 450 | 12 | 1 | 5 | 5.7 | CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1 | 10.1038/s41467-023-40064-9 | |||
| 4614 | 12163 | 103 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 293 | 5 | 1 | 3 | 4.0 | O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1071 | 12163 | 103 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 293 | 5 | 1 | 3 | 4.0 | O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 | 10.1038/s41467-023-40064-9 | |||
| 10531 | 8202 | 21 | None | - | 24 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | |||
| 121 | 8202 | 21 | None | - | 24 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | |||
| 888 | 8202 | 21 | None | - | 24 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1732 | 8202 | 21 | None | - | 24 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | |||
| DB00320 | 8202 | 21 | None | - | 24 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | |||
| 5353627 | 91316 | 8 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 411 | 8 | 3 | 4 | 4.6 | CC(C)n1c(/C=C/C(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2220442 | 91316 | 8 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 411 | 8 | 3 | 4 | 4.6 | CC(C)n1c(/C=C/C(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21 | 10.1038/s41467-023-40064-9 | |||
| 11980903 | 21264 | 19 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 22526 | 21264 | 19 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 5281035 | 21264 | 19 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1201303 | 21264 | 19 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 5991 | 210698 | 72 | None | - | 5 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 296 | 0 | 2 | 2 | 3.6 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL691 | 210698 | 72 | None | - | 5 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 296 | 0 | 2 | 2 | 3.6 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| 445643 | 104164 | 69 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 803 | 7 | 3 | 12 | 4.6 | C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL269732 | 104164 | 69 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 803 | 7 | 3 | 12 | 4.6 | C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC | 10.1038/s41467-023-40064-9 | |||
| 2812 | 11551 | 101 | None | - | 34 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL104 | 11551 | 101 | None | - | 34 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | 10.1038/s41467-023-40064-9 | |||
| 54454 | 12030 | 88 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 418 | 6 | 1 | 5 | 4.6 | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1064 | 12030 | 88 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 418 | 6 | 1 | 5 | 4.6 | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | |||
| 236702 | 52504 | 63 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 434 | 3 | 2 | 6 | 2.5 | CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1530428 | 52504 | 63 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 434 | 3 | 2 | 6 | 2.5 | CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| 2194 | 69857 | 101 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 240 | 2 | 0 | 4 | 4.2 | COc1ccc(-c2cc(=S)ss2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL178862 | 69857 | 101 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 240 | 2 | 0 | 4 | 4.2 | COc1ccc(-c2cc(=S)ss2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 2880 | 104784 | 49 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 310 | 5 | 0 | 3 | 4.6 | C=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL27289 | 104784 | 49 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 310 | 5 | 0 | 3 | 4.6 | C=C(c1ccccc1OCc1cccc(Cl)c1)n1ccnc1 | 10.1038/s41467-023-40064-9 | |||
| 216239 | 30567 | 118 | None | - | 7 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200485 | 30567 | 118 | None | - | 7 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1336 | 30567 | 118 | None | - | 7 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 464 | 5 | 3 | 4 | 5.6 | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | 10.1038/s41467-023-40064-9 | |||
| 2540 | 11173 | 111 | None | - | 4 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1014 | 11173 | 111 | None | - | 4 | Human | 5.8 | pAC50 | = | 5.8 | Binding | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 135398735 | 143746 | 32 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
| 136262914 | 143746 | 32 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL374478 | 143746 | 32 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
| 2583 | 10548 | 118 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 592 | 10548 | 118 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 65999 | 10548 | 118 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1017 | 10548 | 118 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB00966 | 10548 | 118 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 514 | 7 | 1 | 5 | 7.3 | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 1605 | 9121 | 117 | None | - | 4 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | |||
| 3957 | 9121 | 117 | None | - | 4 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | |||
| 7216 | 9121 | 117 | None | - | 4 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL998 | 9121 | 117 | None | - | 4 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | |||
| DB00455 | 9121 | 117 | None | - | 4 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | |||
| 392622 | 63086 | 95 | None | - | 4 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL163 | 63086 | 95 | None | - | 4 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | 10.1038/s41467-023-40064-9 | |||
| 104850 | 10103 | 96 | None | - | 6 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| 4150 | 10103 | 96 | None | - | 6 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| 743 | 10103 | 96 | None | - | 6 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL111 | 10103 | 96 | None | - | 6 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| DB06155 | 10103 | 96 | None | - | 6 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 5.9 | Clc1ccc(cc1)c1c(C)c(nn1c1ccc(cc1Cl)Cl)C(=O)NN1CCCCC1 | 10.1038/s41467-023-40064-9 | |||
| 6436173 | 61890 | 45 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1617 | 61890 | 45 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
| 448537 | 167029 | 89 | None | - | 25 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL411 | 167029 | 89 | None | - | 25 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
| 3784 | 63946 | 101 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 371 | 4 | 1 | 8 | 2.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1648 | 63946 | 101 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 371 | 4 | 1 | 8 | 2.6 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12 | 10.1038/s41467-023-40064-9 | |||
| 41781 | 16751 | 104 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 348 | 5 | 3 | 5 | 2.5 | Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1 | 10.1038/s41467-023-40064-9 | |||
| 51371498 | 16751 | 104 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 348 | 5 | 3 | 5 | 2.5 | Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1148 | 16751 | 104 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 348 | 5 | 3 | 5 | 2.5 | Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1 | 10.1038/s41467-023-40064-9 | |||
| 5282138 | 179902 | 95 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 492 | 10 | 1 | 8 | 4.3 | COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL452076 | 179902 | 95 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 492 | 10 | 1 | 8 | 4.3 | COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| 5564 | 212785 | 118 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 288 | 2 | 1 | 2 | 5.1 | Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL849 | 212785 | 118 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 288 | 2 | 1 | 2 | 5.1 | Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | |||
| 8730 | 202670 | 72 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 777 | 5 | 3 | 4 | 4.6 | N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 90657408 | 202670 | 72 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 777 | 5 | 3 | 4 | 4.6 | N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL559 | 202670 | 72 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 777 | 5 | 3 | 4 | 4.6 | N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O | 10.1038/s41467-023-40064-9 | |||
| 16220172 | 79818 | 95 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 392 | 2 | 3 | 3 | 5.1 | CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2010601 | 79818 | 95 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 392 | 2 | 3 | 3 | 5.1 | CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O | 10.1038/s41467-023-40064-9 | |||
| 240 | 7731 | 43 | None | - | 25 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | |||
| 2769 | 7731 | 43 | None | - | 25 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | |||
| 44279790 | 7731 | 43 | None | - | 25 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | |||
| 660 | 7731 | 43 | None | - | 25 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1729 | 7731 | 43 | None | - | 25 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | |||
| CHEMBL560739 | 7731 | 43 | None | - | 25 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | |||
| DB00604 | 7731 | 43 | None | - | 25 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 465 | 9 | 2 | 6 | 3.4 | COC1CN(CCCOc2ccc(cc2)F)CCC1NC(=O)c1cc(Cl)c(cc1OC)N | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2135460 | 216055 | 55 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | None | None | None | NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1038/s41467-023-40064-9 | |||||
| 1890 | 9535 | 49 | None | - | 16 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | |||
| 4449 | 9535 | 49 | None | - | 16 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | |||
| 7247 | 9535 | 49 | None | - | 16 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL623 | 9535 | 49 | None | - | 16 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | |||
| DB01149 | 9535 | 49 | None | - | 16 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | |||
| 5077 | 10351 | 79 | None | - | 4 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| 7552 | 10351 | 79 | None | - | 4 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| 9913767 | 10351 | 79 | None | - | 4 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL238804 | 10351 | 79 | None | - | 4 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| DB11362 | 10351 | 79 | None | - | 4 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| 134 | 9292 | 24 | None | - | 67 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | |||
| 1775 | 9292 | 24 | None | - | 67 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | |||
| 9681 | 9292 | 24 | None | - | 67 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1065 | 9292 | 24 | None | - | 67 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | |||
| DB00247 | 9292 | 24 | None | - | 67 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | 10.1038/s41467-023-40064-9 | |||
| 15951529 | 13200 | 121 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 464 | 3 | 1 | 4 | 4.0 | CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1082407 | 13200 | 121 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 464 | 3 | 1 | 4 | 4.0 | CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F | 10.1038/s41467-023-40064-9 | |||
| 30323 | 69259 | 57 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1563 | 69259 | 57 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL178 | 69259 | 57 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 527 | 4 | 5 | 11 | 1.0 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 10.1038/s41467-023-40064-9 | |||
| 71771 | 214132 | 92 | None | - | 0 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 353 | 6 | 2 | 4 | 3.9 | O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL93645 | 214132 | 92 | None | - | 0 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 353 | 6 | 2 | 4 | 3.9 | O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl | 10.1038/s41467-023-40064-9 | |||
| 2449 | 211009 | 94 | None | - | 0 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 354 | 8 | 1 | 3 | 4.6 | CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL70972 | 211009 | 94 | None | - | 0 | Human | 5.6 | pAC50 | = | 5.6 | Binding | ChEMBL | 354 | 8 | 1 | 3 | 4.6 | CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O | 10.1038/s41467-023-40064-9 | |||
| 1549120 | 203265 | 85 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 319 | 4 | 1 | 4 | 2.9 | CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL56337 | 203265 | 85 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 319 | 4 | 1 | 4 | 2.9 | CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 4495 | 203314 | 92 | None | - | 29 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL56367 | 203314 | 92 | None | - | 29 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 5852 | 9395 | 55 | None | - | 4 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| 9931891 | 9395 | 55 | None | - | 4 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL239226 | 9395 | 55 | None | - | 4 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| 5482 | 21192 | 80 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 386 | 6 | 0 | 4 | 5.9 | Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1200438 | 21192 | 80 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 386 | 6 | 0 | 4 | 5.9 | Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
| 53276 | 101809 | 53 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 304 | 5 | 3 | 5 | 3.0 | CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N | 10.1038/s41467-023-40064-9 | |||
| CHEMBL255044 | 101809 | 53 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 304 | 5 | 3 | 5 | 3.0 | CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N | 10.1038/s41467-023-40064-9 | |||
| 71398 | 113216 | 44 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 302 | 5 | 4 | 4 | 3.6 | C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL313972 | 113216 | 44 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 302 | 5 | 4 | 4 | 3.6 | C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1 | 10.1038/s41467-023-40064-9 | |||
| 2333 | 149113 | 97 | None | - | 2 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL388590 | 149113 | 97 | None | - | 2 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 422 | 3 | 1 | 3 | 5.5 | CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 | 10.1038/s41467-023-40064-9 | |||
| 135398745 | 9688 | 112 | None | -512 | 65 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 47 | 9688 | 112 | None | -512 | 65 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL715 | 9688 | 112 | None | -512 | 65 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
| DB00334 | 9688 | 112 | None | -512 | 65 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1038/s41467-023-40064-9 | |||
| 3760 | 57074 | 37 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1571863 | 57074 | 37 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1 | 10.1038/s41467-023-40064-9 | |||
| 3401 | 85058 | 80 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 346 | 4 | 0 | 2 | 5.0 | Fc1ccc(C(c2ccccc2)(c2ccccc2F)n2ccnc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2107430 | 85058 | 80 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 346 | 4 | 0 | 2 | 5.0 | Fc1ccc(C(c2ccccc2)(c2ccccc2F)n2ccnc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 123879 | 10060 | 82 | None | 3 | 4 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1038/s41467-023-40064-9 | |||
| 1910 | 10060 | 82 | None | 3 | 4 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1038/s41467-023-40064-9 | |||
| 1911 | 10060 | 82 | None | 3 | 4 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1038/s41467-023-40064-9 | |||
| 2354 | 10060 | 82 | None | 3 | 4 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1038/s41467-023-40064-9 | |||
| CHEMBL361812 | 10060 | 82 | None | 3 | 4 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1038/s41467-023-40064-9 | |||
| DB13036 | 10060 | 82 | None | 3 | 4 | Human | 7.5 | pAC50 | = | 7.5 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1038/s41467-023-40064-9 | |||
| 3686 | 101442 | 108 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 338 | 12 | 1 | 5 | 3.5 | COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL252556 | 101442 | 108 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 338 | 12 | 1 | 5 | 3.5 | COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O | 10.1038/s41467-023-40064-9 | |||
| 2132 | 52998 | 91 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 376 | 3 | 3 | 3 | 3.2 | Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1514634 | 52998 | 91 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 376 | 3 | 3 | 3 | 3.2 | Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL153479 | 52998 | 91 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 376 | 3 | 3 | 3 | 3.2 | Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1 | 10.1038/s41467-023-40064-9 | |||
| 5472 | 212597 | 75 | None | - | 3 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1717 | 212597 | 75 | None | - | 3 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL833 | 212597 | 75 | None | - | 3 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
| 3883 | 190314 | 112 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.5 | Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL480 | 190314 | 112 | None | - | 0 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.5 | Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1 | 10.1038/s41467-023-40064-9 | |||
| 4494 | 196966 | 87 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 385 | 5 | 1 | 8 | 2.5 | COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL517427 | 196966 | 87 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 385 | 5 | 1 | 8 | 2.5 | COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| 1883 | 9856 | 75 | None | -380 | 24 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1038/s41467-023-40064-9 | |||
| 1916 | 9856 | 75 | None | -380 | 24 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1038/s41467-023-40064-9 | |||
| 5280360 | 9856 | 75 | None | -380 | 24 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1038/s41467-023-40064-9 | |||
| 913 | 9856 | 75 | None | -380 | 24 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL548 | 9856 | 75 | None | -380 | 24 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1038/s41467-023-40064-9 | |||
| DB00917 | 9856 | 75 | None | -380 | 24 | Human | 5.5 | pAC50 | = | 5.5 | Binding | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10.1038/s41467-023-40064-9 | |||
| 3356 | 9060 | 73 | None | -38 | 8 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1038/s41467-023-40064-9 | |||
| 4326 | 9060 | 73 | None | -38 | 8 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1038/s41467-023-40064-9 | |||
| 9867642 | 9060 | 73 | None | -38 | 8 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1038/s41467-023-40064-9 | |||
| CHEMBL426559 | 9060 | 73 | None | -38 | 8 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1038/s41467-023-40064-9 | |||
| DB11629 | 9060 | 73 | None | -38 | 8 | Human | 6.4 | pAC50 | = | 6.4 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1038/s41467-023-40064-9 | |||
| 41684 | 37995 | 105 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1401 | 37995 | 105 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | |||
| 28230148 | 212510 | 97 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 320 | 3 | 2 | 6 | 0.7 | CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21 | 10.1038/s41467-023-40064-9 | |||
| 3229 | 212510 | 97 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 320 | 3 | 2 | 6 | 0.7 | CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL826 | 212510 | 97 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 320 | 3 | 2 | 6 | 0.7 | CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21 | 10.1038/s41467-023-40064-9 | |||
| 135409453 | 10545 | 41 | None | - | 2 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
| 226 | 10545 | 41 | None | - | 2 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
| CHEMBL76370 | 10545 | 41 | None | - | 2 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
| 24821094 | 73868 | 93 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 440 | 5 | 1 | 7 | 4.2 | C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1873475 | 73868 | 93 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 440 | 5 | 1 | 7 | 4.2 | C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | 10.1038/s41467-023-40064-9 | |||
| 3333 | 46942 | 111 | None | - | 1 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 383 | 4 | 1 | 5 | 4.0 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1480 | 46942 | 111 | None | - | 1 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 383 | 4 | 1 | 5 | 4.0 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl | 10.1038/s41467-023-40064-9 | |||
| 6450551 | 25983 | 106 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 386 | 5 | 2 | 4 | 4.6 | CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1289926 | 25983 | 106 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 386 | 5 | 2 | 4 | 4.6 | CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 | 10.1038/s41467-023-40064-9 | |||
| 5329102 | 201505 | 86 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL535 | 201505 | 86 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | |||
| 44306573 | 169936 | 0 | None | - | 0 | Rat | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 380 | 12 | 2 | 5 | 4.2 | CCCCCC(O)/C=C/[C@H]1[C@H]2C[C@H](OC(=O)O2)[C@@H]1C/C=C\CCCC(=O)O | 10.1016/S0960-894X(01)80110-4 | |||
| CHEMBL417967 | 169936 | 0 | None | - | 0 | Rat | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 380 | 12 | 2 | 5 | 4.2 | CCCCCC(O)/C=C/[C@H]1[C@H]2C[C@H](OC(=O)O2)[C@@H]1C/C=C\CCCC(=O)O | 10.1016/S0960-894X(01)80110-4 | |||
| 15289204 | 209869 | 0 | None | - | 0 | Rat | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 366 | 12 | 2 | 5 | 4.1 | CCCCCC(O)/C=C/[C@H]1[C@H]2C[C@H](OC(=O)O2)[C@@H]1C/C=C\CCCCO | 10.1016/S0960-894X(01)80110-4 | |||
| CHEMBL63892 | 209869 | 0 | None | - | 0 | Rat | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 366 | 12 | 2 | 5 | 4.1 | CCCCCC(O)/C=C/[C@H]1[C@H]2C[C@H](OC(=O)O2)[C@@H]1C/C=C\CCCCO | 10.1016/S0960-894X(01)80110-4 | |||
| 44306573 | 169936 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 380 | 12 | 2 | 5 | 4.2 | CCCCCC(O)/C=C/[C@H]1[C@H]2C[C@H](OC(=O)O2)[C@@H]1C/C=C\CCCC(=O)O | 10.1016/S0960-894X(01)80110-4 | |||
| CHEMBL417967 | 169936 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 380 | 12 | 2 | 5 | 4.2 | CCCCCC(O)/C=C/[C@H]1[C@H]2C[C@H](OC(=O)O2)[C@@H]1C/C=C\CCCC(=O)O | 10.1016/S0960-894X(01)80110-4 | |||
| 44306604 | 176093 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 379 | 12 | 2 | 5 | 3.6 | CCCCCC(O)/C=C/[C@H]1[C@H]2C[C@H](OC(=O)O2)[C@@H]1C/C=C\CCCC(N)=O | 10.1016/S0960-894X(01)80110-4 | |||
| CHEMBL441620 | 176093 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 379 | 12 | 2 | 5 | 3.6 | CCCCCC(O)/C=C/[C@H]1[C@H]2C[C@H](OC(=O)O2)[C@@H]1C/C=C\CCCC(N)=O | 10.1016/S0960-894X(01)80110-4 | |||
| 44306912 | 109132 | 0 | None | - | 0 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 421 | 13 | 2 | 5 | 4.7 | CCCCCC(O)/C=C/[C@H]1[C@H]2C[C@H](OC(=O)O2)[C@@H]1C/C=C\CCCC(=O)NC(C)C | 10.1016/S0960-894X(01)80110-4 | |||
| CHEMBL303777 | 109132 | 0 | None | - | 0 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 421 | 13 | 2 | 5 | 4.7 | CCCCCC(O)/C=C/[C@H]1[C@H]2C[C@H](OC(=O)O2)[C@@H]1C/C=C\CCCC(=O)NC(C)C | 10.1016/S0960-894X(01)80110-4 | |||
| 44306604 | 176093 | 0 | None | - | 0 | Rat | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 379 | 12 | 2 | 5 | 3.6 | CCCCCC(O)/C=C/[C@H]1[C@H]2C[C@H](OC(=O)O2)[C@@H]1C/C=C\CCCC(N)=O | 10.1016/S0960-894X(01)80110-4 | |||
| CHEMBL441620 | 176093 | 0 | None | - | 0 | Rat | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 379 | 12 | 2 | 5 | 3.6 | CCCCCC(O)/C=C/[C@H]1[C@H]2C[C@H](OC(=O)O2)[C@@H]1C/C=C\CCCC(N)=O | 10.1016/S0960-894X(01)80110-4 | |||
| 10717385 | 175291 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 427 | 9 | 2 | 3 | 4.7 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)[C@H]2CC[C@@H]1C2 | 10.1021/jm970343g | |||
| CHEMBL435382 | 175291 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 427 | 9 | 2 | 3 | 4.7 | O=C(O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)[C@H]2CC[C@@H]1C2 | 10.1021/jm970343g | |||
| 11647396 | 84557 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 418 | 5 | 2 | 6 | 3.5 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)N2CCCCC2)cc1 | 10.1021/jm060108a | |||
| CHEMBL209168 | 84557 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 418 | 5 | 2 | 6 | 3.5 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)N2CCCCC2)cc1 | 10.1021/jm060108a | |||
| 11661725 | 84634 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 420 | 5 | 3 | 6 | 3.7 | Cc1cccc(C)c1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1021/jm060108a | |||
| CHEMBL209306 | 84634 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 420 | 5 | 3 | 6 | 3.7 | Cc1cccc(C)c1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1021/jm060108a | |||
| 11656254 | 84552 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 498 | 9 | 3 | 6 | 4.6 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(Br)c(C)c1 | 10.1021/jm060108a | |||
| CHEMBL209134 | 84552 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 498 | 9 | 3 | 6 | 4.6 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(Br)c(C)c1 | 10.1021/jm060108a | |||
| 11502680 | 105016 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 421 | 9 | 2 | 6 | 3.9 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | |||
| CHEMBL274415 | 105016 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 421 | 9 | 2 | 6 | 3.9 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | |||
| 11647396 | 84557 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 418 | 5 | 2 | 6 | 3.5 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)N2CCCCC2)cc1 | 10.1021/jm060108a | |||
| CHEMBL209168 | 84557 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 418 | 5 | 2 | 6 | 3.5 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)N2CCCCC2)cc1 | 10.1021/jm060108a | |||
| 11531590 | 84668 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 407 | 8 | 2 | 6 | 3.5 | CCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | |||
| CHEMBL209406 | 84668 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 407 | 8 | 2 | 6 | 3.5 | CCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | |||
| 11662021 | 146331 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 434 | 9 | 3 | 6 | 4.1 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cc(C)cc(C)c1 | 10.1021/jm060108a | |||
| CHEMBL379659 | 146331 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 434 | 9 | 3 | 6 | 4.1 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cc(C)cc(C)c1 | 10.1021/jm060108a | |||
| 11604299 | 146360 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 426 | 10 | 3 | 6 | 3.9 | CCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 | 10.1021/jm060108a | |||
| CHEMBL379736 | 146360 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 426 | 10 | 3 | 6 | 3.9 | CCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 | 10.1021/jm060108a | |||
| 11704760 | 84386 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 435 | 10 | 2 | 6 | 4.3 | CCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | |||
| CHEMBL208818 | 84386 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 435 | 10 | 2 | 6 | 4.3 | CCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | |||
| 11531590 | 84668 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 407 | 8 | 2 | 6 | 3.5 | CCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | |||
| CHEMBL209406 | 84668 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 407 | 8 | 2 | 6 | 3.5 | CCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | |||
| 11633215 | 146933 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 423 | 5 | 2 | 6 | 3.8 | Cc1ccc(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | |||
| CHEMBL380274 | 146933 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 423 | 5 | 2 | 6 | 3.8 | Cc1ccc(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | |||
| 5312142 | 85008 | 11 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 406 | 5 | 3 | 6 | 3.4 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | |||
| CHEMBL210602 | 85008 | 11 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 406 | 5 | 3 | 6 | 3.4 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | |||
| 11661725 | 84634 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 420 | 5 | 3 | 6 | 3.7 | Cc1cccc(C)c1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1021/jm060108a | |||
| CHEMBL209306 | 84634 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 420 | 5 | 3 | 6 | 3.7 | Cc1cccc(C)c1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)(C)C | 10.1021/jm060108a | |||
| 11683470 | 84138 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 433 | 6 | 2 | 6 | 4.0 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC2CCCCC2)cc1 | 10.1021/jm060108a | |||
| CHEMBL208543 | 84138 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 433 | 6 | 2 | 6 | 4.0 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC2CCCCC2)cc1 | 10.1021/jm060108a | |||
| 11510008 | 84057 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 420 | 9 | 3 | 6 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(C)c1 | 10.1021/jm060108a | |||
| CHEMBL208115 | 84057 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 420 | 9 | 3 | 6 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(C)c1 | 10.1021/jm060108a | |||
| 5312142 | 85008 | 11 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 406 | 5 | 3 | 6 | 3.4 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | |||
| CHEMBL210602 | 85008 | 11 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 406 | 5 | 3 | 6 | 3.4 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | |||
| 11604299 | 146360 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 426 | 10 | 3 | 6 | 3.9 | CCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 | 10.1021/jm060108a | |||
| CHEMBL379736 | 146360 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 426 | 10 | 3 | 6 | 3.9 | CCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 | 10.1021/jm060108a | |||
| 11662021 | 146331 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 9 | 3 | 6 | 4.1 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cc(C)cc(C)c1 | 10.1021/jm060108a | |||
| CHEMBL379659 | 146331 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 9 | 3 | 6 | 4.1 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cc(C)cc(C)c1 | 10.1021/jm060108a | |||
| 9866368 | 211414 | 33 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 412 | 9 | 3 | 6 | 3.5 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 | 10.1016/s0960-894x(01)00114-7 | |||
| CHEMBL7353 | 211414 | 33 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 412 | 9 | 3 | 6 | 3.5 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 | 10.1016/s0960-894x(01)00114-7 | |||
| 11568384 | 84571 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 440 | 7 | 3 | 6 | 3.8 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NCc2ccccc2)cc1 | 10.1021/jm060108a | |||
| CHEMBL209245 | 84571 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 440 | 7 | 3 | 6 | 3.8 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NCc2ccccc2)cc1 | 10.1021/jm060108a | |||
| 11567679 | 84523 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 407 | 5 | 2 | 6 | 3.5 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | |||
| CHEMBL209035 | 84523 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 407 | 5 | 2 | 6 | 3.5 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | |||
| 11568248 | 145433 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 434 | 9 | 3 | 6 | 4.1 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1c(C)cccc1C | 10.1021/jm060108a | |||
| CHEMBL377679 | 145433 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 434 | 9 | 3 | 6 | 4.1 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1c(C)cccc1C | 10.1021/jm060108a | |||
| 11683470 | 84138 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 433 | 6 | 2 | 6 | 4.0 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC2CCCCC2)cc1 | 10.1021/jm060108a | |||
| CHEMBL208543 | 84138 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 433 | 6 | 2 | 6 | 4.0 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC2CCCCC2)cc1 | 10.1021/jm060108a | |||
| 11568248 | 145433 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 434 | 9 | 3 | 6 | 4.1 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1c(C)cccc1C | 10.1021/jm060108a | |||
| CHEMBL377679 | 145433 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 434 | 9 | 3 | 6 | 4.1 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1c(C)cccc1C | 10.1021/jm060108a | |||
| 11704760 | 84386 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 435 | 10 | 2 | 6 | 4.3 | CCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | |||
| CHEMBL208818 | 84386 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 435 | 10 | 2 | 6 | 4.3 | CCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | |||
| 11633215 | 146933 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 423 | 5 | 2 | 6 | 3.8 | Cc1ccc(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | |||
| CHEMBL380274 | 146933 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 423 | 5 | 2 | 6 | 3.8 | Cc1ccc(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | |||
| 11567679 | 84523 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 407 | 5 | 2 | 6 | 3.5 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | |||
| CHEMBL209035 | 84523 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 407 | 5 | 2 | 6 | 3.5 | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1 | 10.1021/jm060108a | |||
| 11656254 | 84552 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 498 | 9 | 3 | 6 | 4.6 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(Br)c(C)c1 | 10.1021/jm060108a | |||
| CHEMBL209134 | 84552 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 498 | 9 | 3 | 6 | 4.6 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(Br)c(C)c1 | 10.1021/jm060108a | |||
| 11568384 | 84571 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 440 | 7 | 3 | 6 | 3.8 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NCc2ccccc2)cc1 | 10.1021/jm060108a | |||
| CHEMBL209245 | 84571 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 440 | 7 | 3 | 6 | 3.8 | Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NCc2ccccc2)cc1 | 10.1021/jm060108a | |||
| 44350662 | 24783 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 518 | 9 | 2 | 4 | 5.5 | O=C(O)c1cccc(/C=C(\c2ccc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc2)c2cccnc2)c1 | 10.1021/jm00027a004 | |||
| CHEMBL126334 | 24783 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 518 | 9 | 2 | 4 | 5.5 | O=C(O)c1cccc(/C=C(\c2ccc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc2)c2cccnc2)c1 | 10.1021/jm00027a004 | |||
| 10386455 | 118051 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 403 | 11 | 1 | 5 | 4.5 | O=C(O)/C=C/CCCO/N=C(\c1ccccc1)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL326521 | 118051 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 403 | 11 | 1 | 5 | 4.5 | O=C(O)/C=C/CCCO/N=C(\c1ccccc1)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 10669025 | 211835 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 405 | 7 | 3 | 4 | 4.4 | CC(C)(C)/N=C(\NC#N)Nc1cccc(/C(=C/CCCC(=O)O)c2cccnc2)c1 | 10.1016/s0960-894x(01)00114-7 | |||
| CHEMBL7718 | 211835 | 1 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 405 | 7 | 3 | 4 | 4.4 | CC(C)(C)/N=C(\NC#N)Nc1cccc(/C(=C/CCCC(=O)O)c2cccnc2)c1 | 10.1016/s0960-894x(01)00114-7 | |||
| 54592351 | 84034 | 5 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 371 | 4 | 1 | 2 | 5.4 | O=C(O)C[C@@H]1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21 | 10.1021/jm00108a042 | |||
| CHEMBL2079673 | 84034 | 5 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 371 | 4 | 1 | 2 | 5.4 | O=C(O)C[C@@H]1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21 | 10.1021/jm00108a042 | |||
| 9983481 | 25727 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 500 | 11 | 2 | 4 | 4.2 | O=C(O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc[n+]([O-])c1 | 10.1021/jm00027a004 | |||
| CHEMBL128678 | 25727 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 500 | 11 | 2 | 4 | 4.2 | O=C(O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc[n+]([O-])c1 | 10.1021/jm00027a004 | |||
| 10002804 | 168723 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 430 | 13 | 2 | 4 | 4.0 | CCCCS(=O)(=O)NCCc1ccc(/C(=C\CCCC(=O)O)c2cccnc2)cc1 | 10.1021/jm00027a004 | |||
| CHEMBL415519 | 168723 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 430 | 13 | 2 | 4 | 4.0 | CCCCS(=O)(=O)NCCc1ccc(/C(=C\CCCC(=O)O)c2cccnc2)cc1 | 10.1021/jm00027a004 | |||
| 10623568 | 212107 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 453 | 10 | 2 | 3 | 5.2 | O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm970343g | |||
| CHEMBL79511 | 212107 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 453 | 10 | 2 | 3 | 5.2 | O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 | 10.1021/jm970343g | |||
| 44159772 | 75167 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 535 | 9 | 1 | 4 | 6.8 | CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)ccc1OC)C(=O)OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.01.024 | |||
| CHEMBL1916708 | 75167 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 535 | 9 | 1 | 4 | 6.8 | CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)ccc1OC)C(=O)OCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.01.024 | |||
| 9865257 | 22356 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 391 | 11 | 1 | 5 | 4.3 | O=C(O)CCCCO/N=C(/c1ccccc1)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL122123 | 22356 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 391 | 11 | 1 | 5 | 4.3 | O=C(O)CCCCO/N=C(/c1ccccc1)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 10458951 | 24751 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 508 | 11 | 2 | 6 | 4.2 | O=S(=O)(NCCc1ccc(/C(=C\CCCc2nnn[nH]2)c2cccnc2)cc1)c1ccc(Cl)cc1 | 10.1021/jm00027a004 | |||
| CHEMBL126185 | 24751 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 508 | 11 | 2 | 6 | 4.2 | O=S(=O)(NCCc1ccc(/C(=C\CCCc2nnn[nH]2)c2cccnc2)cc1)c1ccc(Cl)cc1 | 10.1021/jm00027a004 | |||
| 10028328 | 25285 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 484 | 11 | 2 | 4 | 4.9 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/jm00027a004 | |||
| CHEMBL127380 | 25285 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 484 | 11 | 2 | 4 | 4.9 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/jm00027a004 | |||
| 11753841 | 124850 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 456 | 9 | 2 | 4 | 4.2 | O=C(O)C/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL340504 | 124850 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 456 | 9 | 2 | 4 | 4.2 | O=C(O)C/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 10460371 | 26179 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 556 | 14 | 2 | 5 | 5.1 | O=C(O)CCC/C=C(\c1ccc(CCN(CCC(=O)O)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL129365 | 26179 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 556 | 14 | 2 | 5 | 5.1 | O=C(O)CCC/C=C(\c1ccc(CCN(CCC(=O)O)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 10340286 | 21283 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 389 | 10 | 1 | 5 | 4.1 | O=C(O)/C=C/CCO/N=C(\c1ccccc1)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL120165 | 21283 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 389 | 10 | 1 | 5 | 4.1 | O=C(O)/C=C/CCO/N=C(\c1ccccc1)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 10047870 | 24841 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 422 | 8 | 2 | 4 | 3.4 | Cc1ccc(S(=O)(=O)NCCc2ccc(/C(=C\C(=O)O)c3cccnc3)cc2)cc1 | 10.1021/jm00027a004 | |||
| CHEMBL126654 | 24841 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 422 | 8 | 2 | 4 | 3.4 | Cc1ccc(S(=O)(=O)NCCc2ccc(/C(=C\C(=O)O)c3cccnc3)cc2)cc1 | 10.1021/jm00027a004 | |||
| 10320386 | 123669 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 428 | 11 | 2 | 3 | 4.7 | O=C(O)CCC/C=C(\c1ccc(CCNC(=O)Cc2ccccc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL338334 | 123669 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 428 | 11 | 2 | 3 | 4.7 | O=C(O)CCC/C=C(\c1ccc(CCNC(=O)Cc2ccccc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 10767455 | 112587 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 492 | 10 | 3 | 3 | 5.7 | O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2cc(-c3ccccc3)[nH]c2c1 | 10.1021/jm970343g | |||
| CHEMBL312697 | 112587 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 492 | 10 | 3 | 3 | 5.7 | O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2cc(-c3ccccc3)[nH]c2c1 | 10.1021/jm970343g | |||
| 10448061 | 21756 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 309 | 13 | 1 | 5 | 3.5 | CCCCCC/C(Cn1ccnc1)=N/OCCCCC(=O)O | 10.1021/jm00047a016 | |||
| CHEMBL120904 | 21756 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 309 | 13 | 1 | 5 | 3.5 | CCCCCC/C(Cn1ccnc1)=N/OCCCCC(=O)O | 10.1021/jm00047a016 | |||
| 10369102 | 24828 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 510 | 9 | 2 | 4 | 5.3 | O=C(O)CCC/C=C(/c1cccnc1)c1ccc2c(c1)CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1021/jm00027a004 | |||
| CHEMBL126577 | 24828 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 510 | 9 | 2 | 4 | 5.3 | O=C(O)CCC/C=C(/c1cccnc1)c1ccc2c(c1)CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2 | 10.1021/jm00027a004 | |||
| 44350670 | 24782 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 518 | 9 | 2 | 4 | 5.5 | O=C(O)c1ccc(/C=C(\c2ccc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc2)c2cccnc2)cc1 | 10.1021/jm00027a004 | |||
| CHEMBL126333 | 24782 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 518 | 9 | 2 | 4 | 5.5 | O=C(O)c1ccc(/C=C(\c2ccc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc2)c2cccnc2)cc1 | 10.1021/jm00027a004 | |||
| 18944131 | 93970 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 484 | 10 | 2 | 6 | 4.0 | O=C(O)CCc1ccccc1CC1OCOC1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80330-3 | |||
| CHEMBL23273 | 93970 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 484 | 10 | 2 | 6 | 4.0 | O=C(O)CCc1ccccc1CC1OCOC1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80330-3 | |||
| 10251833 | 21972 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 425 | 12 | 0 | 6 | 5.4 | CCOC(=O)CCCCO/N=C(\C1CCCCC1)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL121043 | 21972 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 425 | 12 | 0 | 6 | 5.4 | CCOC(=O)CCCCO/N=C(\C1CCCCC1)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 10696132 | 174903 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 481 | 11 | 2 | 5 | 6.0 | O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 | 10.1021/jm970343g | |||
| CHEMBL432935 | 174903 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 481 | 11 | 2 | 5 | 6.0 | O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 | 10.1021/jm970343g | |||
| 10648014 | 212078 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 469 | 11 | 2 | 4 | 5.4 | O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 | 10.1021/jm970343g | |||
| CHEMBL79260 | 212078 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 469 | 11 | 2 | 4 | 5.4 | O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 | 10.1021/jm970343g | |||
| 44537923 | 145964 | 7 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 457 | 6 | 2 | 8 | 1.4 | O=C(NCc1cc(Cl)ccc1-n1cnnn1)[C@@H]1CC=NN1C(=O)[C@H](O)c1ccc(F)cc1 | 10.1039/C5MD00479A | |||
| CHEMBL3787587 | 145964 | 7 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 457 | 6 | 2 | 8 | 1.4 | O=C(NCc1cc(Cl)ccc1-n1cnnn1)[C@@H]1CC=NN1C(=O)[C@H](O)c1ccc(F)cc1 | 10.1039/C5MD00479A | |||
| 123879 | 10060 | 82 | None | 3 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1016/j.bmcl.2009.06.085 | |||
| 1910 | 10060 | 82 | None | 3 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1016/j.bmcl.2009.06.085 | |||
| 1911 | 10060 | 82 | None | 3 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1016/j.bmcl.2009.06.085 | |||
| 2354 | 10060 | 82 | None | 3 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1016/j.bmcl.2009.06.085 | |||
| CHEMBL361812 | 10060 | 82 | None | 3 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1016/j.bmcl.2009.06.085 | |||
| DB13036 | 10060 | 82 | None | 3 | 4 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1016/j.bmcl.2009.06.085 | |||
| 10341794 | 21299 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 415 | 11 | 1 | 5 | 5.0 | O=C(O)CCCCO/N=C(/C1CCCCC1)C(Cc1cccc(F)c1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL120207 | 21299 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 415 | 11 | 1 | 5 | 5.0 | O=C(O)CCCCO/N=C(/C1CCCCC1)C(Cc1cccc(F)c1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 15616468 | 211049 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 372 | 8 | 1 | 3 | 4.7 | CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccc(F)cc2)=C(C)C1=O | 10.1021/jm00090a009 | |||
| CHEMBL71222 | 211049 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 372 | 8 | 1 | 3 | 4.7 | CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccc(F)cc2)=C(C)C1=O | 10.1021/jm00090a009 | |||
| 10402603 | 22216 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 301 | 9 | 1 | 5 | 2.6 | O=C(O)CCCCO/N=C(\Cn1ccnc1)c1ccccc1 | 10.1021/jm00047a016 | |||
| CHEMBL121507 | 22216 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 301 | 9 | 1 | 5 | 2.6 | O=C(O)CCCCO/N=C(\Cn1ccnc1)c1ccccc1 | 10.1021/jm00047a016 | |||
| 1986 | 8094 | 50 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 353 | 7 | 2 | 3 | 2.5 | OC(=O)Cc1ccc(cc1)CCNS(=O)(=O)c1ccc(cc1)Cl | 10.1021/jm00047a016 | |||
| 54343 | 8094 | 50 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 353 | 7 | 2 | 3 | 2.5 | OC(=O)Cc1ccc(cc1)CCNS(=O)(=O)c1ccc(cc1)Cl | 10.1021/jm00047a016 | |||
| CHEMBL71685 | 8094 | 50 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 353 | 7 | 2 | 3 | 2.5 | OC(=O)Cc1ccc(cc1)CCNS(=O)(=O)c1ccc(cc1)Cl | 10.1021/jm00047a016 | |||
| 10552450 | 212090 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 473 | 10 | 2 | 4 | 7.1 | CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3ccc(/N=N/c4ccccc4)cc3)[C@@H]1C2 | 10.1021/jm970343g | |||
| CHEMBL79360 | 212090 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 473 | 10 | 2 | 4 | 7.1 | CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3ccc(/N=N/c4ccccc4)cc3)[C@@H]1C2 | 10.1021/jm970343g | |||
| 54592351 | 84034 | 5 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 371 | 4 | 1 | 2 | 5.4 | O=C(O)C[C@@H]1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21 | 10.1021/jm00108a042 | |||
| CHEMBL2079673 | 84034 | 5 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 371 | 4 | 1 | 2 | 5.4 | O=C(O)C[C@@H]1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21 | 10.1021/jm00108a042 | |||
| 11545879 | 21678 | 3 | None | -125 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 381 | 6 | 1 | 3 | 5.8 | CC(C)COc1ccc(Cl)cc1-c1ccccc1-c1cccc(C(=O)O)n1 | 10.1016/j.bmcl.2008.11.032 | |||
| CHEMBL1207973 | 21678 | 3 | None | -125 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 381 | 6 | 1 | 3 | 5.8 | CC(C)COc1ccc(Cl)cc1-c1ccccc1-c1cccc(C(=O)O)n1 | 10.1016/j.bmcl.2008.11.032 | |||
| CHEMBL467510 | 21678 | 3 | None | -125 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 381 | 6 | 1 | 3 | 5.8 | CC(C)COc1ccc(Cl)cc1-c1ccccc1-c1cccc(C(=O)O)n1 | 10.1016/j.bmcl.2008.11.032 | |||
| 10431402 | 21314 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 405 | 12 | 1 | 5 | 4.7 | O=C(O)CCCCCO/N=C(\c1ccccc1)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL120284 | 21314 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 405 | 12 | 1 | 5 | 4.7 | O=C(O)CCCCCO/N=C(\c1ccccc1)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 10255332 | 26041 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 497 | 11 | 2 | 4 | 4.6 | CNC(=O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL129030 | 26041 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 497 | 11 | 2 | 4 | 4.6 | CNC(=O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 10430550 | 18567 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 391 | 11 | 1 | 5 | 4.3 | O=C(O)CCCCO/N=C(\c1ccccc1)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL118184 | 18567 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 391 | 11 | 1 | 5 | 4.3 | O=C(O)CCCCO/N=C(\c1ccccc1)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 10455115 | 21382 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 425 | 11 | 1 | 5 | 5.0 | O=C(O)CCCCO/N=C(/c1ccccc1)C(Cc1ccc(Cl)cc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL120496 | 21382 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 425 | 11 | 1 | 5 | 5.0 | O=C(O)CCCCO/N=C(/c1ccccc1)C(Cc1ccc(Cl)cc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 5362391 | 105872 | 25 | None | -1 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 366 | 8 | 1 | 4 | 4.1 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 | 10.1021/jm00027a004 | |||
| CHEMBL280728 | 105872 | 25 | None | -1 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 366 | 8 | 1 | 4 | 4.1 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 | 10.1021/jm00027a004 | |||
| 10671942 | 110993 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 467 | 9 | 2 | 4 | 5.5 | O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2oc3ccccc3c2c1 | 10.1021/jm970343g | |||
| CHEMBL309835 | 110993 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 467 | 9 | 2 | 4 | 5.5 | O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2oc3ccccc3c2c1 | 10.1021/jm970343g | |||
| 10074652 | 25002 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 498 | 12 | 2 | 4 | 5.3 | O=C(O)CCCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL127017 | 25002 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 498 | 12 | 2 | 4 | 5.3 | O=C(O)CCCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 6436053 | 105487 | 13 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 484 | 11 | 2 | 4 | 4.9 | O=C(O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL277689 | 105487 | 13 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 484 | 11 | 2 | 4 | 4.9 | O=C(O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 6436053 | 105487 | 13 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 484 | 11 | 2 | 4 | 4.9 | O=C(O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm058225d | |||
| CHEMBL277689 | 105487 | 13 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 484 | 11 | 2 | 4 | 4.9 | O=C(O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm058225d | |||
| 9930816 | 123759 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 399 | 11 | 1 | 7 | 3.7 | O=C(O)CCCCO/N=C(\C1CCCCC1)C(Cc1cnccn1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL338741 | 123759 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 399 | 11 | 1 | 7 | 3.7 | O=C(O)CCCCO/N=C(\C1CCCCC1)C(Cc1cnccn1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 10024132 | 19167 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 403 | 11 | 1 | 5 | 5.6 | O=C(O)CCCCO/N=C(\C1CCCCC1)C(CC1CCCCC1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL118568 | 19167 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 403 | 11 | 1 | 5 | 5.6 | O=C(O)CCCCO/N=C(\C1CCCCC1)C(CC1CCCCC1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 10018213 | 22057 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 309 | 13 | 1 | 5 | 3.5 | CCCCCC/C(Cn1ccnc1)=N\OCCCCC(=O)O | 10.1021/jm00047a016 | |||
| CHEMBL121306 | 22057 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 309 | 13 | 1 | 5 | 3.5 | CCCCCC/C(Cn1ccnc1)=N\OCCCCC(=O)O | 10.1021/jm00047a016 | |||
| 11697902 | 85126 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 440 | 11 | 3 | 6 | 4.3 | CCCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 | 10.1021/jm060108a | |||
| CHEMBL211008 | 85126 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 440 | 11 | 3 | 6 | 4.3 | CCCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 | 10.1021/jm060108a | |||
| 10007859 | 173268 | 0 | None | - | 2 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 554 | 7 | 2 | 4 | 6.7 | CC(=O)Nc1cc(C(=O)O)cc(-n2c(C)ccc2-c2cc(Br)ccc2OCc2ccc(F)cc2F)c1 | 10.1016/j.bmcl.2006.10.078 | |||
| CHEMBL427844 | 173268 | 0 | None | - | 2 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 554 | 7 | 2 | 4 | 6.7 | CC(=O)Nc1cc(C(=O)O)cc(-n2c(C)ccc2-c2cc(Br)ccc2OCc2ccc(F)cc2F)c1 | 10.1016/j.bmcl.2006.10.078 | |||
| 11502680 | 105016 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 421 | 9 | 2 | 6 | 3.9 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | |||
| CHEMBL274415 | 105016 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 421 | 9 | 2 | 6 | 3.9 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1 | 10.1021/jm060108a | |||
| 11676121 | 85097 | 4 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 420 | 9 | 3 | 6 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(C)cc1 | 10.1021/jm060108a | |||
| CHEMBL210964 | 85097 | 4 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 420 | 9 | 3 | 6 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(C)cc1 | 10.1021/jm060108a | |||
| 11697902 | 85126 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 440 | 11 | 3 | 6 | 4.3 | CCCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 | 10.1021/jm060108a | |||
| CHEMBL211008 | 85126 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 440 | 11 | 3 | 6 | 4.3 | CCCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 | 10.1021/jm060108a | |||
| 44310390 | 108921 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 368 | 9 | 2 | 3 | 5.3 | Cc1c(C)c(C=O)c(C)c(C(CCCCCC(=O)O)c2ccccc2)c1O | 10.1021/jm00090a009 | |||
| CHEMBL302514 | 108921 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 368 | 9 | 2 | 3 | 5.3 | Cc1c(C)c(C=O)c(C)c(C(CCCCCC(=O)O)c2ccccc2)c1O | 10.1021/jm00090a009 | |||
| 6366701 | 21189 | 7 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 415 | 11 | 1 | 5 | 5.0 | O=C(O)CCCCO/N=C(\C1CCCCC1)C(Cc1ccc(F)cc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL120041 | 21189 | 7 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 415 | 11 | 1 | 5 | 5.0 | O=C(O)CCCCO/N=C(\C1CCCCC1)C(Cc1ccc(F)cc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 44310394 | 210892 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 374 | 8 | 3 | 3 | 5.3 | Cc1c(C)c(O)c(C(CCCCCC(=O)O)c2ccc(F)cc2)c(C)c1O | 10.1021/jm00090a009 | |||
| CHEMBL70314 | 210892 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 374 | 8 | 3 | 3 | 5.3 | Cc1c(C)c(O)c(C(CCCCCC(=O)O)c2ccc(F)cc2)c(C)c1O | 10.1021/jm00090a009 | |||
| 10347272 | 25411 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 540 | 11 | 1 | 5 | 6.2 | CC(C)(C)OC(=O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL127682 | 25411 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 540 | 11 | 1 | 5 | 6.2 | CC(C)(C)OC(=O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 59179260 | 110661 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 362 | 4 | 2 | 6 | 3.9 | Nc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccccc1 | 10.1016/j.bmcl.2013.10.065 | |||
| CHEMBL3092130 | 110661 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 362 | 4 | 2 | 6 | 3.9 | Nc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccccc1 | 10.1016/j.bmcl.2013.10.065 | |||
| 1610 | 9126 | 95 | None | - | 4 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/acs.jmedchem.0c00262 | |||
| 3941 | 9126 | 95 | None | - | 4 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/acs.jmedchem.0c00262 | |||
| 3961 | 9126 | 95 | None | - | 4 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/acs.jmedchem.0c00262 | |||
| 590 | 9126 | 95 | None | - | 4 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/acs.jmedchem.0c00262 | |||
| CHEMBL191 | 9126 | 95 | None | - | 4 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/acs.jmedchem.0c00262 | |||
| DB00678 | 9126 | 95 | None | - | 4 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 422 | 8 | 2 | 6 | 4.3 | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl | 10.1021/acs.jmedchem.0c00262 | |||
| 44190762 | 183659 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 6.6 | Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C)C(=O)O)c1 | 10.1016/j.bmcl.2008.07.103 | |||
| CHEMBL461571 | 183659 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 6.6 | Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C)C(=O)O)c1 | 10.1016/j.bmcl.2008.07.103 | |||
| 10479865 | 25412 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 470 | 10 | 2 | 4 | 4.9 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/jm00027a004 | |||
| CHEMBL127683 | 25412 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 470 | 10 | 2 | 4 | 4.9 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(CNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/jm00027a004 | |||
| 10343670 | 25619 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 448 | 10 | 2 | 3 | 5.4 | O=C(O)CCC/C=C(\c1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL128104 | 25619 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 448 | 10 | 2 | 3 | 5.4 | O=C(O)CCC/C=C(\c1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 10345903 | 123880 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 500 | 13 | 2 | 4 | 5.4 | O=C(O)CCCCCC(c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL339335 | 123880 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 500 | 13 | 2 | 4 | 5.4 | O=C(O)CCCCCC(c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 10502508 | 20913 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 425 | 8 | 2 | 3 | 5.9 | CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3cccc4ccsc34)[C@@H]1C2 | 10.1021/jm970343g | |||
| CHEMBL119809 | 20913 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 425 | 8 | 2 | 3 | 5.9 | CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3cccc4ccsc34)[C@@H]1C2 | 10.1021/jm970343g | |||
| 5362391 | 105872 | 25 | None | -1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 366 | 8 | 1 | 4 | 4.1 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 | 10.1021/jm00047a016 | |||
| CHEMBL280728 | 105872 | 25 | None | -1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 366 | 8 | 1 | 4 | 4.1 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 | 10.1021/jm00047a016 | |||
| 10547489 | 170113 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 375 | 8 | 2 | 3 | 4.7 | CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3ccsc3)[C@@H]1C2 | 10.1021/jm970343g | |||
| CHEMBL419040 | 170113 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 375 | 8 | 2 | 3 | 4.7 | CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3ccsc3)[C@@H]1C2 | 10.1021/jm970343g | |||
| 10050347 | 22044 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 469 | 12 | 1 | 7 | 3.7 | CS(=O)(=O)c1ccc(/C(=N\OCCCCC(=O)O)C(Cc2ccccc2)n2ccnc2)cc1 | 10.1021/jm00047a016 | |||
| CHEMBL121289 | 22044 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 469 | 12 | 1 | 7 | 3.7 | CS(=O)(=O)c1ccc(/C(=N\OCCCCC(=O)O)C(Cc2ccccc2)n2ccnc2)cc1 | 10.1021/jm00047a016 | |||
| 11283 | 7373 | 10 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 10.1021/acs.jmedchem.0c00834 | |||
| 146368333 | 7373 | 10 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 10.1021/acs.jmedchem.0c00834 | |||
| CHEMBL4643852 | 7373 | 10 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 5.9 | OC(=O)CC[C@H](c1ccccc1Cl)CNC(=O)c1c(C)c(nc2c1cc(Br)cc2)N1CCCC1 | 10.1021/acs.jmedchem.0c00834 | |||
| 10457484 | 124177 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 471 | 11 | 2 | 5 | 3.8 | Cn1c(CCNS(=O)(=O)c2ccc(F)cc2)ccc1/C(=C\CCCC(=O)O)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL339812 | 124177 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 471 | 11 | 2 | 5 | 3.8 | Cn1c(CCNS(=O)(=O)c2ccc(F)cc2)ccc1/C(=C\CCCC(=O)O)c1cccnc1 | 10.1021/jm00027a004 | |||
| 10367685 | 21305 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 475 | 12 | 1 | 7 | 4.3 | CS(=O)(=O)c1ccc(CC(/C(=N/OCCCCC(=O)O)C2CCCCC2)n2ccnc2)cc1 | 10.1021/jm00047a016 | |||
| CHEMBL120249 | 21305 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 475 | 12 | 1 | 7 | 4.3 | CS(=O)(=O)c1ccc(CC(/C(=N/OCCCCC(=O)O)C2CCCCC2)n2ccnc2)cc1 | 10.1021/jm00047a016 | |||
| 10342027 | 23220 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 419 | 11 | 1 | 5 | 5.0 | CC(C)(CCO/N=C(\c1ccccc1)C(Cc1ccccc1)n1ccnc1)CC(=O)O | 10.1021/jm00047a016 | |||
| CHEMBL123307 | 23220 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 419 | 11 | 1 | 5 | 5.0 | CC(C)(CCO/N=C(\c1ccccc1)C(Cc1ccccc1)n1ccnc1)CC(=O)O | 10.1021/jm00047a016 | |||
| 44159530 | 75159 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 501 | 9 | 1 | 4 | 6.2 | CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)ccc1OC)C(=O)OCc1ccccc1 | 10.1016/j.bmcl.2011.01.024 | |||
| CHEMBL1916700 | 75159 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 501 | 9 | 1 | 4 | 6.2 | CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)ccc1OC)C(=O)OCc1ccccc1 | 10.1016/j.bmcl.2011.01.024 | |||
| 10087973 | 119616 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 329 | 10 | 1 | 5 | 3.3 | C/C(=N\OCCCCC(=O)O)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL330837 | 119616 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 329 | 10 | 1 | 5 | 3.3 | C/C(=N\OCCCCC(=O)O)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 10344641 | 22056 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 469 | 11 | 1 | 5 | 5.1 | O=C(O)CCCCO/N=C(\c1ccc(Br)cc1)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL121304 | 22056 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 469 | 11 | 1 | 5 | 5.1 | O=C(O)CCCCO/N=C(\c1ccc(Br)cc1)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 11723604 | 22061 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 321 | 10 | 1 | 5 | 3.5 | O=C(O)CCCCCO/N=C(\Cn1ccnc1)C1CCCCC1 | 10.1021/jm00047a016 | |||
| CHEMBL121314 | 22061 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 321 | 10 | 1 | 5 | 3.5 | O=C(O)CCCCCO/N=C(\Cn1ccnc1)C1CCCCC1 | 10.1021/jm00047a016 | |||
| 10529261 | 212551 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 495 | 9 | 2 | 4 | 6.1 | CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NS(=O)(=O)c3ccc4oc5ccccc5c4c3)[C@@H]1C2 | 10.1021/jm970343g | |||
| CHEMBL82896 | 212551 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 495 | 9 | 2 | 4 | 6.1 | CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NS(=O)(=O)c3ccc4oc5ccccc5c4c3)[C@@H]1C2 | 10.1021/jm970343g | |||
| 11755659 | 26178 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 498 | 11 | 1 | 4 | 5.3 | CN(CCc1ccc(/C(=C\CCCC(=O)O)c2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 | 10.1021/jm00027a004 | |||
| CHEMBL129355 | 26178 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 498 | 11 | 1 | 4 | 5.3 | CN(CCc1ccc(/C(=C\CCCC(=O)O)c2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 | 10.1021/jm00027a004 | |||
| 44333604 | 11349 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 337 | 13 | 2 | 3 | 4.0 | CCCCCCNC[C@H]1C2CC(CO2)[C@@H]1C/C=C\CCCC(=O)O | 10.1021/jm00094a017 | |||
| CHEMBL102584 | 11349 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 337 | 13 | 2 | 3 | 4.0 | CCCCCCNC[C@H]1C2CC(CO2)[C@@H]1C/C=C\CCCC(=O)O | 10.1021/jm00094a017 | |||
| 10590325 | 136454 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 300 | 3 | 3 | 5 | 2.4 | O=[N+]([O-])c1ccc(CC2NCCc3cc(O)c(O)cc32)cc1 | 10.1021/jm950896w | |||
| CHEMBL367394 | 136454 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 300 | 3 | 3 | 5 | 2.4 | O=[N+]([O-])c1ccc(CC2NCCc3cc(O)c(O)cc32)cc1 | 10.1021/jm950896w | |||
| 11755215 | 24814 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 487 | 11 | 2 | 6 | 3.5 | O=C(O)CCO/N=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL126494 | 24814 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 487 | 11 | 2 | 6 | 3.5 | O=C(O)CCO/N=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 10479578 | 25282 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 464 | 12 | 2 | 4 | 4.4 | O=C(O)CCC/C=C(\c1ccc(CCNS(=O)(=O)Cc2ccccc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL127357 | 25282 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 464 | 12 | 2 | 4 | 4.4 | O=C(O)CCC/C=C(\c1ccc(CCNS(=O)(=O)Cc2ccccc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 10072780 | 124067 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 456 | 9 | 2 | 4 | 5.2 | O=C(O)CCC/C=C(\c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL339568 | 124067 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 456 | 9 | 2 | 4 | 5.2 | O=C(O)CCC/C=C(\c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 10813802 | 20561 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 459 | 8 | 2 | 3 | 6.6 | CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3ccc4oc5ccccc5c4c3)[C@@H]1C2 | 10.1021/jm970343g | |||
| CHEMBL119550 | 20561 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 459 | 8 | 2 | 3 | 6.6 | CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3ccc4oc5ccccc5c4c3)[C@@H]1C2 | 10.1021/jm970343g | |||
| 10244703 | 22058 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 307 | 9 | 1 | 5 | 3.1 | O=C(O)CCCCO/N=C(/Cn1ccnc1)C1CCCCC1 | 10.1021/jm00047a016 | |||
| CHEMBL121307 | 22058 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 307 | 9 | 1 | 5 | 3.1 | O=C(O)CCCCO/N=C(/Cn1ccnc1)C1CCCCC1 | 10.1021/jm00047a016 | |||
| 10258317 | 24989 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 618 | 14 | 2 | 5 | 6.6 | O=C(O)CCC/C=C(\c1ccc(CCN(Cc2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL127008 | 24989 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 618 | 14 | 2 | 5 | 6.6 | O=C(O)CCC/C=C(\c1ccc(CCN(Cc2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 10075294 | 123674 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 518 | 11 | 2 | 4 | 5.3 | O=C(O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL338360 | 123674 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 518 | 11 | 2 | 4 | 5.3 | O=C(O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 10023102 | 21309 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 387 | 11 | 1 | 6 | 4.5 | O=C(O)CCCCO/N=C(\C1CCCCC1)C(Cc1ccco1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL120259 | 21309 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 387 | 11 | 1 | 6 | 4.5 | O=C(O)CCCCO/N=C(\C1CCCCC1)C(Cc1ccco1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 10552612 | 212495 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 477 | 9 | 2 | 3 | 5.0 | O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(C#Cc2ccccc2)cc1 | 10.1021/jm970343g | |||
| CHEMBL82489 | 212495 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 477 | 9 | 2 | 3 | 5.0 | O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(C#Cc2ccccc2)cc1 | 10.1021/jm970343g | |||
| 11676121 | 85097 | 4 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 420 | 9 | 3 | 6 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(C)cc1 | 10.1021/jm060108a | |||
| CHEMBL210964 | 85097 | 4 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 420 | 9 | 3 | 6 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(C)cc1 | 10.1021/jm060108a | |||
| 15125130 | 210610 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 386 | 9 | 2 | 3 | 5.4 | Cc1c(C)c(C(CCCCCC(=O)O)c2ccc(F)cc2)c(O)c(C)c1C=O | 10.1021/jm00090a009 | |||
| CHEMBL68512 | 210610 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 386 | 9 | 2 | 3 | 5.4 | Cc1c(C)c(C(CCCCCC(=O)O)c2ccc(F)cc2)c(O)c(C)c1C=O | 10.1021/jm00090a009 | |||
| 10251282 | 121208 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 415 | 11 | 1 | 5 | 5.0 | O=C(O)CCCCO/N=C(\C1CCCCC1)C(Cc1cccc(F)c1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL333237 | 121208 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 415 | 11 | 1 | 5 | 5.0 | O=C(O)CCCCO/N=C(\C1CCCCC1)C(Cc1cccc(F)c1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 10075114 | 25410 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 511 | 11 | 1 | 4 | 4.9 | CN(C)C(=O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL127681 | 25410 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 511 | 11 | 1 | 4 | 4.9 | CN(C)C(=O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 10454526 | 121207 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 415 | 11 | 1 | 5 | 5.0 | O=C(O)CCCCO/N=C(\C1CCCCC1)C(Cc1ccccc1F)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL333236 | 121207 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 415 | 11 | 1 | 5 | 5.0 | O=C(O)CCCCO/N=C(\C1CCCCC1)C(Cc1ccccc1F)n1ccnc1 | 10.1021/jm00047a016 | |||
| 11754856 | 25964 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 479 | 10 | 3 | 5 | 2.5 | Cc1ccc(S(=O)(=O)NCCc2ccc(/C(=C\C(=O)NCC(=O)O)c3cccnc3)cc2)cc1 | 10.1021/jm00027a004 | |||
| CHEMBL128973 | 25964 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 479 | 10 | 3 | 5 | 2.5 | Cc1ccc(S(=O)(=O)NCCc2ccc(/C(=C\C(=O)NCC(=O)O)c3cccnc3)cc2)cc1 | 10.1021/jm00027a004 | |||
| 10250339 | 21141 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 399 | 15 | 1 | 5 | 5.3 | CCCCCC/C(=N\OCCCCC(=O)O)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL120019 | 21141 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 399 | 15 | 1 | 5 | 5.3 | CCCCCC/C(=N\OCCCCC(=O)O)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 10483360 | 206007 | 28 | None | - | 4 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 580 | 12 | 3 | 6 | 5.8 | CCCCNC(=O)c1ccc(Oc2ccc(CC(=O)O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 | 10.1016/j.bmcl.2009.09.052 | |||
| CHEMBL589973 | 206007 | 28 | None | - | 4 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 580 | 12 | 3 | 6 | 5.8 | CCCCNC(=O)c1ccc(Oc2ccc(CC(=O)O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 | 10.1016/j.bmcl.2009.09.052 | |||
| 16219283 | 128051 | 6 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@H](O)/C=C/[C@H]1C2CC(CO2)[C@@H]1C/C=C\CCCC(=O)O | 10.1021/jm00129a030 | |||
| CHEMBL357834 | 128051 | 6 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@H](O)/C=C/[C@H]1C2CC(CO2)[C@@H]1C/C=C\CCCC(=O)O | 10.1021/jm00129a030 | |||
| 18944131 | 93970 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 10 | 2 | 6 | 4.0 | O=C(O)CCc1ccccc1CC1OCOC1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80330-3 | |||
| CHEMBL23273 | 93970 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 484 | 10 | 2 | 6 | 4.0 | O=C(O)CCc1ccccc1CC1OCOC1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80330-3 | |||
| 18944131 | 93970 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 484 | 10 | 2 | 6 | 4.0 | O=C(O)CCc1ccccc1CC1OCOC1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80330-3 | |||
| CHEMBL23273 | 93970 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 484 | 10 | 2 | 6 | 4.0 | O=C(O)CCc1ccccc1CC1OCOC1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80330-3 | |||
| 10594576 | 17783 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 358 | 8 | 3 | 2 | 4.0 | CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3ccc[nH]3)[C@@H]1C2 | 10.1021/jm970343g | |||
| CHEMBL117399 | 17783 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 358 | 8 | 3 | 2 | 4.0 | CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3ccc[nH]3)[C@@H]1C2 | 10.1021/jm970343g | |||
| 16222207 | 14417 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 434 | 6 | 1 | 3 | 5.4 | O=C(O)Cc1cnc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1cccc(F)c1 | 10.1016/j.bmcl.2010.01.092 | |||
| CHEMBL1088284 | 14417 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 434 | 6 | 1 | 3 | 5.4 | O=C(O)Cc1cnc(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1cccc(F)c1 | 10.1016/j.bmcl.2010.01.092 | |||
| 9978202 | 21303 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 398 | 11 | 1 | 6 | 4.3 | O=C(O)CCCCO/N=C(\C1CCCCC1)C(Cc1ccccn1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL120228 | 21303 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 398 | 11 | 1 | 6 | 4.3 | O=C(O)CCCCO/N=C(\C1CCCCC1)C(Cc1ccccn1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 10095993 | 26232 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 464 | 11 | 2 | 4 | 4.6 | Cc1ccc(S(=O)(=O)NCCc2ccc(/C(=C\CCCC(=O)O)c3cccnc3)cc2)cc1 | 10.1021/jm00027a004 | |||
| CHEMBL129734 | 26232 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 464 | 11 | 2 | 4 | 4.6 | Cc1ccc(S(=O)(=O)NCCc2ccc(/C(=C\CCCC(=O)O)c3cccnc3)cc2)cc1 | 10.1021/jm00027a004 | |||
| 10436457 | 26946 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 512 | 12 | 1 | 4 | 5.7 | CCN(CCc1ccc(/C(=C\CCCC(=O)O)c2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 | 10.1021/jm00027a004 | |||
| CHEMBL130470 | 26946 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 512 | 12 | 1 | 4 | 5.7 | CCN(CCc1ccc(/C(=C\CCCC(=O)O)c2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 | 10.1021/jm00027a004 | |||
| 9979675 | 123716 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 422 | 11 | 2 | 4 | 4.1 | O=C(O)CCC/C=C(\CCCNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL338546 | 123716 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 422 | 11 | 2 | 4 | 4.1 | O=C(O)CCC/C=C(\CCCNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 44210947 | 105892 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 498 | 10 | 2 | 6 | 4.2 | O=C(O)CCc1ccccc1CC1COCOC1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80330-3 | |||
| CHEMBL280890 | 105892 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 498 | 10 | 2 | 6 | 4.2 | O=C(O)CCc1ccccc1CC1COCOC1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80330-3 | |||
| 10052055 | 26224 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 510 | 13 | 2 | 6 | 4.3 | COc1ccc(S(=O)(=O)NCCc2ccc(/C(=C\CCCC(=O)O)c3cccnc3)cc2)cc1OC | 10.1021/jm00027a004 | |||
| CHEMBL129635 | 26224 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 510 | 13 | 2 | 6 | 4.3 | COc1ccc(S(=O)(=O)NCCc2ccc(/C(=C\CCCC(=O)O)c3cccnc3)cc2)cc1OC | 10.1021/jm00027a004 | |||
| 73354171 | 100029 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 387 | 10 | 4 | 4 | 3.3 | O=C(O)CCC/C=C\C[C@H]1[C@H]2CC[C@@H](O2)[C@H]1CNNC(=O)Nc1ccccc1 | 10.1021/jm00108a042 | |||
| CHEMBL2448578 | 100029 | 1 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 387 | 10 | 4 | 4 | 3.3 | O=C(O)CCC/C=C\C[C@H]1[C@H]2CC[C@@H](O2)[C@H]1CNNC(=O)Nc1ccccc1 | 10.1021/jm00108a042 | |||
| 10074653 | 24784 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 498 | 11 | 1 | 5 | 5.0 | COC(=O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL126337 | 24784 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 498 | 11 | 1 | 5 | 5.0 | COC(=O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 44364273 | 49001 | 8 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@H](O)/C=C/[C@H]1C2COC(C2)[C@@H]1C/C=C\CCCC(=O)O | 10.1021/jm8007618 | |||
| CHEMBL149724 | 49001 | 8 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@H](O)/C=C/[C@H]1C2COC(C2)[C@@H]1C/C=C\CCCC(=O)O | 10.1021/jm8007618 | |||
| 6537211 | 23898 | 6 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 484 | 11 | 2 | 4 | 4.9 | O=C(O)CCC/C=C(/c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL125519 | 23898 | 6 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 484 | 11 | 2 | 4 | 4.9 | O=C(O)CCC/C=C(/c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 10025456 | 120772 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 425 | 8 | 2 | 3 | 5.9 | CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3csc4ccccc34)[C@@H]1C2 | 10.1021/jm970343g | |||
| CHEMBL332635 | 120772 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 425 | 8 | 2 | 3 | 5.9 | CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3csc4ccccc34)[C@@H]1C2 | 10.1021/jm970343g | |||
| 15125138 | 170250 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 386 | 9 | 2 | 3 | 5.4 | Cc1c(C)c(C=O)c(C)c(C(CCCCCC(=O)O)c2ccc(F)cc2)c1O | 10.1021/jm00090a009 | |||
| CHEMBL420002 | 170250 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 386 | 9 | 2 | 3 | 5.4 | Cc1c(C)c(C=O)c(C)c(C(CCCCCC(=O)O)c2ccc(F)cc2)c1O | 10.1021/jm00090a009 | |||
| 11510008 | 84057 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 420 | 9 | 3 | 6 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(C)c1 | 10.1021/jm060108a | |||
| CHEMBL208115 | 84057 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 420 | 9 | 3 | 6 | 3.8 | CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(C)c1 | 10.1021/jm060108a | |||
| 10092922 | 18570 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 409 | 11 | 1 | 5 | 4.5 | O=C(O)CCCCO/N=C(\c1ccccc1)C(Cc1ccc(F)cc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL118188 | 18570 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 409 | 11 | 1 | 5 | 4.5 | O=C(O)CCCCO/N=C(\c1ccccc1)C(Cc1ccc(F)cc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 10365109 | 124236 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 425 | 11 | 1 | 5 | 5.0 | O=C(O)CCCCO/N=C(\c1ccccc1)C(Cc1ccc(Cl)cc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL339877 | 124236 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 425 | 11 | 1 | 5 | 5.0 | O=C(O)CCCCO/N=C(\c1ccccc1)C(Cc1ccc(Cl)cc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 10599289 | 20914 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 441 | 8 | 3 | 4 | 5.6 | CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3csc4cc(O)ccc34)[C@@H]1C2 | 10.1021/jm970343g | |||
| CHEMBL119810 | 20914 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 441 | 8 | 3 | 4 | 5.6 | CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3csc4cc(O)ccc34)[C@@H]1C2 | 10.1021/jm970343g | |||
| 10409839 | 21693 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 419 | 11 | 1 | 5 | 5.0 | CC(C)(CCCO/N=C(\c1ccccc1)C(Cc1ccccc1)n1ccnc1)C(=O)O | 10.1021/jm00047a016 | |||
| CHEMBL120811 | 21693 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 419 | 11 | 1 | 5 | 5.0 | CC(C)(CCCO/N=C(\c1ccccc1)C(Cc1ccccc1)n1ccnc1)C(=O)O | 10.1021/jm00047a016 | |||
| 10742144 | 66431 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 449 | 8 | 2 | 6 | 4.5 | COc1cc(CC2c3cc(O)c(O)cc3CCN2CCc2ccccc2)cc(OC)c1OC | 10.1021/jm950896w | |||
| CHEMBL172163 | 66431 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 449 | 8 | 2 | 6 | 4.5 | COc1cc(CC2c3cc(O)c(O)cc3CCN2CCc2ccccc2)cc(OC)c1OC | 10.1021/jm950896w | |||
| 10051348 | 123726 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 492 | 11 | 2 | 4 | 5.2 | Cc1cc(C)c(S(=O)(=O)NCCc2ccc(/C(=C\CCCC(=O)O)c3cccnc3)cc2)c(C)c1 | 10.1021/jm00027a004 | |||
| CHEMBL338588 | 123726 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 492 | 11 | 2 | 4 | 5.2 | Cc1cc(C)c(S(=O)(=O)NCCc2ccc(/C(=C\CCCC(=O)O)c3cccnc3)cc2)c(C)c1 | 10.1021/jm00027a004 | |||
| 10254162 | 170216 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 470 | 10 | 2 | 4 | 4.6 | O=C(O)CC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL419774 | 170216 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 470 | 10 | 2 | 4 | 4.6 | O=C(O)CC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 10741899 | 17290 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 443 | 8 | 2 | 3 | 6.0 | CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3csc4ccc(F)cc34)[C@@H]1C2 | 10.1021/jm970343g | |||
| CHEMBL116836 | 17290 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 443 | 8 | 2 | 3 | 6.0 | CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3csc4ccc(F)cc34)[C@@H]1C2 | 10.1021/jm970343g | |||
| 44344457 | 117290 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 467 | 10 | 1 | 4 | 5.3 | COC(=O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)[C@H]2CC[C@@H]1C2 | 10.1021/jm970343g | |||
| CHEMBL325026 | 117290 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 467 | 10 | 1 | 4 | 5.3 | COC(=O)CCC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(-c3ccccc3)cc2)[C@H]2CC[C@@H]1C2 | 10.1021/jm970343g | |||
| 65772 | 67177 | 8 | None | -9 | 6 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm950896w | |||
| CHEMBL174984 | 67177 | 8 | None | -9 | 6 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm950896w | |||
| 10402602 | 21848 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 301 | 9 | 1 | 5 | 2.6 | O=C(O)CCCCO/N=C(/Cn1ccnc1)c1ccccc1 | 10.1021/jm00047a016 | |||
| CHEMBL120947 | 21848 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 301 | 9 | 1 | 5 | 2.6 | O=C(O)CCCCO/N=C(/Cn1ccnc1)c1ccccc1 | 10.1021/jm00047a016 | |||
| 10370098 | 24756 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 541 | 13 | 2 | 5 | 4.1 | NC(=O)CN(CCc1ccc(/C(=C\CCCC(=O)O)c2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 | 10.1021/jm00027a004 | |||
| CHEMBL126196 | 24756 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 541 | 13 | 2 | 5 | 4.1 | NC(=O)CN(CCc1ccc(/C(=C\CCCC(=O)O)c2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 | 10.1021/jm00027a004 | |||
| 10424476 | 19240 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 293 | 8 | 1 | 5 | 2.7 | O=C(O)CCCO/N=C(/Cn1ccnc1)C1CCCCC1 | 10.1021/jm00047a016 | |||
| CHEMBL118619 | 19240 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 293 | 8 | 1 | 5 | 2.7 | O=C(O)CCCO/N=C(/Cn1ccnc1)C1CCCCC1 | 10.1021/jm00047a016 | |||
| 1938 | 8750 | 18 | None | -1 | 4 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 512 | 11 | 2 | 4 | 4.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1/C=C/[C@H](COc1ccc(cc1)I)O)O2 | 10.1021/jm00108a042 | |||
| 5311175 | 8750 | 18 | None | -1 | 4 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 512 | 11 | 2 | 4 | 4.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1/C=C/[C@H](COc1ccc(cc1)I)O)O2 | 10.1021/jm00108a042 | |||
| CHEMBL2113346 | 8750 | 18 | None | -1 | 4 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 512 | 11 | 2 | 4 | 4.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1/C=C/[C@H](COc1ccc(cc1)I)O)O2 | 10.1021/jm00108a042 | |||
| 10096033 | 105141 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 465 | 11 | 1 | 5 | 5.9 | O=C(O)CCCCO/N=C(\C1CCCCC1)C(Cc1ccc(C(F)(F)F)cc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL275256 | 105141 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 465 | 11 | 1 | 5 | 5.9 | O=C(O)CCCCO/N=C(\C1CCCCC1)C(Cc1ccc(C(F)(F)F)cc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 10052612 | 170219 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 526 | 12 | 1 | 4 | 6.1 | CC(C)N(CCc1ccc(/C(=C\CCCC(=O)O)c2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 | 10.1021/jm00027a004 | |||
| CHEMBL419790 | 170219 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 526 | 12 | 1 | 4 | 6.1 | CC(C)N(CCc1ccc(/C(=C\CCCC(=O)O)c2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 | 10.1021/jm00027a004 | |||
| 10096697 | 123653 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 480 | 12 | 2 | 5 | 4.3 | COc1ccc(S(=O)(=O)NCCc2ccc(/C(=C\CCCC(=O)O)c3cccnc3)cc2)cc1 | 10.1021/jm00027a004 | |||
| CHEMBL338241 | 123653 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 480 | 12 | 2 | 5 | 4.3 | COc1ccc(S(=O)(=O)NCCc2ccc(/C(=C\CCCC(=O)O)c3cccnc3)cc2)cc1 | 10.1021/jm00027a004 | |||
| 10364364 | 23063 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 412 | 11 | 2 | 6 | 4.3 | O=C(CCCCO/N=C(\C1CCCCC1)C(Cc1ccccc1)n1ccnc1)NO | 10.1021/jm00047a016 | |||
| CHEMBL122472 | 23063 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 412 | 11 | 2 | 6 | 4.3 | O=C(CCCCO/N=C(\C1CCCCC1)C(Cc1ccccc1)n1ccnc1)NO | 10.1021/jm00047a016 | |||
| 5362391 | 105872 | 25 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 366 | 8 | 1 | 4 | 4.1 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 | 10.1021/jm00027a004 | |||
| CHEMBL280728 | 105872 | 25 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 366 | 8 | 1 | 4 | 4.1 | O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 | 10.1021/jm00027a004 | |||
| 9931330 | 22334 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 409 | 11 | 1 | 5 | 4.5 | O=C(O)CCCCO/N=C(/c1ccccc1)C(Cc1ccc(F)cc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL122008 | 22334 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 409 | 11 | 1 | 5 | 4.5 | O=C(O)CCCCO/N=C(/c1ccccc1)C(Cc1ccc(F)cc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 10244704 | 175863 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 307 | 9 | 1 | 5 | 3.1 | O=C(O)CCCCO/N=C(\Cn1ccnc1)C1CCCCC1 | 10.1021/jm00047a016 | |||
| CHEMBL439790 | 175863 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 307 | 9 | 1 | 5 | 3.1 | O=C(O)CCCCO/N=C(\Cn1ccnc1)C1CCCCC1 | 10.1021/jm00047a016 | |||
| 10254161 | 124825 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 470 | 10 | 2 | 4 | 4.9 | O=C(O)CCC/C=C(\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL340396 | 124825 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 470 | 10 | 2 | 4 | 4.9 | O=C(O)CCC/C=C(\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 10371334 | 123690 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 597 | 14 | 1 | 6 | 5.0 | O=C(O)CCC/C=C(\c1ccc(CCN(CCN2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL338419 | 123690 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 597 | 14 | 1 | 6 | 5.0 | O=C(O)CCC/C=C(\c1ccc(CCN(CCN2CCOCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 131717 | 210168 | 6 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 452 | 14 | 2 | 4 | 4.7 | O=C(O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL65414 | 210168 | 6 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 452 | 14 | 2 | 4 | 4.7 | O=C(O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 | 10.1021/jm00027a004 | |||
| 10434230 | 25603 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 456 | 9 | 2 | 4 | 5.2 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/jm00027a004 | |||
| CHEMBL128022 | 25603 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 456 | 9 | 2 | 4 | 5.2 | O=C(O)CCC/C=C(/c1cccnc1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/jm00027a004 | |||
| 10256828 | 25473 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 542 | 13 | 2 | 5 | 4.7 | O=C(O)CCC/C=C(\c1ccc(CCN(CC(=O)O)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL127738 | 25473 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 542 | 13 | 2 | 5 | 4.7 | O=C(O)CCC/C=C(\c1ccc(CCN(CC(=O)O)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 10483231 | 25994 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 574 | 13 | 1 | 4 | 6.9 | O=C(O)CCC/C=C(\c1ccc(CCN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL129000 | 25994 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 574 | 13 | 1 | 4 | 6.9 | O=C(O)CCC/C=C(\c1ccc(CCN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 56924869 | 75156 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 487 | 8 | 1 | 4 | 5.8 | COC(=O)N(Cc1ccccc1)Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)ccc1OC | 10.1016/j.bmcl.2011.01.024 | |||
| CHEMBL1916697 | 75156 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 487 | 8 | 1 | 4 | 5.8 | COC(=O)N(Cc1ccccc1)Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)ccc1OC | 10.1016/j.bmcl.2011.01.024 | |||
| 45270144 | 202130 | 33 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 501 | 8 | 2 | 6 | 4.1 | CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)nc(N(C)C)c1CC(=O)O | 10.1016/j.bmcl.2009.06.085 | |||
| CHEMBL551813 | 202130 | 33 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 501 | 8 | 2 | 6 | 4.1 | CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)nc(N(C)C)c1CC(=O)O | 10.1016/j.bmcl.2009.06.085 | |||
| 44205724 | 75144 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 499 | 7 | 1 | 4 | 6.1 | COc1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2ccccc2)[C@@H]1C | 10.1016/j.bmcl.2011.01.024 | |||
| CHEMBL1916686 | 75144 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 499 | 7 | 1 | 4 | 6.1 | COc1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2ccccc2)[C@@H]1C | 10.1016/j.bmcl.2011.01.024 | |||
| 10050297 | 125220 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 468 | 11 | 2 | 4 | 4.4 | O=C(O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(F)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL341094 | 125220 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 468 | 11 | 2 | 4 | 4.4 | O=C(O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(F)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 10502610 | 170497 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 427 | 9 | 2 | 3 | 4.7 | O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2ccccc2c1 | 10.1021/jm970343g | |||
| CHEMBL420507 | 170497 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 427 | 9 | 2 | 3 | 4.7 | O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2ccccc2c1 | 10.1021/jm970343g | |||
| 44159411 | 75163 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 425 | 7 | 1 | 4 | 4.6 | CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)ccc1OC)C(=O)OC | 10.1016/j.bmcl.2011.01.024 | |||
| CHEMBL1916704 | 75163 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 425 | 7 | 1 | 4 | 4.6 | CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)ccc1OC)C(=O)OC | 10.1016/j.bmcl.2011.01.024 | |||
| 15486805 | 172832 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 394 | 13 | 4 | 5 | 3.0 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)COc1ccccc1 | 10.1021/jm990542v | |||
| CHEMBL425681 | 172832 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 394 | 13 | 4 | 5 | 3.0 | O=C(O)CCCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)COc1ccccc1 | 10.1021/jm990542v | |||
| 19097508 | 105548 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 508 | 10 | 2 | 5 | 4.8 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80330-3 | |||
| CHEMBL278159 | 105548 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 508 | 10 | 2 | 5 | 4.8 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80330-3 | |||
| 2449 | 211009 | 94 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 354 | 8 | 1 | 3 | 4.6 | CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O | 10.1021/jm00129a030 | |||
| CHEMBL70972 | 211009 | 94 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 354 | 8 | 1 | 3 | 4.6 | CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O | 10.1021/jm00129a030 | |||
| 9801735 | 21307 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 411 | 11 | 1 | 5 | 5.2 | Cc1ccc(CC(/C(=N/OCCCCC(=O)O)C2CCCCC2)n2ccnc2)cc1 | 10.1021/jm00047a016 | |||
| CHEMBL120250 | 21307 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 411 | 11 | 1 | 5 | 5.2 | Cc1ccc(CC(/C(=N/OCCCCC(=O)O)C2CCCCC2)n2ccnc2)cc1 | 10.1021/jm00047a016 | |||
| 10071192 | 119850 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 427 | 12 | 1 | 6 | 4.9 | COc1ccc(CC(/C(=N/OCCCCC(=O)O)C2CCCCC2)n2ccnc2)cc1 | 10.1021/jm00047a016 | |||
| CHEMBL331218 | 119850 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 427 | 12 | 1 | 6 | 4.9 | COc1ccc(CC(/C(=N/OCCCCC(=O)O)C2CCCCC2)n2ccnc2)cc1 | 10.1021/jm00047a016 | |||
| 46202376 | 70528 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 394 | 4 | 0 | 4 | 5.1 | COc1ccc2c(c1)C(CC1CCOCC1)(c1ccc(Cl)cc1)n1ccnc1-2 | 10.1016/j.bmcl.2010.04.016 | |||
| CHEMBL1801358 | 70528 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 394 | 4 | 0 | 4 | 5.1 | COc1ccc2c(c1)C(CC1CCOCC1)(c1ccc(Cl)cc1)n1ccnc1-2 | 10.1016/j.bmcl.2010.04.016 | |||
| 9973005 | 121518 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 315 | 9 | 1 | 5 | 3.1 | CC(/C(=N/OCCCCC(=O)O)c1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL333868 | 121518 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 315 | 9 | 1 | 5 | 3.1 | CC(/C(=N/OCCCCC(=O)O)c1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 10096378 | 24792 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 472 | 11 | 2 | 4 | 4.6 | O=C(O)CCCC(c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL126373 | 24792 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 472 | 11 | 2 | 4 | 4.6 | O=C(O)CCCC(c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 10529683 | 170423 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 509 | 11 | 2 | 5 | 6.6 | CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NS(=O)(=O)c3ccc(/N=N/c4ccccc4)cc3)[C@@H]1C2 | 10.1021/jm970343g | |||
| CHEMBL420404 | 170423 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 509 | 11 | 2 | 5 | 6.6 | CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NS(=O)(=O)c3ccc(/N=N/c4ccccc4)cc3)[C@@H]1C2 | 10.1021/jm970343g | |||
| 10380987 | 21327 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 315 | 10 | 1 | 5 | 2.9 | O=C(O)CCCCCO/N=C(\Cn1ccnc1)c1ccccc1 | 10.1021/jm00047a016 | |||
| CHEMBL120370 | 21327 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 315 | 10 | 1 | 5 | 2.9 | O=C(O)CCCCCO/N=C(\Cn1ccnc1)c1ccccc1 | 10.1021/jm00047a016 | |||
| 10320883 | 20721 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 437 | 12 | 1 | 6 | 5.1 | CSc1ccc(/C(=N\OCCCCC(=O)O)C(Cc2ccccc2)n2ccnc2)cc1 | 10.1021/jm00047a016 | |||
| CHEMBL119661 | 20721 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 437 | 12 | 1 | 6 | 5.1 | CSc1ccc(/C(=N\OCCCCC(=O)O)C(Cc2ccccc2)n2ccnc2)cc1 | 10.1021/jm00047a016 | |||
| 53358921 | 71215 | 0 | None | - | 6 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 482 | 7 | 1 | 5 | 5.4 | CCN1c2ccccc2C[C@@H]1COc1ccc(C(=O)n2c(C)c(CC(=O)O)c3ccccc32)c(C)c1 | 10.1016/j.bmc.2011.06.014 | |||
| CHEMBL1813287 | 71215 | 0 | None | - | 6 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 482 | 7 | 1 | 5 | 5.4 | CCN1c2ccccc2C[C@@H]1COc1ccc(C(=O)n2c(C)c(CC(=O)O)c3ccccc32)c(C)c1 | 10.1016/j.bmc.2011.06.014 | |||
| 6366700 | 21292 | 7 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 397 | 11 | 1 | 5 | 4.9 | O=C(O)CCCCO/N=C(\C1CCCCC1)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL120181 | 21292 | 7 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 397 | 11 | 1 | 5 | 4.9 | O=C(O)CCCCO/N=C(\C1CCCCC1)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 10411480 | 24862 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 450 | 11 | 2 | 4 | 4.3 | O=C(O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccccc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL126761 | 24862 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 450 | 11 | 2 | 4 | 4.3 | O=C(O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccccc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 10595288 | 212097 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 369 | 8 | 2 | 2 | 4.7 | CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3ccccc3)[C@@H]1C2 | 10.1021/jm970343g | |||
| CHEMBL79413 | 212097 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 369 | 8 | 2 | 2 | 4.7 | CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3ccccc3)[C@@H]1C2 | 10.1021/jm970343g | |||
| 3077003 | 123864 | 3 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 486 | 12 | 2 | 4 | 5.0 | O=C(O)CCCCC(c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL339269 | 123864 | 3 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 486 | 12 | 2 | 4 | 5.0 | O=C(O)CCCCC(c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 10495597 | 66057 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 316 | 3 | 4 | 6 | 2.1 | O=[N+]([O-])c1cc(CC2NCCc3cc(O)c(O)cc32)ccc1O | 10.1021/jm950896w | |||
| CHEMBL170451 | 66057 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 316 | 3 | 4 | 6 | 2.1 | O=[N+]([O-])c1cc(CC2NCCc3cc(O)c(O)cc32)ccc1O | 10.1021/jm950896w | |||
| 10453182 | 21840 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 393 | 11 | 1 | 6 | 3.2 | O=C(O)COCCO/N=C(\c1ccccc1)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL120943 | 21840 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 393 | 11 | 1 | 6 | 3.2 | O=C(O)COCCO/N=C(\c1ccccc1)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 10683471 | 66671 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 270 | 2 | 4 | 4 | 2.1 | Nc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1 | 10.1021/jm950896w | |||
| CHEMBL173039 | 66671 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 270 | 2 | 4 | 4 | 2.1 | Nc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1 | 10.1021/jm950896w | |||
| 22901615 | 123691 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 480 | 9 | 2 | 4 | 4.4 | O=C(O)CCC/C=C(/c1cccnc1)c1ccc2c(c1)CC(NS(=O)(=O)c1ccc(F)cc1)C2 | 10.1021/jm00027a004 | |||
| CHEMBL338420 | 123691 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 480 | 9 | 2 | 4 | 4.4 | O=C(O)CCC/C=C(/c1cccnc1)c1ccc2c(c1)CC(NS(=O)(=O)c1ccc(F)cc1)C2 | 10.1021/jm00027a004 | |||
| 10254733 | 25240 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 483 | 11 | 2 | 4 | 4.3 | NC(=O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| CHEMBL127212 | 25240 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 483 | 11 | 2 | 4 | 4.3 | NC(=O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 | 10.1021/jm00027a004 | |||
| 9867949 | 17291 | 24 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 441 | 8 | 3 | 4 | 5.6 | CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3csc4ccc(O)cc34)[C@@H]1C2 | 10.1021/jm970343g | |||
| CHEMBL116837 | 17291 | 24 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 441 | 8 | 3 | 4 | 5.6 | CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3csc4ccc(O)cc34)[C@@H]1C2 | 10.1021/jm970343g | |||
| 10431401 | 18476 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 405 | 12 | 1 | 5 | 4.7 | O=C(O)CCCCCO/N=C(/c1ccccc1)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL118124 | 18476 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 405 | 12 | 1 | 5 | 4.7 | O=C(O)CCCCCO/N=C(/c1ccccc1)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 5747298 | 177214 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 397 | 11 | 1 | 5 | 4.9 | O=C(O)CCCCO/N=C(/C1CCCCC1)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| CHEMBL444856 | 177214 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 397 | 11 | 1 | 5 | 4.9 | O=C(O)CCCCO/N=C(/C1CCCCC1)C(Cc1ccccc1)n1ccnc1 | 10.1021/jm00047a016 | |||
| 19884707 | 111980 | 0 | None | - | 1 | Human | 10.3 | pKd | = | 10.3 | Binding | ChEMBL | 507 | 13 | 1 | 5 | 6.9 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)CCCCCC2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| CHEMBL31146 | 111980 | 0 | None | - | 1 | Human | 10.3 | pKd | = | 10.3 | Binding | ChEMBL | 507 | 13 | 1 | 5 | 6.9 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)CCCCCC2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| 14952347 | 114128 | 0 | None | - | 1 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 508 | 12 | 2 | 5 | 5.7 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1016/S0960-894X(01)81106-9 | |||
| CHEMBL31765 | 114128 | 0 | None | - | 1 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 508 | 12 | 2 | 5 | 5.7 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1016/S0960-894X(01)81106-9 | |||
| 14952347 | 114128 | 0 | None | - | 1 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 508 | 12 | 2 | 5 | 5.7 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1016/S0960-894X(00)80592-2 | |||
| CHEMBL31765 | 114128 | 0 | None | - | 1 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 508 | 12 | 2 | 5 | 5.7 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1016/S0960-894X(00)80592-2 | |||
| 14952347 | 114128 | 0 | None | - | 1 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 508 | 12 | 2 | 5 | 5.7 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| CHEMBL31765 | 114128 | 0 | None | - | 1 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 508 | 12 | 2 | 5 | 5.7 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| 14952443 | 109698 | 0 | None | - | 1 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 536 | 12 | 2 | 5 | 5.6 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCc2ccc(Cl)cc2)co1 | 10.1021/jm00062a013 | |||
| CHEMBL30615 | 109698 | 0 | None | - | 1 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 536 | 12 | 2 | 5 | 5.6 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCc2ccc(Cl)cc2)co1 | 10.1021/jm00062a013 | |||
| 14952423 | 109854 | 0 | None | - | 1 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 468 | 13 | 2 | 5 | 4.9 | CCCCCCCNC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1021/jm00062a013 | |||
| CHEMBL30743 | 109854 | 0 | None | - | 1 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 468 | 13 | 2 | 5 | 4.9 | CCCCCCCNC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1021/jm00062a013 | |||
| 19875349 | 106062 | 0 | None | - | 1 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 532 | 13 | 2 | 6 | 5.0 | COc1ccc(CCCCNC(=O)c2coc(C3C4CCC(O4)C3Cc3ccccc3CCC(=O)O)n2)cc1 | 10.1021/jm00062a013 | |||
| CHEMBL281959 | 106062 | 0 | None | - | 1 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 532 | 13 | 2 | 6 | 5.0 | COc1ccc(CCCCNC(=O)c2coc(C3C4CCC(O4)C3Cc3ccccc3CCC(=O)O)n2)cc1 | 10.1021/jm00062a013 | |||
| 19875370 | 106370 | 0 | None | - | 1 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 502 | 12 | 2 | 5 | 4.9 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCc2ccccc2)co1 | 10.1021/jm00062a013 | |||
| CHEMBL283923 | 106370 | 0 | None | - | 1 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 502 | 12 | 2 | 5 | 4.9 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCc2ccccc2)co1 | 10.1021/jm00062a013 | |||
| 52935553 | 84744 | 0 | None | - | 1 | Human | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 352 | 12 | 1 | 3 | 5.1 | CC/C=C\CCSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | |||
| CHEMBL2096756 | 84744 | 0 | None | - | 1 | Human | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 352 | 12 | 1 | 3 | 5.1 | CC/C=C\CCSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | |||
| 44458593 | 102106 | 0 | None | - | 1 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 466 | 9 | 2 | 4 | 5.4 | O=C(O)CCc1ccccc1C[C@@H]1CCC[C@H]1c1nc(C(=O)NCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80329-7 | |||
| CHEMBL25657 | 102106 | 0 | None | - | 1 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 466 | 9 | 2 | 4 | 5.4 | O=C(O)CCc1ccccc1C[C@@H]1CCC[C@H]1c1nc(C(=O)NCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80329-7 | |||
| 19875466 | 107763 | 0 | None | - | 1 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 518 | 12 | 3 | 6 | 4.7 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCc2ccc(O)cc2)co1 | 10.1021/jm00062a013 | |||
| CHEMBL29429 | 107763 | 0 | None | - | 1 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 518 | 12 | 3 | 6 | 4.7 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCc2ccc(O)cc2)co1 | 10.1021/jm00062a013 | |||
| 19875479 | 110956 | 0 | None | - | 1 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 482 | 11 | 2 | 5 | 5.1 | CC(C)(C)CCCCNC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1021/jm00062a013 | |||
| CHEMBL30972 | 110956 | 0 | None | - | 1 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 482 | 11 | 2 | 5 | 5.1 | CC(C)(C)CCCCNC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1021/jm00062a013 | |||
| 19875360 | 114600 | 0 | None | - | 1 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 480 | 10 | 2 | 5 | 4.9 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCC2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| CHEMBL31922 | 114600 | 0 | None | - | 1 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 480 | 10 | 2 | 5 | 4.9 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCC2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| 19875435 | 166726 | 0 | None | - | 1 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 474 | 10 | 2 | 5 | 4.2 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCc2ccccc2)co1 | 10.1021/jm00062a013 | |||
| CHEMBL410732 | 166726 | 0 | None | - | 1 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 474 | 10 | 2 | 5 | 4.2 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCc2ccccc2)co1 | 10.1021/jm00062a013 | |||
| 19875423 | 106020 | 0 | None | - | 1 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 440 | 9 | 2 | 5 | 4.1 | CCC(C)(C)NC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1021/jm00062a013 | |||
| CHEMBL281726 | 106020 | 0 | None | - | 1 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 440 | 9 | 2 | 5 | 4.1 | CCC(C)(C)NC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1021/jm00062a013 | |||
| 44279917 | 112069 | 0 | None | - | 1 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 522 | 13 | 2 | 5 | 6.1 | O=C(O)CCCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| CHEMBL31154 | 112069 | 0 | None | - | 1 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 522 | 13 | 2 | 5 | 6.1 | O=C(O)CCCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| 44279871 | 106816 | 0 | None | - | 1 | Human | 9.0 | pKd | = | 9 | Binding | ChEMBL | 509 | 12 | 1 | 6 | 6.1 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)OCCCCC2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| CHEMBL286978 | 106816 | 0 | None | - | 1 | Human | 9.0 | pKd | = | 9 | Binding | ChEMBL | 509 | 12 | 1 | 6 | 6.1 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)OCCCCC2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| 20844482 | 214534 | 0 | None | - | 1 | Human | 9.0 | pKd | = | 9 | Binding | ChEMBL | 421 | 8 | 3 | 4 | 3.8 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1/C=N/NC(=O)Nc1ccccc1 | 10.1021/jm00113a030 | |||
| CHEMBL95872 | 214534 | 0 | None | - | 1 | Human | 9.0 | pKd | = | 9 | Binding | ChEMBL | 421 | 8 | 3 | 4 | 3.8 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1/C=N/NC(=O)Nc1ccccc1 | 10.1021/jm00113a030 | |||
| 13799378 | 111234 | 0 | None | - | 1 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 462 | 14 | 3 | 4 | 4.0 | O=C(O)CCC/C=C/CC1C2CCC(O2)C1CNC(=O)CNC(=O)CCCC1CCCCC1 | 10.1021/jm00171a021 | |||
| CHEMBL310406 | 111234 | 0 | None | - | 1 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 462 | 14 | 3 | 4 | 4.0 | O=C(O)CCC/C=C/CC1C2CCC(O2)C1CNC(=O)CNC(=O)CCCC1CCCCC1 | 10.1021/jm00171a021 | |||
| 18675848 | 106610 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 494 | 11 | 2 | 5 | 5.3 | O=C(O)Cc1cccc(CC2C3CCC(O3)C2c2nc(C(=O)NCCCCC3CCCCC3)co2)c1 | 10.1021/jm00062a013 | |||
| CHEMBL285596 | 106610 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 494 | 11 | 2 | 5 | 5.3 | O=C(O)Cc1cccc(CC2C3CCC(O3)C2c2nc(C(=O)NCCCCC3CCCCC3)co2)c1 | 10.1021/jm00062a013 | |||
| 19097508 | 105548 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 508 | 10 | 2 | 5 | 4.8 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80330-3 | |||
| CHEMBL278159 | 105548 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 508 | 10 | 2 | 5 | 4.8 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80330-3 | |||
| 19097508 | 105548 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 508 | 10 | 2 | 5 | 4.8 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 | 10.1021/jm00062a013 | |||
| CHEMBL278159 | 105548 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 508 | 10 | 2 | 5 | 4.8 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 | 10.1021/jm00062a013 | |||
| 118718127 | 122054 | 0 | None | - | 1 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 354 | 13 | 1 | 3 | 5.3 | CCCCCCSC[C@H]1C2CC[C@@H](O2)[C@H]1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | |||
| CHEMBL3349042 | 122054 | 0 | None | - | 1 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 354 | 13 | 1 | 3 | 5.3 | CCCCCCSC[C@H]1C2CC[C@@H](O2)[C@H]1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | |||
| 19875425 | 109188 | 0 | None | - | 1 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 585 | 13 | 2 | 7 | 4.7 | CS(=O)(=O)NC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| CHEMBL30398 | 109188 | 0 | None | - | 1 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 585 | 13 | 2 | 7 | 4.7 | CS(=O)(=O)NC(=O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| 19973038 | 174983 | 0 | None | - | 1 | Human | 8.0 | pKd | = | 8 | Binding | ChEMBL | 412 | 9 | 2 | 5 | 3.3 | CCCNC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1021/jm00062a013 | |||
| CHEMBL433435 | 174983 | 0 | None | - | 1 | Human | 8.0 | pKd | = | 8 | Binding | ChEMBL | 412 | 9 | 2 | 5 | 3.3 | CCCNC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1021/jm00062a013 | |||
| 19097519 | 169052 | 0 | None | - | 1 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 524 | 12 | 2 | 5 | 6.6 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(/C(S)=N/CCCCC2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| CHEMBL416395 | 169052 | 0 | None | - | 1 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 524 | 12 | 2 | 5 | 6.6 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(/C(S)=N/CCCCC2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| 3356 | 9060 | 73 | None | -38 | 8 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1021/jm0603668 | |||
| 4326 | 9060 | 73 | None | -38 | 8 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1021/jm0603668 | |||
| 9867642 | 9060 | 73 | None | -38 | 8 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1021/jm0603668 | |||
| CHEMBL426559 | 9060 | 73 | None | -38 | 8 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1021/jm0603668 | |||
| DB11629 | 9060 | 73 | None | -38 | 8 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1021/jm0603668 | |||
| 54757965 | 72054 | 0 | None | - | 1 | Mouse | 5.0 | pKd | = | 5 | Binding | ChEMBL | 353 | 8 | 2 | 3 | 2.8 | O=S(=O)(NCCc1cccc(CCCO)c1)c1ccc(Cl)cc1 | 10.1021/jm200980u | |||
| CHEMBL1828642 | 72054 | 0 | None | - | 1 | Mouse | 5.0 | pKd | = | 5 | Binding | ChEMBL | 353 | 8 | 2 | 3 | 2.8 | O=S(=O)(NCCc1cccc(CCCO)c1)c1ccc(Cl)cc1 | 10.1021/jm200980u | |||
| 19838931 | 215118 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 421 | 8 | 3 | 4 | 3.8 | O=C(O)Cc1cccc(CCC2C3CCC(O3)C2/C=N/NC(=O)Nc2ccccc2)c1 | 10.1021/jm00113a030 | |||
| CHEMBL99348 | 215118 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 421 | 8 | 3 | 4 | 3.8 | O=C(O)Cc1cccc(CCC2C3CCC(O3)C2/C=N/NC(=O)Nc2ccccc2)c1 | 10.1021/jm00113a030 | |||
| 19104215 | 94735 | 0 | None | - | 1 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 481 | 12 | 2 | 5 | 5.5 | O=C(O)CCc1ccccc1CN1CCCC1c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1016/S0960-894X(00)80328-5 | |||
| CHEMBL23414 | 94735 | 0 | None | - | 1 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 481 | 12 | 2 | 5 | 5.5 | O=C(O)CCc1ccccc1CN1CCCC1c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1016/S0960-894X(00)80328-5 | |||
| 54669847 | 72227 | 0 | None | 18 | 2 | Mouse | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 405 | 7 | 2 | 4 | 3.4 | O=C1C=C(O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1 | 10.1021/jm200980u | |||
| CHEMBL1829805 | 72227 | 0 | None | 18 | 2 | Mouse | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 405 | 7 | 2 | 4 | 3.4 | O=C1C=C(O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1 | 10.1021/jm200980u | |||
| 19875443 | 170039 | 0 | None | - | 1 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 454 | 11 | 1 | 5 | 4.5 | CCCCCN(C)C(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1021/jm00062a013 | |||
| CHEMBL418583 | 170039 | 0 | None | - | 1 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 454 | 11 | 1 | 5 | 4.5 | CCCCCN(C)C(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1021/jm00062a013 | |||
| 23302977 | 209418 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 543 | 15 | 2 | 5 | 7.7 | O=C(O)CCCCC/C=C(\c1ccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)cc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| CHEMBL61306 | 209418 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 543 | 15 | 2 | 5 | 7.7 | O=C(O)CCCCC/C=C(\c1ccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)cc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| 44301139 | 108824 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 531 | 14 | 2 | 5 | 6.2 | O=C(O)CCCC/C=C(\c1cccnc1)c1ccccc1C1=N[C@@H](C(=O)NCCCCC2CCCCC2)CO1 | 10.1016/s0960-894x(98)00353-9 | |||
| CHEMBL301904 | 108824 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 531 | 14 | 2 | 5 | 6.2 | O=C(O)CCCC/C=C(\c1cccnc1)c1ccccc1C1=N[C@@H](C(=O)NCCCCC2CCCCC2)CO1 | 10.1016/s0960-894x(98)00353-9 | |||
| 19813455 | 106156 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 494 | 12 | 2 | 5 | 5.6 | O=C(NCCCCC1CCCCC1)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCCO)n1 | 10.1021/jm00062a013 | |||
| CHEMBL282601 | 106156 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 494 | 12 | 2 | 5 | 5.6 | O=C(NCCCCC1CCCCC1)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCCO)n1 | 10.1021/jm00062a013 | |||
| 15462459 | 108448 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 447 | 11 | 2 | 5 | 3.8 | O=C(O)CCCC/C=C(\c1ccc(C2=N[C@H](C(=O)NCC3CC3)CO2)cc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| CHEMBL299280 | 108448 | 0 | None | - | 1 | Human | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 447 | 11 | 2 | 5 | 3.8 | O=C(O)CCCC/C=C(\c1ccc(C2=N[C@H](C(=O)NCC3CC3)CO2)cc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| 54757867 | 72225 | 0 | None | -9 | 2 | Human | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 405 | 7 | 2 | 4 | 3.6 | O=C1CCC(O)=C1Cc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/jm200980u | |||
| CHEMBL1829803 | 72225 | 0 | None | -9 | 2 | Human | 4.9 | pKd | = | 4.9 | Binding | ChEMBL | 405 | 7 | 2 | 4 | 3.6 | O=C1CCC(O)=C1Cc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/jm200980u | |||
| 54757867 | 72225 | 0 | None | 9 | 2 | Mouse | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 405 | 7 | 2 | 4 | 3.6 | O=C1CCC(O)=C1Cc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/jm200980u | |||
| CHEMBL1829803 | 72225 | 0 | None | 9 | 2 | Mouse | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 405 | 7 | 2 | 4 | 3.6 | O=C1CCC(O)=C1Cc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/jm200980u | |||
| 14673099 | 114295 | 0 | None | - | 1 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 423 | 8 | 3 | 5 | 3.3 | O=C(O)COc1cccc(CC2C3CCC(O3)C2/C=N/NC(=O)Nc2ccccc2)c1 | 10.1021/jm00113a030 | |||
| CHEMBL318673 | 114295 | 0 | None | - | 1 | Human | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 423 | 8 | 3 | 5 | 3.3 | O=C(O)COc1cccc(CC2C3CCC(O3)C2/C=N/NC(=O)Nc2ccccc2)c1 | 10.1021/jm00113a030 | |||
| 10369704 | 107670 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 529 | 14 | 2 | 5 | 7.3 | O=C(O)CCCC/C=C(/c1cccnc1)c1cccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)c1 | 10.1016/s0960-894x(98)00353-9 | |||
| CHEMBL293764 | 107670 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 529 | 14 | 2 | 5 | 7.3 | O=C(O)CCCC/C=C(/c1cccnc1)c1cccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)c1 | 10.1016/s0960-894x(98)00353-9 | |||
| 14885216 | 212084 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 438 | 15 | 3 | 4 | 4.4 | CCCCCC/C(S)=N/CC(=O)NCC1C2CCC(O2)C1C/C=C/CCCC(=O)O | 10.1021/jm00171a021 | |||
| CHEMBL79287 | 212084 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 438 | 15 | 3 | 4 | 4.4 | CCCCCC/C(S)=N/CC(=O)NCC1C2CCC(O2)C1C/C=C/CCCC(=O)O | 10.1021/jm00171a021 | |||
| 15462462 | 205041 | 0 | None | - | 1 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 481 | 11 | 2 | 5 | 5.7 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCc3ccccc3)co2)cc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| CHEMBL57576 | 205041 | 0 | None | - | 1 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 481 | 11 | 2 | 5 | 5.7 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCc3ccccc3)co2)cc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| 71452805 | 86471 | 0 | None | - | 1 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 282 | 2 | 0 | 2 | 4.4 | CC1(C)C2CC[C@H](Cc3cccc4ccc(=O)oc34)C1C2 | 10.1016/0960-894X(95)00284-Z | |||
| CHEMBL2115413 | 86471 | 0 | None | - | 1 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 282 | 2 | 0 | 2 | 4.4 | CC1(C)C2CC[C@H](Cc3cccc4ccc(=O)oc34)C1C2 | 10.1016/0960-894X(95)00284-Z | |||
| 10546960 | 210134 | 0 | None | -70 | 3 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 367 | 8 | 2 | 3 | 2.9 | O=C(O)CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/jm200980u | |||
| CHEMBL65121 | 210134 | 0 | None | -70 | 3 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 367 | 8 | 2 | 3 | 2.9 | O=C(O)CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/jm200980u | |||
| 15852312 | 208282 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 529 | 14 | 2 | 5 | 7.3 | O=C(O)CCCC/C=C(/c1ccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)cc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| CHEMBL60516 | 208282 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 529 | 14 | 2 | 5 | 7.3 | O=C(O)CCCC/C=C(/c1ccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)cc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| 44301318 | 203906 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 531 | 14 | 2 | 5 | 6.2 | O=C(O)CCCC/C=C(\c1ccc(C2=N[C@@H](C(=O)NCCCCC3CCCCC3)CO2)cc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| CHEMBL56778 | 203906 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 531 | 14 | 2 | 5 | 6.2 | O=C(O)CCCC/C=C(\c1ccc(C2=N[C@@H](C(=O)NCCCCC3CCCCC3)CO2)cc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| 15852311 | 205575 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 531 | 14 | 2 | 5 | 6.2 | O=C(O)CCCC/C=C(\c1ccc(C2=N[C@H](C(=O)NCCCCC3CCCCC3)CO2)cc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| CHEMBL58332 | 205575 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 531 | 14 | 2 | 5 | 6.2 | O=C(O)CCCC/C=C(\c1ccc(C2=N[C@H](C(=O)NCCCCC3CCCCC3)CO2)cc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| 15458912 | 107370 | 0 | None | - | 1 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 529 | 14 | 2 | 5 | 7.3 | O=C(O)CCCC/C=C(\c1cccnc1)c1ccccc1-c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1016/s0960-894x(98)00353-9 | |||
| CHEMBL291789 | 107370 | 0 | None | - | 1 | Human | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 529 | 14 | 2 | 5 | 7.3 | O=C(O)CCCC/C=C(\c1cccnc1)c1ccccc1-c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1016/s0960-894x(98)00353-9 | |||
| 44301194 | 107339 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 461 | 13 | 2 | 5 | 5.7 | CCCCCNC(=O)c1coc(-c2ccc(/C(=C\CCCCC(=O)O)c3cccnc3)cc2)n1 | 10.1016/s0960-894x(98)00353-9 | |||
| CHEMBL291539 | 107339 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 461 | 13 | 2 | 5 | 5.7 | CCCCCNC(=O)c1coc(-c2ccc(/C(=C\CCCCC(=O)O)c3cccnc3)cc2)n1 | 10.1016/s0960-894x(98)00353-9 | |||
| 19875405 | 105877 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 508 | 12 | 2 | 5 | 5.7 | O=C(O)Cc1cccc(CCC2C3CCC(O3)C2c2nc(C(=O)NCCCCC3CCCCC3)co2)c1 | 10.1021/jm00062a013 | |||
| CHEMBL280786 | 105877 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 508 | 12 | 2 | 5 | 5.7 | O=C(O)Cc1cccc(CCC2C3CCC(O3)C2c2nc(C(=O)NCCCCC3CCCCC3)co2)c1 | 10.1021/jm00062a013 | |||
| 54758054 | 72224 | 0 | None | 20 | 2 | Mouse | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 420 | 8 | 3 | 6 | 1.8 | O=c1c(O)c(NCc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)c1=O | 10.1021/jm200980u | |||
| CHEMBL1829802 | 72224 | 0 | None | 20 | 2 | Mouse | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 420 | 8 | 3 | 6 | 1.8 | O=c1c(O)c(NCc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)c1=O | 10.1021/jm200980u | |||
| 13799369 | 212347 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 436 | 16 | 3 | 4 | 3.6 | CCCCCCCC(=O)NCC(=O)NCC1C2CCC(O2)C1C/C=C/CCCC(=O)O | 10.1021/jm00171a021 | |||
| CHEMBL81263 | 212347 | 0 | None | - | 1 | Human | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 436 | 16 | 3 | 4 | 3.6 | CCCCCCCC(=O)NCC(=O)NCC1C2CCC(O2)C1C/C=C/CCCC(=O)O | 10.1021/jm00171a021 | |||
| 44209494 | 215077 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 407 | 7 | 3 | 4 | 3.5 | O=C(O)Cc1cccc(CC2C3CCC(O3)C2/C=N/NC(=O)Nc2ccccc2)c1 | 10.1021/jm00113a030 | |||
| CHEMBL99041 | 215077 | 0 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 407 | 7 | 3 | 4 | 3.5 | O=C(O)Cc1cccc(CC2C3CCC(O3)C2/C=N/NC(=O)Nc2ccccc2)c1 | 10.1021/jm00113a030 | |||
| 15052910 | 198705 | 1 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 313 | 11 | 2 | 3 | 2.8 | O=C(O)CCCCCCCCNS(=O)(=O)c1ccccc1 | 10.1016/S0960-894X(01)80794-0 | |||
| CHEMBL52003 | 198705 | 1 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 313 | 11 | 2 | 3 | 2.8 | O=C(O)CCCCCCCCNS(=O)(=O)c1ccccc1 | 10.1016/S0960-894X(01)80794-0 | |||
| 19875358 | 106773 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 494 | 11 | 2 | 5 | 5.7 | O=C(O)c1cccc(CCC2C3CCC(O3)C2c2nc(C(=O)NCCCCC3CCCCC3)co2)c1 | 10.1021/jm00062a013 | |||
| CHEMBL286708 | 106773 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 494 | 11 | 2 | 5 | 5.7 | O=C(O)c1cccc(CCC2C3CCC(O3)C2c2nc(C(=O)NCCCCC3CCCCC3)co2)c1 | 10.1021/jm00062a013 | |||
| 44301250 | 209071 | 0 | None | - | 1 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 531 | 14 | 2 | 5 | 6.2 | O=C(O)CCCC/C=C(/c1cccnc1)c1ccccc1C1=N[C@@H](C(=O)NCCCCC2CCCCC2)CO1 | 10.1016/s0960-894x(98)00353-9 | |||
| CHEMBL61021 | 209071 | 0 | None | - | 1 | Human | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 531 | 14 | 2 | 5 | 6.2 | O=C(O)CCCC/C=C(/c1cccnc1)c1ccccc1C1=N[C@@H](C(=O)NCCCCC2CCCCC2)CO1 | 10.1016/s0960-894x(98)00353-9 | |||
| 54758053 | 72223 | 0 | None | 17 | 2 | Mouse | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 391 | 8 | 2 | 5 | 2.2 | O=S(=O)(NCCc1cccc(CCc2nn[nH]n2)c1)c1ccc(Cl)cc1 | 10.1021/jm200980u | |||
| CHEMBL1829801 | 72223 | 0 | None | 17 | 2 | Mouse | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 391 | 8 | 2 | 5 | 2.2 | O=S(=O)(NCCc1cccc(CCc2nn[nH]n2)c1)c1ccc(Cl)cc1 | 10.1021/jm200980u | |||
| 18944178 | 66128 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 488 | 12 | 2 | 4 | 6.4 | O=C(O)CCc1ccccc1Cc1ccccc1-c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1016/S0960-894X(00)80592-2 | |||
| CHEMBL170747 | 66128 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 488 | 12 | 2 | 4 | 6.4 | O=C(O)CCc1ccccc1Cc1ccccc1-c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1016/S0960-894X(00)80592-2 | |||
| 19875392 | 106871 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 426 | 7 | 2 | 5 | 3.7 | CC(C)(C)NC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1021/jm00062a013 | |||
| CHEMBL287421 | 106871 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 426 | 7 | 2 | 5 | 3.7 | CC(C)(C)NC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1021/jm00062a013 | |||
| 19813457 | 111317 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 494 | 11 | 2 | 5 | 5.3 | O=C(O)Cc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| CHEMBL31043 | 111317 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 494 | 11 | 2 | 5 | 5.3 | O=C(O)Cc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| 44461598 | 112630 | 0 | None | - | 1 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 476 | 15 | 3 | 4 | 4.4 | O=C(O)CCC/C=C/CC1C2CCC(O2)C1CNC(=O)CNC(=O)CCCCC1CCCCC1 | 10.1021/jm00171a021 | |||
| CHEMBL312732 | 112630 | 0 | None | - | 1 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 476 | 15 | 3 | 4 | 4.4 | O=C(O)CCC/C=C/CC1C2CCC(O2)C1CNC(=O)CNC(=O)CCCCC1CCCCC1 | 10.1021/jm00171a021 | |||
| 19875446 | 106828 | 0 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 548 | 13 | 2 | 6 | 5.7 | CSc1ccc(CCCCNC(=O)c2coc(C3C4CCC(O4)C3Cc3ccccc3CCC(=O)O)n2)cc1 | 10.1021/jm00062a013 | |||
| CHEMBL287068 | 106828 | 0 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 548 | 13 | 2 | 6 | 5.7 | CSc1ccc(CCCCNC(=O)c2coc(C3C4CCC(O4)C3Cc3ccccc3CCC(=O)O)n2)cc1 | 10.1021/jm00062a013 | |||
| 44279758 | 114263 | 0 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 454 | 9 | 2 | 5 | 4.4 | CC(C)(C)CCNC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1021/jm00062a013 | |||
| CHEMBL31850 | 114263 | 0 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 454 | 9 | 2 | 5 | 4.4 | CC(C)(C)CCNC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1021/jm00062a013 | |||
| 6913677 | 192110 | 1 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 377 | 9 | 2 | 3 | 3.6 | O=C(O)CCC/C=C\CC1C2CCC(C2)C1NS(=O)(=O)c1ccccc1 | 10.1016/S0960-894X(01)80794-0 | |||
| CHEMBL48597 | 192110 | 1 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 377 | 9 | 2 | 3 | 3.6 | O=C(O)CCC/C=C\CC1C2CCC(C2)C1NS(=O)(=O)c1ccccc1 | 10.1016/S0960-894X(01)80794-0 | |||
| 44279913 | 109831 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 456 | 12 | 3 | 6 | 3.1 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCCO)co1 | 10.1021/jm00062a013 | |||
| CHEMBL30727 | 109831 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 456 | 12 | 3 | 6 | 3.1 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCCO)co1 | 10.1021/jm00062a013 | |||
| 54669847 | 72227 | 0 | None | -18 | 2 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 405 | 7 | 2 | 4 | 3.4 | O=C1C=C(O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1 | 10.1021/jm200980u | |||
| CHEMBL1829805 | 72227 | 0 | None | -18 | 2 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 405 | 7 | 2 | 4 | 3.4 | O=C1C=C(O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)C1 | 10.1021/jm200980u | |||
| 44329879 | 214532 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 435 | 9 | 3 | 4 | 4.2 | O=C(O)CCCc1ccccc1CC1C2CCC(O2)C1/C=N/NC(=O)Nc1ccccc1 | 10.1021/jm00113a030 | |||
| CHEMBL95867 | 214532 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 435 | 9 | 3 | 4 | 4.2 | O=C(O)CCCc1ccccc1CC1C2CCC(O2)C1/C=N/NC(=O)Nc1ccccc1 | 10.1021/jm00113a030 | |||
| 19875478 | 109130 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 551 | 13 | 3 | 6 | 4.5 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCC(=O)NC2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| CHEMBL30377 | 109130 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 551 | 13 | 3 | 6 | 4.5 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCC(=O)NC2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| 19875474 | 116423 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 509 | 12 | 2 | 6 | 4.2 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCN2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| CHEMBL2368531 | 116423 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 509 | 12 | 2 | 6 | 4.2 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCN2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| CHEMBL32237 | 116423 | 0 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 509 | 12 | 2 | 6 | 4.2 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCN2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| 18666327 | 91435 | 0 | None | - | 1 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 480 | 12 | 2 | 4 | 6.3 | O=C(O)CCc1ccccc1C[C@@H]1CCC[C@@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1016/S0960-894X(00)80329-7 | |||
| CHEMBL22244 | 91435 | 0 | None | - | 1 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 480 | 12 | 2 | 4 | 6.3 | O=C(O)CCc1ccccc1C[C@@H]1CCC[C@@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1016/S0960-894X(00)80329-7 | |||
| 44301207 | 108542 | 0 | None | - | 1 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 463 | 13 | 2 | 5 | 4.6 | CCCCCNC(=O)[C@@H]1COC(c2ccc(/C(=C\CCCCC(=O)O)c3cccnc3)cc2)=N1 | 10.1016/s0960-894x(98)00353-9 | |||
| CHEMBL299886 | 108542 | 0 | None | - | 1 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 463 | 13 | 2 | 5 | 4.6 | CCCCCNC(=O)[C@@H]1COC(c2ccc(/C(=C\CCCCC(=O)O)c3cccnc3)cc2)=N1 | 10.1016/s0960-894x(98)00353-9 | |||
| 54669848 | 72228 | 0 | None | 12 | 2 | Mouse | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 419 | 7 | 2 | 4 | 3.8 | CC1=C(O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)CC1=O | 10.1021/jm200980u | |||
| CHEMBL1829806 | 72228 | 0 | None | 12 | 2 | Mouse | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 419 | 7 | 2 | 4 | 3.8 | CC1=C(O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)CC1=O | 10.1021/jm200980u | |||
| 10546960 | 210134 | 0 | None | -13 | 3 | Mouse | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 367 | 8 | 2 | 3 | 2.9 | O=C(O)CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/jm200980u | |||
| CHEMBL65121 | 210134 | 0 | None | -13 | 3 | Mouse | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 367 | 8 | 2 | 3 | 2.9 | O=C(O)CCc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1021/jm200980u | |||
| 19875366 | 108481 | 0 | None | - | 1 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 412 | 8 | 2 | 5 | 3.3 | CC(C)NC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1021/jm00062a013 | |||
| CHEMBL29947 | 108481 | 0 | None | - | 1 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 412 | 8 | 2 | 5 | 3.3 | CC(C)NC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1021/jm00062a013 | |||
| 44461401 | 112402 | 0 | None | - | 1 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 454 | 15 | 3 | 4 | 5.6 | CCCCCC/C(S)=N/C/C(S)=N/CC1C2CC[C@@H](O2)C1C/C=C/CCCC(=O)O | 10.1021/jm00171a021 | |||
| CHEMBL312360 | 112402 | 0 | None | - | 1 | Human | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 454 | 15 | 3 | 4 | 5.6 | CCCCCC/C(S)=N/C/C(S)=N/CC1C2CC[C@@H](O2)C1C/C=C/CCCC(=O)O | 10.1021/jm00171a021 | |||
| 18675853 | 109972 | 0 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 510 | 12 | 2 | 6 | 5.1 | O=C(O)COc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| CHEMBL30832 | 109972 | 0 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 510 | 12 | 2 | 6 | 5.1 | O=C(O)COc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| 44458568 | 96223 | 0 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 466 | 9 | 2 | 4 | 5.4 | O=C(O)CCc1ccccc1C[C@H]1CCC[C@@H]1c1nc(C(=O)NCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80329-7 | |||
| CHEMBL23711 | 96223 | 0 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 466 | 9 | 2 | 4 | 5.4 | O=C(O)CCc1ccccc1C[C@H]1CCC[C@@H]1c1nc(C(=O)NCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80329-7 | |||
| 19875414 | 109586 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 520 | 12 | 2 | 5 | 5.1 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCc2ccc(F)cc2)co1 | 10.1021/jm00062a013 | |||
| CHEMBL30537 | 109586 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 520 | 12 | 2 | 5 | 5.1 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCc2ccc(F)cc2)co1 | 10.1021/jm00062a013 | |||
| 18944131 | 93970 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 484 | 10 | 2 | 6 | 4.0 | O=C(O)CCc1ccccc1CC1OCOC1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80330-3 | |||
| CHEMBL23273 | 93970 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 484 | 10 | 2 | 6 | 4.0 | O=C(O)CCc1ccccc1CC1OCOC1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80330-3 | |||
| 54669848 | 72228 | 0 | None | -12 | 2 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 419 | 7 | 2 | 4 | 3.8 | CC1=C(O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)CC1=O | 10.1021/jm200980u | |||
| CHEMBL1829806 | 72228 | 0 | None | -12 | 2 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 419 | 7 | 2 | 4 | 3.8 | CC1=C(O)C(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)CC1=O | 10.1021/jm200980u | |||
| 15462454 | 203820 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 515 | 13 | 2 | 5 | 6.9 | O=C(O)CCC/C=C(\c1ccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)cc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| CHEMBL56722 | 203820 | 0 | None | - | 1 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 515 | 13 | 2 | 5 | 6.9 | O=C(O)CCC/C=C(\c1ccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)cc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| 54758053 | 72223 | 0 | None | -17 | 2 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 391 | 8 | 2 | 5 | 2.2 | O=S(=O)(NCCc1cccc(CCc2nn[nH]n2)c1)c1ccc(Cl)cc1 | 10.1021/jm200980u | |||
| CHEMBL1829801 | 72223 | 0 | None | -17 | 2 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 391 | 8 | 2 | 5 | 2.2 | O=S(=O)(NCCc1cccc(CCc2nn[nH]n2)c1)c1ccc(Cl)cc1 | 10.1021/jm200980u | |||
| 54758054 | 72224 | 0 | None | -20 | 2 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 420 | 8 | 3 | 6 | 1.8 | O=c1c(O)c(NCc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)c1=O | 10.1021/jm200980u | |||
| CHEMBL1829802 | 72224 | 0 | None | -20 | 2 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 420 | 8 | 3 | 6 | 1.8 | O=c1c(O)c(NCc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)c1=O | 10.1021/jm200980u | |||
| 44280058 | 106101 | 0 | None | - | 1 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 536 | 12 | 2 | 5 | 6.3 | CC(C)(Cc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCC2CCCCC2)co1)C(=O)O | 10.1021/jm00062a013 | |||
| CHEMBL282186 | 106101 | 0 | None | - | 1 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 536 | 12 | 2 | 5 | 6.3 | CC(C)(Cc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCC2CCCCC2)co1)C(=O)O | 10.1021/jm00062a013 | |||
| 44295187 | 195519 | 0 | None | - | 1 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 351 | 9 | 2 | 3 | 3.3 | O=C(O)CCC/C=C\C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1 | 10.1016/S0960-894X(01)80794-0 | |||
| CHEMBL50507 | 195519 | 0 | None | - | 1 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 351 | 9 | 2 | 3 | 3.3 | O=C(O)CCC/C=C\C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1 | 10.1016/S0960-894X(01)80794-0 | |||
| 44458583 | 172496 | 0 | None | - | 1 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 466 | 10 | 2 | 4 | 5.4 | C/C(Cc1ccccc1CCC(=O)O)=C(\C)c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80329-7 | |||
| CHEMBL424587 | 172496 | 0 | None | - | 1 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 466 | 10 | 2 | 4 | 5.4 | C/C(Cc1ccccc1CCC(=O)O)=C(\C)c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80329-7 | |||
| 15462461 | 208403 | 0 | None | - | 1 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 483 | 11 | 2 | 5 | 4.6 | O=C(O)CCCC/C=C(\c1ccc(C2=N[C@H](C(=O)NCc3ccccc3)CO2)cc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| CHEMBL60587 | 208403 | 0 | None | - | 1 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 483 | 11 | 2 | 5 | 4.6 | O=C(O)CCCC/C=C(\c1ccc(C2=N[C@H](C(=O)NCc3ccccc3)CO2)cc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| 44329690 | 114255 | 0 | None | - | 1 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 385 | 9 | 3 | 4 | 3.8 | O=C(O)CCC/C=C\CC1C2CCC(O2)C1/C=N/NC(=O)Nc1ccccc1 | 10.1021/jm00113a030 | |||
| CHEMBL318426 | 114255 | 0 | None | - | 1 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 385 | 9 | 3 | 4 | 3.8 | O=C(O)CCC/C=C\CC1C2CCC(O2)C1/C=N/NC(=O)Nc1ccccc1 | 10.1021/jm00113a030 | |||
| 21865528 | 106239 | 5 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 440 | 11 | 2 | 5 | 4.1 | CCCCCNC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1016/S0960-894X(00)80330-3 | |||
| CHEMBL283100 | 106239 | 5 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 440 | 11 | 2 | 5 | 4.1 | CCCCCNC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1016/S0960-894X(00)80330-3 | |||
| 21865528 | 106239 | 5 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 440 | 11 | 2 | 5 | 4.1 | CCCCCNC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1021/jm00062a013 | |||
| CHEMBL283100 | 106239 | 5 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 440 | 11 | 2 | 5 | 4.1 | CCCCCNC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1021/jm00062a013 | |||
| 1987 | 8770 | 19 | None | 1 | 2 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 440 | 11 | 2 | 5 | 4.1 | CCCCCNC(=O)c1coc(n1)[C@@H]1[C@H]2CC[C@@H]([C@@H]1Cc1ccccc1CCC(=O)O)O2 | 10.1016/S0960-894X(00)80658-7 | |||
| 3037233 | 8770 | 19 | None | 1 | 2 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 440 | 11 | 2 | 5 | 4.1 | CCCCCNC(=O)c1coc(n1)[C@@H]1[C@H]2CC[C@@H]([C@@H]1Cc1ccccc1CCC(=O)O)O2 | 10.1016/S0960-894X(00)80658-7 | |||
| CHEMBL3301673 | 8770 | 19 | None | 1 | 2 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 440 | 11 | 2 | 5 | 4.1 | CCCCCNC(=O)c1coc(n1)[C@@H]1[C@H]2CC[C@@H]([C@@H]1Cc1ccccc1CCC(=O)O)O2 | 10.1016/S0960-894X(00)80658-7 | |||
| DB12321 | 8770 | 19 | None | 1 | 2 | Rat | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 440 | 11 | 2 | 5 | 4.1 | CCCCCNC(=O)c1coc(n1)[C@@H]1[C@H]2CC[C@@H]([C@@H]1Cc1ccccc1CCC(=O)O)O2 | 10.1016/S0960-894X(00)80658-7 | |||
| 44461226 | 212606 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 516 | 13 | 3 | 5 | 4.3 | CC(C)(C)c1ccc(SCC(=O)NCC(=O)NCC2C3CCC(O3)C2C/C=C/CCCC(=O)O)cc1 | 10.1021/jm00171a021 | |||
| CHEMBL83366 | 212606 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 516 | 13 | 3 | 5 | 4.3 | CC(C)(C)c1ccc(SCC(=O)NCC(=O)NCC2C3CCC(O3)C2C/C=C/CCCC(=O)O)cc1 | 10.1021/jm00171a021 | |||
| 44458582 | 172271 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 480 | 12 | 2 | 4 | 6.3 | O=C(O)CCc1ccccc1CC1CCC[C@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1016/S0960-894X(00)80329-7 | |||
| CHEMBL424031 | 172271 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 480 | 12 | 2 | 4 | 6.3 | O=C(O)CCc1ccccc1CC1CCC[C@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1016/S0960-894X(00)80329-7 | |||
| 14952432 | 112842 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 452 | 8 | 2 | 5 | 4.3 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NC2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| CHEMBL31334 | 112842 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 452 | 8 | 2 | 5 | 4.3 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NC2CCCCC2)co1 | 10.1021/jm00062a013 | |||
| 44279724 | 169399 | 0 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 464 | 12 | 2 | 5 | 4.1 | C#CCCCCCNC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1021/jm00062a013 | |||
| CHEMBL416943 | 169399 | 0 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 464 | 12 | 2 | 5 | 4.1 | C#CCCCCCNC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1021/jm00062a013 | |||
| 44279891 | 105949 | 0 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 494 | 11 | 2 | 5 | 4.7 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCC(F)(F)F)co1 | 10.1021/jm00062a013 | |||
| CHEMBL281293 | 105949 | 0 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 494 | 11 | 2 | 5 | 4.7 | O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)NCCCCC(F)(F)F)co1 | 10.1021/jm00062a013 | |||
| 13799389 | 212083 | 0 | None | - | 1 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 460 | 13 | 3 | 5 | 3.0 | O=C(O)CCC/C=C/CC1C2CCC(O2)C1CNC(=O)CNC(=O)CSc1ccccc1 | 10.1021/jm00171a021 | |||
| CHEMBL79278 | 212083 | 0 | None | - | 1 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 460 | 13 | 3 | 5 | 3.0 | O=C(O)CCC/C=C/CC1C2CCC(O2)C1CNC(=O)CNC(=O)CSc1ccccc1 | 10.1021/jm00171a021 | |||
| 71450971 | 86392 | 0 | None | - | 1 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 282 | 2 | 0 | 2 | 4.4 | CC1(C)C2CC[C@@H](Cc3cccc4ccc(=O)oc34)C1C2 | 10.1016/0960-894X(95)00284-Z | |||
| CHEMBL2114959 | 86392 | 0 | None | - | 1 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 282 | 2 | 0 | 2 | 4.4 | CC1(C)C2CC[C@@H](Cc3cccc4ccc(=O)oc34)C1C2 | 10.1016/0960-894X(95)00284-Z | |||
| 18944131 | 93970 | 0 | None | - | 1 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 484 | 10 | 2 | 6 | 4.0 | O=C(O)CCc1ccccc1CC1OCOC1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80330-3 | |||
| CHEMBL23273 | 93970 | 0 | None | - | 1 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 484 | 10 | 2 | 6 | 4.0 | O=C(O)CCc1ccccc1CC1OCOC1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80330-3 | |||
| 14952419 | 123307 | 0 | None | - | 1 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 384 | 7 | 2 | 5 | 2.6 | CNC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1021/jm00062a013 | |||
| CHEMBL33621 | 123307 | 0 | None | - | 1 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 384 | 7 | 2 | 5 | 2.6 | CNC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1021/jm00062a013 | |||
| 44387219 | 67300 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 324 | 11 | 1 | 3 | 4.3 | C=CCCSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | |||
| CHEMBL175751 | 67300 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 324 | 11 | 1 | 3 | 4.3 | C=CCCSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | |||
| 13799369 | 212347 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 436 | 16 | 3 | 4 | 3.6 | CCCCCCCC(=O)NCC(=O)NCC1C2CCC(O2)C1C/C=C/CCCC(=O)O | 10.1021/jm00171a021 | |||
| CHEMBL81263 | 212347 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 436 | 16 | 3 | 4 | 3.6 | CCCCCCCC(=O)NCC(=O)NCC1C2CCC(O2)C1C/C=C/CCCC(=O)O | 10.1021/jm00171a021 | |||
| 14952425 | 170040 | 0 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 510 | 16 | 2 | 5 | 6.1 | CCCCCCCCCCNC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1021/jm00062a013 | |||
| CHEMBL418585 | 170040 | 0 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 510 | 16 | 2 | 5 | 6.1 | CCCCCCCCCCNC(=O)c1coc(C2C3CCC(O3)C2Cc2ccccc2CCC(=O)O)n1 | 10.1021/jm00062a013 | |||
| 44301170 | 206808 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 531 | 14 | 2 | 5 | 6.2 | O=C(O)CCCC/C=C(/c1ccc(C2=N[C@@H](C(=O)NCCCCC3CCCCC3)CO2)cc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| CHEMBL59547 | 206808 | 0 | None | - | 1 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 531 | 14 | 2 | 5 | 6.2 | O=C(O)CCCC/C=C(/c1ccc(C2=N[C@@H](C(=O)NCCCCC3CCCCC3)CO2)cc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| 15458911 | 107707 | 0 | None | - | 1 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 529 | 14 | 2 | 5 | 7.3 | O=C(O)CCCC/C=C(/c1cccnc1)c1ccccc1-c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1016/s0960-894x(98)00353-9 | |||
| CHEMBL293971 | 107707 | 0 | None | - | 1 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 529 | 14 | 2 | 5 | 7.3 | O=C(O)CCCC/C=C(/c1cccnc1)c1ccccc1-c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1016/s0960-894x(98)00353-9 | |||
| 19838907 | 214537 | 0 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 423 | 8 | 3 | 5 | 3.3 | O=C(O)COc1ccccc1CC1C2CCC(O2)C1/C=N/NC(=O)Nc1ccccc1 | 10.1021/jm00113a030 | |||
| CHEMBL95884 | 214537 | 0 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 423 | 8 | 3 | 5 | 3.3 | O=C(O)COc1ccccc1CC1C2CCC(O2)C1/C=N/NC(=O)Nc1ccccc1 | 10.1021/jm00113a030 | |||
| 18944163 | 91826 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 492 | 10 | 2 | 4 | 5.9 | O=C(O)CCc1ccccc1CC1=C(c2nc(C(=O)NCCc3ccc(Cl)cc3)co2)CCCC1 | 10.1016/S0960-894X(00)80329-7 | |||
| CHEMBL22418 | 91826 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 492 | 10 | 2 | 4 | 5.9 | O=C(O)CCc1ccccc1CC1=C(c2nc(C(=O)NCCc3ccc(Cl)cc3)co2)CCCC1 | 10.1016/S0960-894X(00)80329-7 | |||
| 15462456 | 204769 | 0 | None | - | 1 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 529 | 14 | 2 | 5 | 7.3 | O=C(O)CCCC/C=C(\c1cccnc1)c1cccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)c1 | 10.1016/s0960-894x(98)00353-9 | |||
| CHEMBL57359 | 204769 | 0 | None | - | 1 | Human | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 529 | 14 | 2 | 5 | 7.3 | O=C(O)CCCC/C=C(\c1cccnc1)c1cccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)c1 | 10.1016/s0960-894x(98)00353-9 | |||
| 44295061 | 195700 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 311 | 10 | 2 | 3 | 2.6 | O=C(O)CCC/C=C/CCCNS(=O)(=O)c1ccccc1 | 10.1016/S0960-894X(01)80794-0 | |||
| CHEMBL50785 | 195700 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 311 | 10 | 2 | 3 | 2.6 | O=C(O)CCC/C=C/CCCNS(=O)(=O)c1ccccc1 | 10.1016/S0960-894X(01)80794-0 | |||
| 44295209 | 108645 | 0 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 351 | 9 | 2 | 3 | 3.3 | O=C(O)CCC/C=C\C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1 | 10.1016/S0960-894X(01)80794-0 | |||
| CHEMBL300681 | 108645 | 0 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 351 | 9 | 2 | 3 | 3.3 | O=C(O)CCC/C=C\C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1 | 10.1016/S0960-894X(01)80794-0 | |||
| 71454591 | 86488 | 0 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 509 | 11 | 2 | 6 | 4.7 | O=C(O)CCc1ccccc1C(=O)N1C(=O)CCC1c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1016/S0960-894X(00)80328-5 | |||
| CHEMBL2115542 | 86488 | 0 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 509 | 11 | 2 | 6 | 4.7 | O=C(O)CCc1ccccc1C(=O)N1C(=O)CCC1c1nc(C(=O)NCCCCC2CCCCC2)co1 | 10.1016/S0960-894X(00)80328-5 | |||
| 44387220 | 69166 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 310 | 10 | 1 | 3 | 3.9 | C=CCSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | |||
| CHEMBL177949 | 69166 | 0 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 310 | 10 | 1 | 3 | 3.9 | C=CCSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | |||
| 15462460 | 208623 | 0 | None | - | 1 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 445 | 11 | 2 | 5 | 5.0 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCC3CC3)co2)cc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| CHEMBL60710 | 208623 | 0 | None | - | 1 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 445 | 11 | 2 | 5 | 5.0 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCC3CC3)co2)cc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| 44210947 | 105892 | 0 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 498 | 10 | 2 | 6 | 4.2 | O=C(O)CCc1ccccc1CC1COCOC1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80330-3 | |||
| CHEMBL280890 | 105892 | 0 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 498 | 10 | 2 | 6 | 4.2 | O=C(O)CCc1ccccc1CC1COCOC1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80330-3 | |||
| 18944131 | 93970 | 0 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 484 | 10 | 2 | 6 | 4.0 | O=C(O)CCc1ccccc1CC1OCOC1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80330-3 | |||
| CHEMBL23273 | 93970 | 0 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 484 | 10 | 2 | 6 | 4.0 | O=C(O)CCc1ccccc1CC1OCOC1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 | 10.1016/S0960-894X(00)80330-3 | |||
| 13799367 | 212452 | 0 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 450 | 17 | 3 | 4 | 4.0 | CCCCCCCCC(=O)NCC(=O)NCC1C2CCC(O2)C1C/C=C/CCCC(=O)O | 10.1021/jm00171a021 | |||
| CHEMBL82146 | 212452 | 0 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 450 | 17 | 3 | 4 | 4.0 | CCCCCCCCC(=O)NCC(=O)NCC1C2CCC(O2)C1C/C=C/CCCC(=O)O | 10.1021/jm00171a021 | |||
| 5284442 | 103950 | 30 | None | -1 | 2 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 281 | 7 | 1 | 2 | 4.2 | O=C(O)CCCC/C=C(\c1ccccc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| CHEMBL26820 | 103950 | 30 | None | -1 | 2 | Human | 5.1 | pKd | = | 5.1 | Binding | ChEMBL | 281 | 7 | 1 | 2 | 4.2 | O=C(O)CCCC/C=C(\c1ccccc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| 44301140 | 107857 | 0 | None | - | 1 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 531 | 14 | 2 | 5 | 6.2 | O=C(O)CCCC/C=C(\c1cccnc1)c1cccc(C2=N[C@@H](C(=O)NCCCCC3CCCCC3)CO2)c1 | 10.1016/s0960-894x(98)00353-9 | |||
| CHEMBL294850 | 107857 | 0 | None | - | 1 | Human | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 531 | 14 | 2 | 5 | 6.2 | O=C(O)CCCC/C=C(\c1cccnc1)c1cccc(C2=N[C@@H](C(=O)NCCCCC3CCCCC3)CO2)c1 | 10.1016/s0960-894x(98)00353-9 | |||
| 9958626 | 108480 | 0 | None | - | 1 | Human | 8.0 | pKd | = | 8 | Binding | ChEMBL | 529 | 14 | 2 | 5 | 7.3 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)cc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| CHEMBL299467 | 108480 | 0 | None | - | 1 | Human | 8.0 | pKd | = | 8 | Binding | ChEMBL | 529 | 14 | 2 | 5 | 7.3 | O=C(O)CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)cc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| 15852309 | 169995 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 501 | 12 | 2 | 5 | 6.5 | O=C(O)CC/C=C(\c1ccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)cc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| CHEMBL418323 | 169995 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 501 | 12 | 2 | 5 | 6.5 | O=C(O)CC/C=C(\c1ccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)cc1)c1cccnc1 | 10.1016/s0960-894x(98)00353-9 | |||
| 44385711 | 67231 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 312 | 10 | 1 | 3 | 4.1 | CCCSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | |||
| CHEMBL175303 | 67231 | 0 | None | - | 1 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 312 | 10 | 1 | 3 | 4.1 | CCCSCC1C2CCC(O2)C1C/C=C\CCCC(=O)O | 10.1021/jm00125a009 | |||
| 123879 | 10060 | 82 | None | 3 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1016/j.bmcl.2010.11.015 | |||
| 1910 | 10060 | 82 | None | 3 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1016/j.bmcl.2010.11.015 | |||
| 1911 | 10060 | 82 | None | 3 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1016/j.bmcl.2010.11.015 | |||
| 2354 | 10060 | 82 | None | 3 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL361812 | 10060 | 82 | None | 3 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1016/j.bmcl.2010.11.015 | |||
| DB13036 | 10060 | 82 | None | 3 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1016/j.bmcl.2010.11.015 | |||
| 11597294 | 172955 | 4 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 435 | 4 | 1 | 2 | 5.7 | O=C(O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21 | 10.1021/jm0603668 | |||
| CHEMBL426387 | 172955 | 4 | None | 1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 435 | 4 | 1 | 2 | 5.7 | O=C(O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21 | 10.1021/jm0603668 | |||
| 10369249 | 174651 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 515 | 6 | 2 | 5 | 5.7 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc(C(=O)NCc4ccccc4)ccc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL431075 | 174651 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 515 | 6 | 2 | 5 | 5.7 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc(C(=O)NCc4ccccc4)ccc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 14372497 | 84081 | 0 | None | 6 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 389 | 4 | 1 | 2 | 5.5 | O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(F)cc(F)cc21 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL208260 | 84081 | 0 | None | 6 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 389 | 4 | 1 | 2 | 5.5 | O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(F)cc(F)cc21 | 10.1016/j.bmcl.2006.02.062 | |||
| 10365193 | 172512 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 4.7 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc([N+](=O)[O-])ccc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL424621 | 172512 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 4.7 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc([N+](=O)[O-])ccc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 10094735 | 16939 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 439 | 6 | 2 | 5 | 4.9 | Cc1ccsc1C(=O)NCCSC1c2ccccc2COc2ccc(C(=O)O)cc21 | 10.1021/jm00096a016 | |||
| CHEMBL115924 | 16939 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 439 | 6 | 2 | 5 | 4.9 | Cc1ccsc1C(=O)NCCSC1c2ccccc2COc2ccc(C(=O)O)cc21 | 10.1021/jm00096a016 | |||
| 9984004 | 18099 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 515 | 6 | 2 | 5 | 5.7 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ccc(C(=O)NCc4ccccc4)cc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL117943 | 18099 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 515 | 6 | 2 | 5 | 5.7 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ccc(C(=O)NCc4ccccc4)cc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 11495634 | 21677 | 13 | None | -1 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 405 | 6 | 1 | 3 | 5.4 | O=C(O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1 | 10.1016/j.bmcl.2009.02.112 | |||
| CHEMBL1207972 | 21677 | 13 | None | -1 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 405 | 6 | 1 | 3 | 5.4 | O=C(O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1 | 10.1016/j.bmcl.2009.02.112 | |||
| CHEMBL467114 | 21677 | 13 | None | -1 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 405 | 6 | 1 | 3 | 5.4 | O=C(O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1 | 10.1016/j.bmcl.2009.02.112 | |||
| 10094735 | 16939 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 439 | 6 | 2 | 5 | 4.9 | Cc1ccsc1C(=O)NCCSC1c2ccccc2COc2ccc(C(=O)O)cc21 | 10.1021/jm00096a016 | |||
| CHEMBL115924 | 16939 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 439 | 6 | 2 | 5 | 4.9 | Cc1ccsc1C(=O)NCCSC1c2ccccc2COc2ccc(C(=O)O)cc21 | 10.1021/jm00096a016 | |||
| 53323267 | 63598 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 402 | 5 | 2 | 4 | 2.7 | O=C(O)Cc1c2n(c3ccccc13)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2 | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL1643785 | 63598 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 402 | 5 | 2 | 4 | 2.7 | O=C(O)Cc1c2n(c3ccccc13)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2 | 10.1016/j.bmcl.2010.11.015 | |||
| 9868012 | 130627 | 0 | None | -50 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 420 | 6 | 1 | 3 | 7.0 | O=C(O)c1cccc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 | 10.1016/j.bmcl.2004.12.005 | |||
| CHEMBL362543 | 130627 | 0 | None | -50 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 420 | 6 | 1 | 3 | 7.0 | O=C(O)c1cccc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 | 10.1016/j.bmcl.2004.12.005 | |||
| 44411552 | 83861 | 0 | None | -24 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 524 | 6 | 1 | 4 | 4.9 | CN(C)S(=O)(=O)c1cc(Br)c2c(c1)c1c(n2Cc2ccc(Cl)cc2)C(CC(=O)O)CC1 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL207451 | 83861 | 0 | None | -24 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 524 | 6 | 1 | 4 | 4.9 | CN(C)S(=O)(=O)c1cc(Br)c2c(c1)c1c(n2Cc2ccc(Cl)cc2)C(CC(=O)O)CC1 | 10.1016/j.bmcl.2006.02.062 | |||
| 10548754 | 23155 | 0 | None | -154 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 396 | 2 | 4 | 4 | 2.7 | Nc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | |||
| CHEMBL122990 | 23155 | 0 | None | -154 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 396 | 2 | 4 | 4 | 2.7 | Nc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | |||
| 53321924 | 63609 | 0 | None | -190 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 432 | 5 | 1 | 4 | 3.6 | CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL1643796 | 63609 | 0 | None | -190 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 432 | 5 | 1 | 4 | 3.6 | CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| 35028115 | 148777 | 5 | None | -109 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@H](CC(=O)O)CC3 | 10.1021/jm0603668 | |||
| CHEMBL387477 | 148777 | 5 | None | -109 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@H](CC(=O)O)CC3 | 10.1021/jm0603668 | |||
| 3078930 | 171681 | 5 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 449 | 7 | 2 | 5 | 4.5 | COc1ccccc1C(=O)NCCSC1c2ccccc2COc2ccc(C(=O)O)cc21 | 10.1021/jm00096a016 | |||
| CHEMBL422253 | 171681 | 5 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 449 | 7 | 2 | 5 | 4.5 | COc1ccccc1C(=O)NCCSC1c2ccccc2COc2ccc(C(=O)O)cc21 | 10.1021/jm00096a016 | |||
| 10047807 | 16565 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 421 | 5 | 2 | 4 | 3.7 | O=C(O)c1ccc2c(c1)/C(=C/CNS(=O)(=O)c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL113670 | 16565 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 421 | 5 | 2 | 4 | 3.7 | O=C(O)c1ccc2c(c1)/C(=C/CNS(=O)(=O)c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 3078930 | 171681 | 5 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 449 | 7 | 2 | 5 | 4.5 | COc1ccccc1C(=O)NCCSC1c2ccccc2COc2ccc(C(=O)O)cc21 | 10.1021/jm00096a016 | |||
| CHEMBL422253 | 171681 | 5 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 449 | 7 | 2 | 5 | 4.5 | COc1ccccc1C(=O)NCCSC1c2ccccc2COc2ccc(C(=O)O)cc21 | 10.1021/jm00096a016 | |||
| 14953108 | 104991 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 418 | 6 | 1 | 3 | 5.0 | CC(C)(CC(=O)O)Cc1nc2ccccc2n1Cc1ccc(Br)cc1F | 10.1021/jm00061a008 | |||
| CHEMBL274287 | 104991 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 418 | 6 | 1 | 3 | 5.0 | CC(C)(CC(=O)O)Cc1nc2ccccc2n1Cc1ccc(Br)cc1F | 10.1021/jm00061a008 | |||
| 10181442 | 103114 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | CS(=O)(=O)c1cc(F)cc2c1c(Cc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL261501 | 103114 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | CS(=O)(=O)c1cc(F)cc2c1c(Cc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| 44411606 | 83928 | 0 | None | -112 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 442 | 5 | 1 | 5 | 4.1 | CS(=O)(=O)c1cc(C#N)c2c(c1)c1c(n2Cc2ccc(Cl)cc2)C(CC(=O)O)CC1 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL207805 | 83928 | 0 | None | -112 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 442 | 5 | 1 | 5 | 4.1 | CS(=O)(=O)c1cc(C#N)c2c(c1)c1c(n2Cc2ccc(Cl)cc2)C(CC(=O)O)CC1 | 10.1016/j.bmcl.2006.02.062 | |||
| 9895436 | 113793 | 0 | None | -61 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 628 | 8 | 1 | 4 | 7.4 | CC(C)(Cc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(99)00465-5 | |||
| CHEMBL315391 | 113793 | 0 | None | -61 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 628 | 8 | 1 | 4 | 7.4 | CC(C)(Cc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(99)00465-5 | |||
| 44338286 | 13002 | 0 | None | -85 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 422 | 6 | 1 | 4 | 6.3 | CC(C)(O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| CHEMBL108146 | 13002 | 0 | None | -85 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 422 | 6 | 1 | 4 | 6.3 | CC(C)(O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| 10024655 | 117373 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 4.8 | COc1ccc2ncn(C/C=C3\c4ccccc4COc4ccc(C(=O)O)cc43)c2c1 | 10.1021/jm00096a017 | |||
| CHEMBL325523 | 117373 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 4.8 | COc1ccc2ncn(C/C=C3\c4ccccc4COc4ccc(C(=O)O)cc43)c2c1 | 10.1021/jm00096a017 | |||
| 14953092 | 67224 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 424 | 6 | 1 | 3 | 6.1 | CC(C)(CC(=O)O)Cc1nc2cc(Cl)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1021/jm00061a008 | |||
| CHEMBL17528 | 67224 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 424 | 6 | 1 | 3 | 6.1 | CC(C)(CC(=O)O)Cc1nc2cc(Cl)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1021/jm00061a008 | |||
| 14953089 | 67836 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 418 | 6 | 1 | 3 | 5.0 | CC(C)(CC(=O)O)Cc1nc2cc(F)ccc2n1Cc1ccc(Br)cc1 | 10.1021/jm00061a008 | |||
| CHEMBL17640 | 67836 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 418 | 6 | 1 | 3 | 5.0 | CC(C)(CC(=O)O)Cc1nc2cc(F)ccc2n1Cc1ccc(Br)cc1 | 10.1021/jm00061a008 | |||
| 10207799 | 71849 | 0 | None | -28 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 7.3 | OC(c1cncc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1)C(F)(F)F | 10.1016/j.bmcl.2004.12.005 | |||
| CHEMBL182368 | 71849 | 0 | None | -28 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 475 | 6 | 1 | 4 | 7.3 | OC(c1cncc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1)C(F)(F)F | 10.1016/j.bmcl.2004.12.005 | |||
| 44392527 | 129679 | 0 | None | -97 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 524 | 8 | 1 | 4 | 8.2 | CC(NC(=O)c1cccc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1)c1cccnc1 | 10.1016/j.bmcl.2004.12.005 | |||
| CHEMBL360592 | 129679 | 0 | None | -97 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 524 | 8 | 1 | 4 | 8.2 | CC(NC(=O)c1cccc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1)c1cccnc1 | 10.1016/j.bmcl.2004.12.005 | |||
| 11408533 | 148105 | 0 | None | -467 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 459 | 6 | 1 | 5 | 4.5 | CC(=O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL383484 | 148105 | 0 | None | -467 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 459 | 6 | 1 | 5 | 4.5 | CC(=O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1016/j.bmcl.2006.02.062 | |||
| 11408533 | 148105 | 0 | None | -467 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 459 | 6 | 1 | 5 | 4.5 | CC(=O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1021/jm0603668 | |||
| CHEMBL383484 | 148105 | 0 | None | -467 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 459 | 6 | 1 | 5 | 4.5 | CC(=O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1021/jm0603668 | |||
| 11189801 | 196391 | 0 | None | -5888 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 436 | 5 | 1 | 6 | 4.2 | CS(=O)(=O)c1nccc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL514802 | 196391 | 0 | None | -5888 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 436 | 5 | 1 | 6 | 4.2 | CS(=O)(=O)c1nccc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 53323268 | 63601 | 0 | None | -251 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 456 | 7 | 1 | 4 | 3.8 | O=C(O)Cc1c2n(c3ccccc13)C[C@H](N(CC1CC1)S(=O)(=O)c1ccc(F)cc1)CC2 | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL1643788 | 63601 | 0 | None | -251 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 456 | 7 | 1 | 4 | 3.8 | O=C(O)Cc1c2n(c3ccccc13)C[C@H](N(CC1CC1)S(=O)(=O)c1ccc(F)cc1)CC2 | 10.1016/j.bmcl.2010.11.015 | |||
| 14953096 | 71044 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 434 | 6 | 1 | 3 | 5.5 | CC(C)(CC(=O)O)Cc1nc2cc(Cl)ccc2n1Cc1ccc(Br)cc1 | 10.1021/jm00061a008 | |||
| CHEMBL18093 | 71044 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 434 | 6 | 1 | 3 | 5.5 | CC(C)(CC(=O)O)Cc1nc2cc(Cl)ccc2n1Cc1ccc(Br)cc1 | 10.1021/jm00061a008 | |||
| 44591807 | 199346 | 0 | None | -6 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 448 | 5 | 1 | 4 | 7.0 | CC(C)c1ccnc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL521290 | 199346 | 0 | None | -6 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 448 | 5 | 1 | 4 | 7.0 | CC(C)c1ccnc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 16049493 | 85045 | 0 | None | -75 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 415 | 5 | 1 | 3 | 5.0 | C[S@+]([O-])c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CCC3 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL210707 | 85045 | 0 | None | -75 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 415 | 5 | 1 | 3 | 5.0 | C[S@+]([O-])c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CCC3 | 10.1016/j.bmcl.2006.02.062 | |||
| 10409291 | 170645 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 410 | 3 | 1 | 4 | 5.4 | Cc1cc2ncn(C/C=C3\c4cc(C(=O)O)ccc4COc4ccccc43)c2cc1C | 10.1021/jm00096a017 | |||
| CHEMBL420678 | 170645 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 410 | 3 | 1 | 4 | 5.4 | Cc1cc2ncn(C/C=C3\c4cc(C(=O)O)ccc4COc4ccccc43)c2cc1C | 10.1021/jm00096a017 | |||
| 51550 | 212529 | 14 | None | -11 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 335 | 8 | 2 | 4 | 1.7 | O=C(O)COc1ccc(CCNS(=O)(=O)c2ccccc2)cc1 | 10.1021/jm00096a016 | |||
| CHEMBL8273 | 212529 | 14 | None | -11 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 335 | 8 | 2 | 4 | 1.7 | O=C(O)COc1ccc(CCNS(=O)(=O)c2ccccc2)cc1 | 10.1021/jm00096a016 | |||
| 51550 | 212529 | 14 | None | -11 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 335 | 8 | 2 | 4 | 1.7 | O=C(O)COc1ccc(CCNS(=O)(=O)c2ccccc2)cc1 | 10.1021/jm00096a016 | |||
| CHEMBL8273 | 212529 | 14 | None | -11 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 335 | 8 | 2 | 4 | 1.7 | O=C(O)COc1ccc(CCNS(=O)(=O)c2ccccc2)cc1 | 10.1021/jm00096a016 | |||
| 53321923 | 63594 | 0 | None | -234 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 484 | 5 | 1 | 4 | 4.4 | CN([C@@H]1CCc2c(CC(=O)O)c3c(Cl)cc(Cl)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL1643781 | 63594 | 0 | None | -234 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 484 | 5 | 1 | 4 | 4.4 | CN([C@@H]1CCc2c(CC(=O)O)c3c(Cl)cc(Cl)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| 53322785 | 63603 | 0 | None | -363 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 484 | 6 | 1 | 4 | 4.0 | O=C(O)Cc1c2n(c3ccccc13)C[C@H](N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1)CC2 | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL1643790 | 63603 | 0 | None | -363 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 484 | 6 | 1 | 4 | 4.0 | O=C(O)Cc1c2n(c3ccccc13)C[C@H](N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1)CC2 | 10.1016/j.bmcl.2010.11.015 | |||
| 10136631 | 168013 | 1 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 415 | 5 | 1 | 3 | 6.4 | O=C(O)CC1CCn2c1c(Sc1ccc(Cl)cc1)c1c(C3CC3)cc(F)cc12 | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL411847 | 168013 | 1 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 415 | 5 | 1 | 3 | 6.4 | O=C(O)CC1CCn2c1c(Sc1ccc(Cl)cc1)c1c(C3CC3)cc(F)cc12 | 10.1016/j.bmcl.2008.03.015 | |||
| 11384493 | 10609 | 38 | None | -1071 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 416 | 5 | 1 | 4 | 3.0 | OC(=O)Cn1c2CCC(Cc2c2c1cccc2)N(S(=O)(=O)c1ccc(cc1)F)C | 10.1016/j.bmcl.2010.11.015 | |||
| 1905 | 10609 | 38 | None | -1071 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 416 | 5 | 1 | 4 | 3.0 | OC(=O)Cn1c2CCC(Cc2c2c1cccc2)N(S(=O)(=O)c1ccc(cc1)F)C | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL1643768 | 10609 | 38 | None | -1071 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 416 | 5 | 1 | 4 | 3.0 | OC(=O)Cn1c2CCC(Cc2c2c1cccc2)N(S(=O)(=O)c1ccc(cc1)F)C | 10.1016/j.bmcl.2010.11.015 | |||
| 11755897 | 16761 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 505 | 7 | 2 | 5 | 5.2 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccc3ccccc3c1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL114838 | 16761 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 505 | 7 | 2 | 5 | 5.2 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccc3ccccc3c1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 10028935 | 118108 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 4.0 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL326808 | 118108 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 4.0 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 11269563 | 148388 | 0 | None | -12 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 399 | 5 | 1 | 3 | 5.2 | CC(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1021/jm0603668 | |||
| CHEMBL385126 | 148388 | 0 | None | -12 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 399 | 5 | 1 | 3 | 5.2 | CC(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1021/jm0603668 | |||
| 11755897 | 16761 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 505 | 7 | 2 | 5 | 5.2 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccc3ccccc3c1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL114838 | 16761 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 505 | 7 | 2 | 5 | 5.2 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccc3ccccc3c1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 10028935 | 118108 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 4.0 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL326808 | 118108 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 4.0 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 44392460 | 130723 | 0 | None | -11 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 421 | 6 | 1 | 4 | 6.4 | O=C(O)c1cccc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)n1 | 10.1016/j.bmcl.2004.12.005 | |||
| CHEMBL362851 | 130723 | 0 | None | -11 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 421 | 6 | 1 | 4 | 6.4 | O=C(O)c1cccc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)n1 | 10.1016/j.bmcl.2004.12.005 | |||
| 44411890 | 84052 | 0 | None | -36 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 491 | 7 | 1 | 3 | 6.5 | O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c([S+]([O-])Cc3ccccc3)cccc21 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL208083 | 84052 | 0 | None | -36 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 491 | 7 | 1 | 3 | 6.5 | O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c([S+]([O-])Cc3ccccc3)cccc21 | 10.1016/j.bmcl.2006.02.062 | |||
| 14953120 | 66344 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 372 | 4 | 1 | 3 | 4.8 | O=C(O)[C@H]1CCC[C@@H]1c1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1 | 10.1021/jm00061a008 | |||
| CHEMBL17178 | 66344 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 372 | 4 | 1 | 3 | 4.8 | O=C(O)[C@H]1CCC[C@@H]1c1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1 | 10.1021/jm00061a008 | |||
| 10789142 | 120971 | 0 | None | -190 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 438 | 3 | 4 | 4 | 3.1 | CC(=O)Nc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | |||
| CHEMBL332964 | 120971 | 0 | None | -190 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 438 | 3 | 4 | 4 | 3.1 | CC(=O)Nc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | |||
| 10074701 | 176857 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 4.0 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL444330 | 176857 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 4.0 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 9978044 | 16875 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 396 | 3 | 1 | 4 | 5.1 | Cc1ccc2c(c1)ncn2C/C=C1\c2ccccc2COc2ccc(C(=O)O)cc21 | 10.1021/jm00096a017 | |||
| CHEMBL115536 | 16875 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 396 | 3 | 1 | 4 | 5.1 | Cc1ccc2c(c1)ncn2C/C=C1\c2ccccc2COc2ccc(C(=O)O)cc21 | 10.1021/jm00096a017 | |||
| 15025390 | 21571 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 382 | 3 | 1 | 4 | 4.8 | O=C(O)c1ccc2c(c1)/C(=C\Cn1cnc3ccccc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL1206916 | 21571 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 382 | 3 | 1 | 4 | 4.8 | O=C(O)c1ccc2c(c1)/C(=C\Cn1cnc3ccccc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL324972 | 21571 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 382 | 3 | 1 | 4 | 4.8 | O=C(O)c1ccc2c(c1)/C(=C\Cn1cnc3ccccc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 10093386 | 120172 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 416 | 3 | 1 | 4 | 5.4 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ccc(Cl)cc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL331833 | 120172 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 416 | 3 | 1 | 4 | 5.4 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ccc(Cl)cc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 71460870 | 89348 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 396 | 4 | 1 | 4 | 4.7 | O=C(O)Cc1ccc2c(c1)/C(=C/Cn1cnc3ccccc31)c1ccccc1CO2 | 10.1021/jm300682j | |||
| CHEMBL2178581 | 89348 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 396 | 4 | 1 | 4 | 4.7 | O=C(O)Cc1ccc2c(c1)/C(=C/Cn1cnc3ccccc31)c1ccccc1CO2 | 10.1021/jm300682j | |||
| 10249316 | 78991 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 382 | 3 | 1 | 4 | 4.8 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ccccc31)c1ccccc1CO2 | 10.1021/jm058225d | |||
| CHEMBL198104 | 78991 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 382 | 3 | 1 | 4 | 4.8 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ccccc31)c1ccccc1CO2 | 10.1021/jm058225d | |||
| 10074701 | 176857 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 4.0 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL444330 | 176857 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 500 | 8 | 2 | 7 | 4.0 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 14953088 | 105458 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 436 | 6 | 1 | 3 | 5.2 | CC(C)(CC(=O)O)Cc1nc2cc(F)ccc2n1Cc1ccc(Br)cc1F | 10.1021/jm00061a008 | |||
| CHEMBL277516 | 105458 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 436 | 6 | 1 | 3 | 5.2 | CC(C)(CC(=O)O)Cc1nc2cc(F)ccc2n1Cc1ccc(Br)cc1F | 10.1021/jm00061a008 | |||
| 10406932 | 105792 | 1 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 371 | 4 | 1 | 2 | 5.4 | O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21 | 10.1021/jm00061a008 | |||
| CHEMBL280107 | 105792 | 1 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 371 | 4 | 1 | 2 | 5.4 | O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccc(F)cc21 | 10.1021/jm00061a008 | |||
| 9910826 | 73066 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 7 | 1 | 3 | 6.9 | O=C(O)Cc1cccc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 | 10.1016/j.bmcl.2004.12.005 | |||
| CHEMBL184779 | 73066 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 7 | 1 | 3 | 6.9 | O=C(O)Cc1cccc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 | 10.1016/j.bmcl.2004.12.005 | |||
| 11318288 | 74726 | 0 | None | 5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 516 | 10 | 2 | 5 | 6.2 | O=C(O)COc1cccc2c(CCSC(c3ccccc3)(c3ccccc3)C(F)(F)F)c(CO)oc12 | 10.1021/jm050194z | |||
| CHEMBL191118 | 74726 | 0 | None | 5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 516 | 10 | 2 | 5 | 6.2 | O=C(O)COc1cccc2c(CCSC(c3ccccc3)(c3ccccc3)C(F)(F)F)c(CO)oc12 | 10.1021/jm050194z | |||
| 44338263 | 14099 | 0 | None | -5 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 408 | 6 | 1 | 4 | 6.1 | CC(O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| CHEMBL108616 | 14099 | 0 | None | -5 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 408 | 6 | 1 | 4 | 6.1 | CC(O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| 44338272 | 14621 | 0 | None | -4 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 436 | 7 | 0 | 5 | 5.7 | COC(=O)Cc1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| CHEMBL108979 | 14621 | 0 | None | -4 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 436 | 7 | 0 | 5 | 5.7 | COC(=O)Cc1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| 9939791 | 168697 | 0 | None | -125 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 684 | 8 | 1 | 5 | 7.2 | CO[C@](C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1)(c1ccccc1)C(F)(F)F | 10.1016/s0960-894x(99)00465-5 | |||
| CHEMBL415310 | 168697 | 0 | None | -125 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 684 | 8 | 1 | 5 | 7.2 | CO[C@](C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1)(c1ccccc1)C(F)(F)F | 10.1016/s0960-894x(99)00465-5 | |||
| 53324589 | 63587 | 0 | None | -891 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 484 | 5 | 1 | 4 | 4.1 | CN([C@@H]1CCc2c(CC(=O)O)c3ccc(C(F)(F)F)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL1643775 | 63587 | 0 | None | -891 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 484 | 5 | 1 | 4 | 4.1 | CN([C@@H]1CCc2c(CC(=O)O)c3ccc(C(F)(F)F)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| 53317718 | 63602 | 0 | None | -1122 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 510 | 7 | 1 | 4 | 4.8 | O=C(O)Cc1c2n(c3ccccc13)C[C@H](N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)CC2 | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL1643789 | 63602 | 0 | None | -1122 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 510 | 7 | 1 | 4 | 4.8 | O=C(O)Cc1c2n(c3ccccc13)C[C@H](N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)CC2 | 10.1016/j.bmcl.2010.11.015 | |||
| 44364273 | 49001 | 8 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@H](O)/C=C/[C@H]1C2COC(C2)[C@@H]1C/C=C\CCCC(=O)O | 10.1021/jm8007618 | |||
| CHEMBL149724 | 49001 | 8 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@H](O)/C=C/[C@H]1C2COC(C2)[C@@H]1C/C=C\CCCC(=O)O | 10.1021/jm8007618 | |||
| 14953104 | 105166 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 400 | 6 | 1 | 3 | 4.9 | CC(C)(CC(=O)O)Cc1nc2ccccc2n1Cc1ccc(Br)cc1 | 10.1021/jm00061a008 | |||
| CHEMBL275382 | 105166 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 400 | 6 | 1 | 3 | 4.9 | CC(C)(CC(=O)O)Cc1nc2ccccc2n1Cc1ccc(Br)cc1 | 10.1021/jm00061a008 | |||
| 14953080 | 67045 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 384 | 8 | 1 | 3 | 5.6 | CCC(CC)(CC(=O)O)Cc1nc2ccccc2n1Cc1ccc(Cl)cc1 | 10.1021/jm00061a008 | |||
| CHEMBL17418 | 67045 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 384 | 8 | 1 | 3 | 5.6 | CCC(CC)(CC(=O)O)Cc1nc2ccccc2n1Cc1ccc(Cl)cc1 | 10.1021/jm00061a008 | |||
| 22083972 | 145952 | 0 | None | -1862 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 461 | 6 | 2 | 5 | 4.3 | CC(O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CC3 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL378744 | 145952 | 0 | None | -1862 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 461 | 6 | 2 | 5 | 4.3 | CC(O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CC3 | 10.1016/j.bmcl.2006.02.062 | |||
| 65772 | 67177 | 8 | None | -9 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm960208o | |||
| CHEMBL174984 | 67177 | 8 | None | -9 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm960208o | |||
| 10742144 | 66431 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 449 | 8 | 2 | 6 | 4.5 | COc1cc(CC2c3cc(O)c(O)cc3CCN2CCc2ccccc2)cc(OC)c1OC | 10.1021/jm950896w | |||
| CHEMBL172163 | 66431 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 449 | 8 | 2 | 6 | 4.5 | COc1cc(CC2c3cc(O)c(O)cc3CCN2CCc2ccccc2)cc(OC)c1OC | 10.1021/jm950896w | |||
| 10074062 | 16723 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 484 | 5 | 1 | 4 | 6.9 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc(-c3ccccc3)c1-c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL114666 | 16723 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 484 | 5 | 1 | 4 | 6.9 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc(-c3ccccc3)c1-c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 11476788 | 168053 | 0 | None | -1 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 463 | 5 | 1 | 5 | 4.4 | CS(=O)(=O)c1cc(F)cc2c1c(C(=O)c1ccc(Cl)cc1)c1n2CCC[C@@H]1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL412070 | 168053 | 0 | None | -1 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 463 | 5 | 1 | 5 | 4.4 | CS(=O)(=O)c1cc(F)cc2c1c(C(=O)c1ccc(Cl)cc1)c1n2CCC[C@@H]1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| 44591513 | 190876 | 0 | None | -1862 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 420 | 5 | 1 | 4 | 6.0 | CCc1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL482550 | 190876 | 0 | None | -1862 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 420 | 5 | 1 | 4 | 6.0 | CCc1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 10458078 | 117211 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 485 | 8 | 2 | 6 | 4.1 | COc1ccc(S(=O)(=O)NCCSC2c3ccccc3COc3ccc(C(=O)O)cc32)cc1 | 10.1021/jm00096a016 | |||
| CHEMBL324583 | 117211 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 485 | 8 | 2 | 6 | 4.1 | COc1ccc(S(=O)(=O)NCCSC2c3ccccc3COc3ccc(C(=O)O)cc32)cc1 | 10.1021/jm00096a016 | |||
| 10023647 | 17639 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 396 | 3 | 1 | 4 | 5.1 | Cc1cccc2c1ncn2C/C=C1\c2ccccc2COc2ccc(C(=O)O)cc21 | 10.1021/jm00096a017 | |||
| CHEMBL117242 | 17639 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 396 | 3 | 1 | 4 | 5.1 | Cc1cccc2c1ncn2C/C=C1\c2ccccc2COc2ccc(C(=O)O)cc21 | 10.1021/jm00096a017 | |||
| 10051178 | 117435 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 488 | 5 | 2 | 5 | 5.8 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ccc(C(O)c4ccccc4)cc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL325868 | 117435 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 488 | 5 | 2 | 5 | 5.8 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ccc(C(O)c4ccccc4)cc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 1880 | 9042 | 41 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 375 | 4 | 1 | 3 | 5.5 | OC(=O)CC1CCn2c1c(Sc1ccc(cc1)Cl)c1c2cc(cc1)F | 10.1016/j.bmcl.2008.03.015 | |||
| 44450494 | 9042 | 41 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 375 | 4 | 1 | 3 | 5.5 | OC(=O)CC1CCn2c1c(Sc1ccc(cc1)Cl)c1c2cc(cc1)F | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL264421 | 9042 | 41 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 375 | 4 | 1 | 3 | 5.5 | OC(=O)CC1CCn2c1c(Sc1ccc(cc1)Cl)c1c2cc(cc1)F | 10.1016/j.bmcl.2008.03.015 | |||
| 10226143 | 102618 | 1 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 453 | 4 | 1 | 3 | 6.3 | O=C(O)CC1CCn2c1c(Sc1ccc(Cl)cc1)c1c(Br)cc(F)cc12 | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL258968 | 102618 | 1 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 453 | 4 | 1 | 3 | 6.3 | O=C(O)CC1CCn2c1c(Sc1ccc(Cl)cc1)c1c(Br)cc(F)cc12 | 10.1016/j.bmcl.2008.03.015 | |||
| 10458078 | 117211 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 485 | 8 | 2 | 6 | 4.1 | COc1ccc(S(=O)(=O)NCCSC2c3ccccc3COc3ccc(C(=O)O)cc32)cc1 | 10.1021/jm00096a016 | |||
| CHEMBL324583 | 117211 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 485 | 8 | 2 | 6 | 4.1 | COc1ccc(S(=O)(=O)NCCSC2c3ccccc3COc3ccc(C(=O)O)cc32)cc1 | 10.1021/jm00096a016 | |||
| 10480515 | 191112 | 0 | None | -9 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 484 | 5 | 1 | 6 | 5.3 | CS(=O)(=O)c1ccnc2c1c(Sc1cccc(Cl)c1Cl)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL484327 | 191112 | 0 | None | -9 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 484 | 5 | 1 | 6 | 5.3 | CS(=O)(=O)c1ccnc2c1c(Sc1cccc(Cl)c1Cl)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 14953077 | 71945 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 360 | 5 | 1 | 3 | 4.5 | CC(C)(Cc1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1)C(=O)O | 10.1021/jm00061a008 | |||
| CHEMBL18245 | 71945 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 360 | 5 | 1 | 3 | 4.5 | CC(C)(Cc1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1)C(=O)O | 10.1021/jm00061a008 | |||
| 10342667 | 191827 | 0 | None | -28 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 430 | 5 | 1 | 6 | 4.3 | Cc1ccc(Sc2c3n(c4nccc(S(C)(=O)=O)c24)CCCC3CC(=O)O)cc1 | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL485535 | 191827 | 0 | None | -28 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 430 | 5 | 1 | 6 | 4.3 | Cc1ccc(Sc2c3n(c4nccc(S(C)(=O)=O)c24)CCCC3CC(=O)O)cc1 | 10.1016/j.bmcl.2009.03.010 | |||
| 14372505 | 148060 | 0 | None | -61 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 415 | 5 | 1 | 3 | 5.0 | C[S+]([O-])c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL383224 | 148060 | 0 | None | -61 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 415 | 5 | 1 | 3 | 5.0 | C[S+]([O-])c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 | 10.1016/j.bmcl.2006.02.062 | |||
| 65772 | 67177 | 8 | None | -9 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm950896w | |||
| CHEMBL174984 | 67177 | 8 | None | -9 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm950896w | |||
| 10051943 | 23097 | 0 | None | -588 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 507 | 2 | 3 | 3 | 3.7 | Oc1cc2c(cc1O)C(Cc1cc(I)cc(I)c1)NCC2 | 10.1021/jm960208o | |||
| CHEMBL122757 | 23097 | 0 | None | -588 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 507 | 2 | 3 | 3 | 3.7 | Oc1cc2c(cc1O)C(Cc1cc(I)cc(I)c1)NCC2 | 10.1021/jm960208o | |||
| 10097814 | 16747 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 509 | 9 | 2 | 7 | 4.6 | COc1ccc(C(=O)NCCSC2c3ccccc3COc3ccc(C(=O)O)cc32)c(OC)c1OC | 10.1021/jm00096a016 | |||
| CHEMBL114785 | 16747 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 509 | 9 | 2 | 7 | 4.6 | COc1ccc(C(=O)NCCSC2c3ccccc3COc3ccc(C(=O)O)cc32)c(OC)c1OC | 10.1021/jm00096a016 | |||
| 10319482 | 117372 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 5.5 | Cc1cc2ncn(CCC3c4ccccc4COc4ccc(C(=O)O)cc43)c2cc1C | 10.1021/jm00096a017 | |||
| CHEMBL325521 | 117372 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 5.5 | Cc1cc2ncn(CCC3c4ccccc4COc4ccc(C(=O)O)cc43)c2cc1C | 10.1021/jm00096a017 | |||
| 10097814 | 16747 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 509 | 9 | 2 | 7 | 4.6 | COc1ccc(C(=O)NCCSC2c3ccccc3COc3ccc(C(=O)O)cc32)c(OC)c1OC | 10.1021/jm00096a016 | |||
| CHEMBL114785 | 16747 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 509 | 9 | 2 | 7 | 4.6 | COc1ccc(C(=O)NCCSC2c3ccccc3COc3ccc(C(=O)O)cc32)c(OC)c1OC | 10.1021/jm00096a016 | |||
| 44411555 | 83819 | 0 | None | -177 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 546 | 5 | 1 | 5 | 5.6 | CS(=O)(=O)c1cc(Br)c2c(c1)c1c(n2Cc2ccc3ccc(Cl)cc3n2)C(CC(=O)O)CC1 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL207201 | 83819 | 0 | None | -177 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 546 | 5 | 1 | 5 | 5.6 | CS(=O)(=O)c1cc(Br)c2c(c1)c1c(n2Cc2ccc3ccc(Cl)cc3n2)C(CC(=O)O)CC1 | 10.1016/j.bmcl.2006.02.062 | |||
| 11260506 | 74314 | 0 | None | 19 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 476 | 11 | 2 | 5 | 6.0 | CCC(SCCc1c(CO)oc2c(OCC(=O)O)cccc12)(c1ccccc1)c1ccccc1 | 10.1021/jm050194z | |||
| CHEMBL189694 | 74314 | 0 | None | 19 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 476 | 11 | 2 | 5 | 6.0 | CCC(SCCc1c(CO)oc2c(OCC(=O)O)cccc12)(c1ccccc1)c1ccccc1 | 10.1021/jm050194z | |||
| 10024547 | 117264 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 3 | 1 | 4 | 5.4 | Cc1cc2ncn(C/C=C3\c4ccccc4COc4cc(C(=O)O)ccc43)c2cc1C | 10.1021/jm00096a017 | |||
| CHEMBL324816 | 117264 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 410 | 3 | 1 | 4 | 5.4 | Cc1cc2ncn(C/C=C3\c4ccccc4COc4cc(C(=O)O)ccc43)c2cc1C | 10.1021/jm00096a017 | |||
| 44411798 | 145839 | 0 | None | -77 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 443 | 6 | 1 | 3 | 5.8 | CC(C)[S+]([O-])c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL378628 | 145839 | 0 | None | -77 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 443 | 6 | 1 | 3 | 5.8 | CC(C)[S+]([O-])c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 | 10.1016/j.bmcl.2006.02.062 | |||
| 53317569 | 63595 | 0 | None | -489 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 468 | 5 | 1 | 4 | 3.8 | CN([C@@H]1CCc2c(CC(=O)O)c3cc(F)c(Cl)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL1643782 | 63595 | 0 | None | -489 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 468 | 5 | 1 | 4 | 3.8 | CN([C@@H]1CCc2c(CC(=O)O)c3cc(F)c(Cl)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| 44591563 | 198687 | 0 | None | -478 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 468 | 5 | 1 | 4 | 7.2 | CC(C)c1nccc2c1c(Sc1cc(Cl)c(Cl)cc1Cl)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL520007 | 198687 | 0 | None | -478 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 468 | 5 | 1 | 4 | 7.2 | CC(C)c1nccc2c1c(Sc1cc(Cl)c(Cl)cc1Cl)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 10414389 | 23269 | 0 | None | -120 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 522 | 2 | 4 | 4 | 3.3 | Nc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | |||
| CHEMBL123596 | 23269 | 0 | None | -120 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 522 | 2 | 4 | 4 | 3.3 | Nc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | |||
| 53320595 | 63583 | 0 | None | -407 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 3.2 | CN([C@@H]1CCc2c(CC(=O)O)c3cc(F)ccc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL1643771 | 63583 | 0 | None | -407 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 3.2 | CN([C@@H]1CCc2c(CC(=O)O)c3cc(F)ccc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| 10477535 | 117123 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 426 | 4 | 2 | 5 | 4.5 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ccc(C(=O)O)cc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL324046 | 117123 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 426 | 4 | 2 | 5 | 4.5 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ccc(C(=O)O)cc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 9806791 | 22327 | 0 | None | -1621 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 523 | 2 | 4 | 4 | 3.4 | Oc1cc2c(cc1O)C(Cc1cc(I)c(O)c(I)c1)NCC2 | 10.1021/jm960208o | |||
| CHEMBL121964 | 22327 | 0 | None | -1621 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 523 | 2 | 4 | 4 | 3.4 | Oc1cc2c(cc1O)C(Cc1cc(I)c(O)c(I)c1)NCC2 | 10.1021/jm960208o | |||
| 44450427 | 102535 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 471 | 5 | 1 | 5 | 5.1 | CS(=O)(=O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1F)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL258498 | 102535 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 471 | 5 | 1 | 5 | 5.1 | CS(=O)(=O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1F)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| 10026771 | 121198 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 450 | 3 | 1 | 4 | 5.8 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc(C(F)(F)F)ccc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL333159 | 121198 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 450 | 3 | 1 | 4 | 5.8 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc(C(F)(F)F)ccc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 15157538 | 145603 | 0 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 431 | 4 | 1 | 2 | 6.0 | O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cccc21 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL378125 | 145603 | 0 | None | 1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 431 | 4 | 1 | 2 | 6.0 | O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cccc21 | 10.1016/j.bmcl.2006.02.062 | |||
| 15157534 | 83506 | 0 | None | 15 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 353 | 4 | 1 | 2 | 5.2 | O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccccc21 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL206631 | 83506 | 0 | None | 15 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 353 | 4 | 1 | 2 | 5.2 | O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccccc21 | 10.1016/j.bmcl.2006.02.062 | |||
| 14372504 | 145064 | 0 | None | -2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 399 | 5 | 1 | 3 | 6.0 | CSc1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL377072 | 145064 | 0 | None | -2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 399 | 5 | 1 | 3 | 6.0 | CSc1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 | 10.1016/j.bmcl.2006.02.062 | |||
| 10251861 | 16827 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 426 | 3 | 1 | 6 | 4.5 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc4c(cc31)OCO4)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL115241 | 16827 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 426 | 3 | 1 | 6 | 4.5 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc4c(cc31)OCO4)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 5311396 | 172029 | 3 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 410 | 3 | 1 | 4 | 5.4 | Cc1cc2ncn(C/C=C3\c4ccccc4COc4ccc(C(=O)O)cc43)c2cc1C | 10.1021/jm00096a017 | |||
| CHEMBL422964 | 172029 | 3 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 410 | 3 | 1 | 4 | 5.4 | Cc1cc2ncn(C/C=C3\c4ccccc4COc4ccc(C(=O)O)cc43)c2cc1C | 10.1021/jm00096a017 | |||
| 3356 | 9060 | 73 | None | -38 | 8 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1021/jm0603668 | |||
| 4326 | 9060 | 73 | None | -38 | 8 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1021/jm0603668 | |||
| 9867642 | 9060 | 73 | None | -38 | 8 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1021/jm0603668 | |||
| CHEMBL426559 | 9060 | 73 | None | -38 | 8 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1021/jm0603668 | |||
| DB11629 | 9060 | 73 | None | -38 | 8 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 10.1021/jm0603668 | |||
| 11756528 | 16678 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 523 | 7 | 2 | 5 | 5.1 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL114363 | 16678 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 523 | 7 | 2 | 5 | 5.1 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 11756528 | 16678 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 523 | 7 | 2 | 5 | 5.1 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL114363 | 16678 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 523 | 7 | 2 | 5 | 5.1 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 14953097 | 170035 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 386 | 7 | 1 | 4 | 4.8 | COc1ccc(Cn2c(CC(C)(C)CC(=O)O)nc3cc(Cl)ccc32)cc1 | 10.1021/jm00061a008 | |||
| CHEMBL418552 | 170035 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 386 | 7 | 1 | 4 | 4.8 | COc1ccc(Cn2c(CC(C)(C)CC(=O)O)nc3cc(Cl)ccc32)cc1 | 10.1021/jm00061a008 | |||
| 44392477 | 71848 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 543 | 6 | 1 | 4 | 8.0 | OC(c1cncc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1)(C(F)(F)F)C(F)(F)F | 10.1016/j.bmcl.2004.12.005 | |||
| CHEMBL182367 | 71848 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 543 | 6 | 1 | 4 | 8.0 | OC(c1cncc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1)(C(F)(F)F)C(F)(F)F | 10.1016/j.bmcl.2004.12.005 | |||
| 18476686 | 83301 | 0 | None | -117 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 495 | 5 | 1 | 4 | 5.0 | CS(=O)(=O)c1cc(Br)c2c(c1)c1c(n2Cc2ccc(Cl)cc2)C(CC(=O)O)CC1 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL206040 | 83301 | 0 | None | -117 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 495 | 5 | 1 | 4 | 5.0 | CS(=O)(=O)c1cc(Br)c2c(c1)c1c(n2Cc2ccc(Cl)cc2)C(CC(=O)O)CC1 | 10.1016/j.bmcl.2006.02.062 | |||
| 10297505 | 166059 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 6.6 | CCC(OC)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL409939 | 166059 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 6.6 | CCC(OC)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| 44338237 | 14936 | 0 | None | -2 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 435 | 6 | 0 | 4 | 5.7 | CN(C)C(=O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| CHEMBL109189 | 14936 | 0 | None | -2 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 435 | 6 | 0 | 4 | 5.7 | CN(C)C(=O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| 44338236 | 115918 | 0 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 442 | 6 | 0 | 5 | 5.4 | CS(=O)(=O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| CHEMBL321405 | 115918 | 0 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 442 | 6 | 0 | 5 | 5.4 | CS(=O)(=O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| 11743676 | 190968 | 0 | None | -3981 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 6.6 | CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL483159 | 190968 | 0 | None | -3981 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 6.6 | CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 3086644 | 71605 | 7 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 391 | 6 | 1 | 4 | 4.8 | CC(C)(CC(=O)O)Cc1nc2cc(Cl)cnc2n1Cc1ccc(Cl)cc1 | 10.1021/jm00061a008 | |||
| CHEMBL18197 | 71605 | 7 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 391 | 6 | 1 | 4 | 4.8 | CC(C)(CC(=O)O)Cc1nc2cc(Cl)cnc2n1Cc1ccc(Cl)cc1 | 10.1021/jm00061a008 | |||
| 44411896 | 83754 | 0 | None | -6 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 417 | 5 | 1 | 4 | 4.3 | CS(=O)(=O)c1ccc2c(c1)c1c(n2Cc2ccc(Cl)cc2)C(CC(=O)O)CC1 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL207104 | 83754 | 0 | None | -6 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 417 | 5 | 1 | 4 | 4.3 | CS(=O)(=O)c1ccc2c(c1)c1c(n2Cc2ccc(Cl)cc2)C(CC(=O)O)CC1 | 10.1016/j.bmcl.2006.02.062 | |||
| 9874010 | 213969 | 0 | None | -123 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 629 | 8 | 1 | 4 | 6.9 | CN(CCc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(99)00465-5 | |||
| CHEMBL92539 | 213969 | 0 | None | -123 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 629 | 8 | 1 | 4 | 6.9 | CN(CCc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(99)00465-5 | |||
| 53324111 | 63610 | 0 | None | -52 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 466 | 5 | 1 | 4 | 3.9 | CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL1643797 | 63610 | 0 | None | -52 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 466 | 5 | 1 | 4 | 3.9 | CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| 53319321 | 63599 | 0 | None | -1174 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 430 | 6 | 1 | 4 | 3.4 | CCN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL1643786 | 63599 | 0 | None | -1174 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 430 | 6 | 1 | 4 | 3.4 | CCN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| 53325908 | 63596 | 0 | None | -1348 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 3.2 | CN([C@@H]1CCc2c(CC(=O)O)c3cccc(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL1643783 | 63596 | 0 | None | -1348 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 3.2 | CN([C@@H]1CCc2c(CC(=O)O)c3cccc(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| 10161062 | 165597 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 449 | 6 | 1 | 4 | 4.6 | CS(=O)(=O)c1cc(F)cc2c1c(CCc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL409451 | 165597 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 449 | 6 | 1 | 4 | 4.6 | CS(=O)(=O)c1cc(F)cc2c1c(CCc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| 11306423 | 9303 | 8 | None | -52 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 491 | 6 | 2 | 5 | 6.4 | Clc1ccc(c(c1)c1ccsc1c1cncc(c1)C(C(F)(F)F)(O)O)OCc1ccccc1 | 10.1016/j.bmcl.2004.12.005 | |||
| 6068 | 9303 | 8 | None | -52 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 491 | 6 | 2 | 5 | 6.4 | Clc1ccc(c(c1)c1ccsc1c1cncc(c1)C(C(F)(F)F)(O)O)OCc1ccccc1 | 10.1016/j.bmcl.2004.12.005 | |||
| CHEMBL185346 | 9303 | 8 | None | -52 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 491 | 6 | 2 | 5 | 6.4 | Clc1ccc(c(c1)c1ccsc1c1cncc(c1)C(C(F)(F)F)(O)O)OCc1ccccc1 | 10.1016/j.bmcl.2004.12.005 | |||
| 44411799 | 85060 | 0 | None | -50 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 586 | 5 | 1 | 6 | 6.3 | CS(=O)(=O)c1cc(Br)c2c(c1)c1c(n2Cc2ccc3sc(Cl)c(Cl)c3n2)C(CC(=O)O)CC1 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL210744 | 85060 | 0 | None | -50 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 586 | 5 | 1 | 6 | 6.3 | CS(=O)(=O)c1cc(Br)c2c(c1)c1c(n2Cc2ccc3sc(Cl)c(Cl)c3n2)C(CC(=O)O)CC1 | 10.1016/j.bmcl.2006.02.062 | |||
| 44338326 | 13314 | 0 | None | -38 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 404 | 6 | 0 | 4 | 5.3 | COC(=O)c1ccc(CCc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| CHEMBL108289 | 13314 | 0 | None | -38 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 404 | 6 | 0 | 4 | 5.3 | COC(=O)c1ccc(CCc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| 10204462 | 103312 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 453 | 5 | 1 | 5 | 5.0 | CS(=O)(=O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL262869 | 103312 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 453 | 5 | 1 | 5 | 5.0 | CS(=O)(=O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| 10363348 | 16807 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 396 | 3 | 1 | 4 | 5.1 | Cc1ccc2ncn(C/C=C3\c4ccccc4COc4ccc(C(=O)O)cc43)c2c1 | 10.1021/jm00096a017 | |||
| CHEMBL115111 | 16807 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 396 | 3 | 1 | 4 | 5.1 | Cc1ccc2ncn(C/C=C3\c4ccccc4COc4ccc(C(=O)O)cc43)c2c1 | 10.1021/jm00096a017 | |||
| 14953067 | 68129 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 388 | 7 | 1 | 3 | 5.3 | CC(C)(CCC(=O)O)Cc1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1 | 10.1021/jm00061a008 | |||
| CHEMBL17677 | 68129 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 388 | 7 | 1 | 3 | 5.3 | CC(C)(CCC(=O)O)Cc1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1 | 10.1021/jm00061a008 | |||
| 14953084 | 169917 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 390 | 6 | 1 | 3 | 5.4 | CC(C)(CC(=O)O)Cc1nc2cc(Cl)ccc2n1Cc1ccc(Cl)cc1 | 10.1021/jm00061a008 | |||
| CHEMBL417820 | 169917 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 390 | 6 | 1 | 3 | 5.4 | CC(C)(CC(=O)O)Cc1nc2cc(Cl)ccc2n1Cc1ccc(Cl)cc1 | 10.1021/jm00061a008 | |||
| 10254794 | 198996 | 0 | None | -17 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 484 | 5 | 1 | 6 | 5.3 | CS(=O)(=O)c1ccnc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL520480 | 198996 | 0 | None | -17 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 484 | 5 | 1 | 6 | 5.3 | CS(=O)(=O)c1ccnc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 9953978 | 73093 | 0 | None | -14 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 421 | 6 | 1 | 4 | 6.4 | O=C(O)c1cncc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 | 10.1016/j.bmcl.2004.12.005 | |||
| CHEMBL184947 | 73093 | 0 | None | -14 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 421 | 6 | 1 | 4 | 6.4 | O=C(O)c1cncc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 | 10.1016/j.bmcl.2004.12.005 | |||
| 22083975 | 145175 | 0 | None | -2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 446 | 6 | 1 | 4 | 4.1 | CN(C)S(=O)(=O)c1ccc2c(c1)c1c(n2Cc2ccc(Cl)cc2)C(CC(=O)O)CC1 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL377297 | 145175 | 0 | None | -2 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 446 | 6 | 1 | 4 | 4.1 | CN(C)S(=O)(=O)c1ccc2c(c1)c1c(n2Cc2ccc(Cl)cc2)C(CC(=O)O)CC1 | 10.1016/j.bmcl.2006.02.062 | |||
| 10073359 | 191082 | 0 | None | -6 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 468 | 5 | 1 | 6 | 4.7 | CS(=O)(=O)c1ccnc2c1c(Sc1ccc(F)cc1Cl)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL484130 | 191082 | 0 | None | -6 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 468 | 5 | 1 | 6 | 4.7 | CS(=O)(=O)c1ccnc2c1c(Sc1ccc(F)cc1Cl)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 10478975 | 168687 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 451 | 7 | 2 | 4 | 4.7 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1ccccc1C=C2 | 10.1021/jm00096a016 | |||
| CHEMBL415239 | 168687 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 451 | 7 | 2 | 4 | 4.7 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1ccccc1C=C2 | 10.1021/jm00096a016 | |||
| 10478975 | 168687 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 451 | 7 | 2 | 4 | 4.7 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1ccccc1C=C2 | 10.1021/jm00096a016 | |||
| CHEMBL415239 | 168687 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 451 | 7 | 2 | 4 | 4.7 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1ccccc1C=C2 | 10.1021/jm00096a016 | |||
| 10162132 | 102999 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 467 | 6 | 1 | 5 | 5.3 | CCS(=O)(=O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL260854 | 102999 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 467 | 6 | 1 | 5 | 5.3 | CCS(=O)(=O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| 10480363 | 117174 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 481 | 8 | 2 | 5 | 4.7 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)/C=C/c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL324364 | 117174 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 481 | 8 | 2 | 5 | 4.7 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)/C=C/c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 10480363 | 117174 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 481 | 8 | 2 | 5 | 4.7 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)/C=C/c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL324364 | 117174 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 481 | 8 | 2 | 5 | 4.7 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)/C=C/c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 11166017 | 73913 | 0 | None | -3 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 418 | 9 | 1 | 4 | 6.0 | O=C(O)COc1cccc2c(CSCC(c3ccccc3)c3ccccc3)coc12 | 10.1021/jm050194z | |||
| CHEMBL187544 | 73913 | 0 | None | -3 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 418 | 9 | 1 | 4 | 6.0 | O=C(O)COc1cccc2c(CSCC(c3ccccc3)c3ccccc3)coc12 | 10.1021/jm050194z | |||
| 11201307 | 74665 | 0 | None | 21 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 432 | 9 | 1 | 4 | 6.1 | CC(SCCc1coc2c(OCC(=O)O)cccc12)(c1ccccc1)c1ccccc1 | 10.1021/jm050194z | |||
| CHEMBL191056 | 74665 | 0 | None | 21 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 432 | 9 | 1 | 4 | 6.1 | CC(SCCc1coc2c(OCC(=O)O)cccc12)(c1ccccc1)c1ccccc1 | 10.1021/jm050194z | |||
| 44411851 | 84521 | 0 | None | -64 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 545 | 6 | 1 | 5 | 5.3 | CS(=O)(=O)c1cc(Br)c2c(c1)c1c(n2Cc2cccc(OC(F)(F)F)c2)C(CC(=O)O)CC1 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL209033 | 84521 | 0 | None | -64 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 545 | 6 | 1 | 5 | 5.3 | CS(=O)(=O)c1cc(Br)c2c(c1)c1c(n2Cc2cccc(OC(F)(F)F)c2)C(CC(=O)O)CC1 | 10.1016/j.bmcl.2006.02.062 | |||
| 10116114 | 132664 | 0 | None | -75 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 470 | 6 | 1 | 6 | 4.5 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | |||
| CHEMBL364841 | 132664 | 0 | None | -75 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 470 | 6 | 1 | 6 | 4.5 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | |||
| 10116114 | 132664 | 0 | None | -75 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 470 | 6 | 1 | 6 | 4.5 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.08.007 | |||
| CHEMBL364841 | 132664 | 0 | None | -75 | 8 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 470 | 6 | 1 | 6 | 4.5 | Cc1cc2c(CC(=O)O)cccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.08.007 | |||
| 10322452 | 16758 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 469 | 7 | 2 | 5 | 4.4 | Cc1ccc(S(=O)(=O)NCCSC2c3ccccc3COc3ccc(C(=O)O)cc32)cc1 | 10.1021/jm00096a016 | |||
| CHEMBL114826 | 16758 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 469 | 7 | 2 | 5 | 4.4 | Cc1ccc(S(=O)(=O)NCCSC2c3ccccc3COc3ccc(C(=O)O)cc32)cc1 | 10.1021/jm00096a016 | |||
| 10322452 | 16758 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 469 | 7 | 2 | 5 | 4.4 | Cc1ccc(S(=O)(=O)NCCSC2c3ccccc3COc3ccc(C(=O)O)cc32)cc1 | 10.1021/jm00096a016 | |||
| CHEMBL114826 | 16758 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 469 | 7 | 2 | 5 | 4.4 | Cc1ccc(S(=O)(=O)NCCSC2c3ccccc3COc3ccc(C(=O)O)cc32)cc1 | 10.1021/jm00096a016 | |||
| 10297616 | 103166 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 449 | 6 | 1 | 4 | 7.0 | CSC(C)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL261811 | 103166 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 449 | 6 | 1 | 4 | 7.0 | CSC(C)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| 44411635 | 85002 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 539 | 6 | 1 | 6 | 3.8 | CS(=O)(=O)c1ccc(Cn2c3c(c4cc(S(C)(=O)=O)cc(Br)c42)CCC3CC(=O)O)cc1 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL210588 | 85002 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 539 | 6 | 1 | 6 | 3.8 | CS(=O)(=O)c1ccc(Cn2c3c(c4cc(S(C)(=O)=O)cc(Br)c42)CCC3CC(=O)O)cc1 | 10.1016/j.bmcl.2006.02.062 | |||
| 10112823 | 102903 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 419 | 5 | 2 | 4 | 5.6 | CC(O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL260400 | 102903 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 419 | 5 | 2 | 4 | 5.6 | CC(O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| 10410551 | 117172 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 432 | 3 | 1 | 4 | 5.9 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc4ccccc4cc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL324331 | 117172 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 432 | 3 | 1 | 4 | 5.9 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc4ccccc4cc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 9938626 | 213612 | 0 | None | -177 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 600 | 7 | 1 | 4 | 6.9 | CC(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1)c1ccccc1 | 10.1016/s0960-894x(99)00465-5 | |||
| CHEMBL90491 | 213612 | 0 | None | -177 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 600 | 7 | 1 | 4 | 6.9 | CC(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1)c1ccccc1 | 10.1016/s0960-894x(99)00465-5 | |||
| 11741746 | 190992 | 0 | None | -3981 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 400 | 5 | 1 | 4 | 5.9 | CC(C)c1nccc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL483346 | 190992 | 0 | None | -3981 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 400 | 5 | 1 | 4 | 5.9 | CC(C)c1nccc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 53320618 | 63614 | 0 | None | -446 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 438 | 5 | 1 | 5 | 3.6 | CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(Cl)s1 | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL1643801 | 63614 | 0 | None | -446 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 438 | 5 | 1 | 5 | 3.6 | CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(Cl)s1 | 10.1016/j.bmcl.2010.11.015 | |||
| 44450410 | 163178 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 487 | 5 | 1 | 5 | 5.3 | CS(=O)(=O)c1cc(F)cc2c1c(Sc1ccc(C(F)(F)F)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL406649 | 163178 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 487 | 5 | 1 | 5 | 5.3 | CS(=O)(=O)c1cc(F)cc2c1c(Sc1ccc(C(F)(F)F)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| 53320616 | 63590 | 0 | None | -1202 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 492 | 6 | 1 | 4 | 4.7 | CN([C@@H]1CCc2c(CC(=O)O)c3ccc(-c4ccccc4)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL1643778 | 63590 | 0 | None | -1202 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 492 | 6 | 1 | 4 | 4.7 | CN([C@@H]1CCc2c(CC(=O)O)c3ccc(-c4ccccc4)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| 10407599 | 17419 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 383 | 3 | 1 | 5 | 4.2 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ncccc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL117036 | 17419 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 383 | 3 | 1 | 5 | 4.2 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ncccc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 44591458 | 186778 | 0 | None | -213 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 392 | 4 | 1 | 4 | 5.5 | O=C(O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1cnccc12 | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL474702 | 186778 | 0 | None | -213 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 392 | 4 | 1 | 4 | 5.5 | O=C(O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1cnccc12 | 10.1016/j.bmcl.2009.03.010 | |||
| 10454345 | 16673 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 4.8 | COc1ccc2c(c1)ncn2C/C=C1\c2ccccc2COc2ccc(C(=O)O)cc21 | 10.1021/jm00096a017 | |||
| CHEMBL114335 | 16673 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 412 | 4 | 1 | 5 | 4.8 | COc1ccc2c(c1)ncn2C/C=C1\c2ccccc2COc2ccc(C(=O)O)cc21 | 10.1021/jm00096a017 | |||
| 11744062 | 16650 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 442 | 5 | 1 | 6 | 4.8 | COc1cc2ncn(C/C=C3\c4ccccc4COc4ccc(C(=O)O)cc43)c2cc1OC | 10.1021/jm00096a017 | |||
| CHEMBL114213 | 16650 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 442 | 5 | 1 | 6 | 4.8 | COc1cc2ncn(C/C=C3\c4ccccc4COc4ccc(C(=O)O)cc43)c2cc1OC | 10.1021/jm00096a017 | |||
| 9978920 | 16822 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 410 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(ncn2C/C=C2\c3ccccc3COc3ccc(C(=O)O)cc32)c1C | 10.1021/jm00096a017 | |||
| CHEMBL115224 | 16822 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 410 | 3 | 1 | 4 | 5.4 | Cc1ccc2c(ncn2C/C=C2\c3ccccc3COc3ccc(C(=O)O)cc32)c1C | 10.1021/jm00096a017 | |||
| 10050461 | 16770 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 471 | 7 | 2 | 5 | 4.8 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1ccccc1CS2 | 10.1021/jm00096a016 | |||
| CHEMBL114901 | 16770 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 471 | 7 | 2 | 5 | 4.8 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1ccccc1CS2 | 10.1021/jm00096a016 | |||
| 10050461 | 16770 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 471 | 7 | 2 | 5 | 4.8 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1ccccc1CS2 | 10.1021/jm00096a016 | |||
| CHEMBL114901 | 16770 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 471 | 7 | 2 | 5 | 4.8 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1ccccc1CS2 | 10.1021/jm00096a016 | |||
| 10074101 | 190874 | 0 | None | -2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 484 | 5 | 1 | 6 | 5.3 | CS(=O)(=O)c1ccnc2c1c(Sc1ccc(Cl)cc1Cl)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL482547 | 190874 | 0 | None | -2 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 484 | 5 | 1 | 6 | 5.3 | CS(=O)(=O)c1ccnc2c1c(Sc1ccc(Cl)cc1Cl)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 10364232 | 117286 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 410 | 3 | 1 | 4 | 5.4 | Cc1cc(C)c2ncn(C/C=C3\c4ccccc4COc4ccc(C(=O)O)cc43)c2c1 | 10.1021/jm00096a017 | |||
| CHEMBL324965 | 117286 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 410 | 3 | 1 | 4 | 5.4 | Cc1cc(C)c2ncn(C/C=C3\c4ccccc4COc4ccc(C(=O)O)cc43)c2c1 | 10.1021/jm00096a017 | |||
| 10026942 | 16710 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 453 | 7 | 2 | 4 | 4.3 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1ccccc1CC2 | 10.1021/jm00096a016 | |||
| CHEMBL114588 | 16710 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 453 | 7 | 2 | 4 | 4.3 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1ccccc1CC2 | 10.1021/jm00096a016 | |||
| 10071103 | 17278 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 426 | 4 | 2 | 5 | 4.5 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc(C(=O)O)ccc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL116721 | 17278 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 426 | 4 | 2 | 5 | 4.5 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc(C(=O)O)ccc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 10026942 | 16710 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 453 | 7 | 2 | 4 | 4.3 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1ccccc1CC2 | 10.1021/jm00096a016 | |||
| CHEMBL114588 | 16710 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 453 | 7 | 2 | 4 | 4.3 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1ccccc1CC2 | 10.1021/jm00096a016 | |||
| 9809136 | 113666 | 0 | None | -301 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 614 | 7 | 1 | 4 | 7.1 | CC(C)(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1)c1ccccc1 | 10.1016/s0960-894x(99)00465-5 | |||
| CHEMBL314533 | 113666 | 0 | None | -301 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 614 | 7 | 1 | 4 | 7.1 | CC(C)(C(=O)NS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)c3ccccc3CCc3ccccc32)cc1)c1ccccc1 | 10.1016/s0960-894x(99)00465-5 | |||
| 9802748 | 142701 | 0 | None | -1584 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 430 | 6 | 1 | 4 | 3.4 | CN([C@@H]1CCc2c(c3ccccc3n2CCC(=O)O)C1)S(=O)(=O)c1ccc(F)cc1 | 10.1021/jm049036i | |||
| CHEMBL373118 | 142701 | 0 | None | -1584 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 430 | 6 | 1 | 4 | 3.4 | CN([C@@H]1CCc2c(c3ccccc3n2CCC(=O)O)C1)S(=O)(=O)c1ccc(F)cc1 | 10.1021/jm049036i | |||
| 14953103 | 69952 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 352 | 7 | 1 | 4 | 4.1 | COc1ccc(Cn2c(CC(C)(C)CC(=O)O)nc3ccccc32)cc1 | 10.1021/jm00061a008 | |||
| CHEMBL17899 | 69952 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 352 | 7 | 1 | 4 | 4.1 | COc1ccc(Cn2c(CC(C)(C)CC(=O)O)nc3ccccc32)cc1 | 10.1021/jm00061a008 | |||
| 14953078 | 105497 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 356 | 6 | 1 | 3 | 4.8 | CC(C)(CC(=O)O)Cc1nc2ccccc2n1Cc1ccc(Cl)cc1 | 10.1021/jm00061a008 | |||
| CHEMBL277826 | 105497 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 356 | 6 | 1 | 3 | 4.8 | CC(C)(CC(=O)O)Cc1nc2ccccc2n1Cc1ccc(Cl)cc1 | 10.1021/jm00061a008 | |||
| 44450397 | 102911 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 463 | 5 | 1 | 4 | 5.5 | CS(=O)(=O)c1cc(F)cc2c1c(-c1cccc(-c3ccccc3)c1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL260468 | 102911 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 463 | 5 | 1 | 4 | 5.5 | CS(=O)(=O)c1cc(F)cc2c1c(-c1cccc(-c3ccccc3)c1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| 11316066 | 74084 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 418 | 9 | 1 | 4 | 6.0 | O=C(O)COc1cccc2c(CCSC(c3ccccc3)c3ccccc3)coc12 | 10.1021/jm050194z | |||
| CHEMBL188384 | 74084 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 418 | 9 | 1 | 4 | 6.0 | O=C(O)COc1cccc2c(CCSC(c3ccccc3)c3ccccc3)coc12 | 10.1021/jm050194z | |||
| 44338291 | 13204 | 0 | None | -3 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 438 | 6 | 0 | 5 | 4.8 | COC(=O)c1ccc(C[S+]([O-])c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| CHEMBL108242 | 13204 | 0 | None | -3 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 438 | 6 | 0 | 5 | 4.8 | COC(=O)c1ccc(C[S+]([O-])c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| 11350967 | 73961 | 0 | None | -11 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 432 | 10 | 1 | 4 | 6.4 | O=C(O)COc1cccc2c(CCCSC(c3ccccc3)c3ccccc3)coc12 | 10.1021/jm050194z | |||
| CHEMBL187758 | 73961 | 0 | None | -11 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 432 | 10 | 1 | 4 | 6.4 | O=C(O)COc1cccc2c(CCCSC(c3ccccc3)c3ccccc3)coc12 | 10.1021/jm050194z | |||
| 11750835 | 74223 | 0 | None | -5 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 432 | 10 | 1 | 4 | 6.4 | O=C(O)COc1cccc2c(CSCCC(c3ccccc3)c3ccccc3)coc12 | 10.1021/jm050194z | |||
| CHEMBL189063 | 74223 | 0 | None | -5 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 432 | 10 | 1 | 4 | 6.4 | O=C(O)COc1cccc2c(CSCCC(c3ccccc3)c3ccccc3)coc12 | 10.1021/jm050194z | |||
| 11407826 | 130424 | 0 | None | -38 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 432 | 10 | 1 | 4 | 6.0 | O=C(O)COc1cccc2c(CCSCC(c3ccccc3)c3ccccc3)coc12 | 10.1021/jm050194z | |||
| CHEMBL361939 | 130424 | 0 | None | -38 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 432 | 10 | 1 | 4 | 6.0 | O=C(O)COc1cccc2c(CCSCC(c3ccccc3)c3ccccc3)coc12 | 10.1021/jm050194z | |||
| 11545879 | 21678 | 3 | None | -125 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 381 | 6 | 1 | 3 | 5.8 | CC(C)COc1ccc(Cl)cc1-c1ccccc1-c1cccc(C(=O)O)n1 | 10.1016/j.bmcl.2008.11.032 | |||
| CHEMBL1207973 | 21678 | 3 | None | -125 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 381 | 6 | 1 | 3 | 5.8 | CC(C)COc1ccc(Cl)cc1-c1ccccc1-c1cccc(C(=O)O)n1 | 10.1016/j.bmcl.2008.11.032 | |||
| CHEMBL467510 | 21678 | 3 | None | -125 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 381 | 6 | 1 | 3 | 5.8 | CC(C)COc1ccc(Cl)cc1-c1ccccc1-c1cccc(C(=O)O)n1 | 10.1016/j.bmcl.2008.11.032 | |||
| 10225820 | 163177 | 1 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 449 | 5 | 1 | 4 | 5.0 | CC(c1ccc(Cl)cc1)c1c2n(c3cc(F)cc(S(C)(=O)=O)c13)CCC2CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL406648 | 163177 | 1 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 449 | 5 | 1 | 4 | 5.0 | CC(c1ccc(Cl)cc1)c1c2n(c3cc(F)cc(S(C)(=O)=O)c13)CCC2CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| 3078928 | 117142 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 455 | 7 | 2 | 5 | 4.1 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL324130 | 117142 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 455 | 7 | 2 | 5 | 4.1 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 3078928 | 117142 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 455 | 7 | 2 | 5 | 4.1 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL324130 | 117142 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 455 | 7 | 2 | 5 | 4.1 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 3078928 | 117142 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 455 | 7 | 2 | 5 | 4.1 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL324130 | 117142 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 455 | 7 | 2 | 5 | 4.1 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 10412393 | 16691 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 469 | 7 | 1 | 5 | 4.4 | CN(CCSC1c2ccccc2COc2ccc(C(=O)O)cc21)S(=O)(=O)c1ccccc1 | 10.1021/jm00096a016 | |||
| CHEMBL114424 | 16691 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 469 | 7 | 1 | 5 | 4.4 | CN(CCSC1c2ccccc2COc2ccc(C(=O)O)cc21)S(=O)(=O)c1ccccc1 | 10.1021/jm00096a016 | |||
| 10412393 | 16691 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 469 | 7 | 1 | 5 | 4.4 | CN(CCSC1c2ccccc2COc2ccc(C(=O)O)cc21)S(=O)(=O)c1ccccc1 | 10.1021/jm00096a016 | |||
| CHEMBL114424 | 16691 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 469 | 7 | 1 | 5 | 4.4 | CN(CCSC1c2ccccc2COc2ccc(C(=O)O)cc21)S(=O)(=O)c1ccccc1 | 10.1021/jm00096a016 | |||
| 44411605 | 83973 | 0 | None | -117 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 499 | 6 | 1 | 4 | 6.3 | CS(=O)(=O)c1cc(C2CCCCC2)c2c(c1)c1c(n2Cc2ccc(Cl)cc2)C(CC(=O)O)CC1 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL207916 | 83973 | 0 | None | -117 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 499 | 6 | 1 | 4 | 6.3 | CS(=O)(=O)c1cc(C2CCCCC2)c2c(c1)c1c(n2Cc2ccc(Cl)cc2)C(CC(=O)O)CC1 | 10.1016/j.bmcl.2006.02.062 | |||
| 10495597 | 66057 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 316 | 3 | 4 | 6 | 2.1 | O=[N+]([O-])c1cc(CC2NCCc3cc(O)c(O)cc32)ccc1O | 10.1021/jm950896w | |||
| CHEMBL170451 | 66057 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 316 | 3 | 4 | 6 | 2.1 | O=[N+]([O-])c1cc(CC2NCCc3cc(O)c(O)cc32)ccc1O | 10.1021/jm950896w | |||
| 44591806 | 190933 | 0 | None | -3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 402 | 5 | 1 | 5 | 5.2 | COc1ccnc2c1c(Sc1ccc(Cl)cc1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL482953 | 190933 | 0 | None | -3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 402 | 5 | 1 | 5 | 5.2 | COc1ccnc2c1c(Sc1ccc(Cl)cc1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 44411797 | 146293 | 0 | None | -85 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 429 | 6 | 1 | 3 | 5.4 | CC[S+]([O-])c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL379491 | 146293 | 0 | None | -85 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 429 | 6 | 1 | 3 | 5.4 | CC[S+]([O-])c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 | 10.1016/j.bmcl.2006.02.062 | |||
| 46890180 | 13448 | 0 | None | -97 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 510 | 7 | 1 | 5 | 4.9 | Cc1c(C2c3ccccc3S(=O)(=O)N2CCOc2ccc(Cl)cc2)c2ccccc2n1CC(=O)O | 10.1016/j.bmcl.2010.04.046 | |||
| CHEMBL1083446 | 13448 | 0 | None | -97 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 510 | 7 | 1 | 5 | 4.9 | Cc1c(C2c3ccccc3S(=O)(=O)N2CCOc2ccc(Cl)cc2)c2ccccc2n1CC(=O)O | 10.1016/j.bmcl.2010.04.046 | |||
| 44591535 | 190967 | 0 | None | -4677 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 446 | 6 | 1 | 4 | 6.4 | O=C(O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(CC3CC3)nccc12 | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL483154 | 190967 | 0 | None | -4677 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 446 | 6 | 1 | 4 | 6.4 | O=C(O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(CC3CC3)nccc12 | 10.1016/j.bmcl.2009.03.010 | |||
| 10683471 | 66671 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 270 | 2 | 4 | 4 | 2.1 | Nc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1 | 10.1021/jm950896w | |||
| CHEMBL173039 | 66671 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 270 | 2 | 4 | 4 | 2.1 | Nc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1 | 10.1021/jm950896w | |||
| 10345671 | 191058 | 0 | None | -10 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 494 | 5 | 1 | 6 | 4.7 | CS(=O)(=O)c1ccnc2c1c(Sc1ccc(Br)cc1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL483939 | 191058 | 0 | None | -10 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 494 | 5 | 1 | 6 | 4.7 | CS(=O)(=O)c1ccnc2c1c(Sc1ccc(Br)cc1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 10349225 | 23156 | 0 | None | -40 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 564 | 3 | 4 | 4 | 3.7 | CC(=O)Nc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | |||
| CHEMBL122992 | 23156 | 0 | None | -40 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 564 | 3 | 4 | 4 | 3.7 | CC(=O)Nc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | |||
| 44392512 | 71998 | 0 | None | -6 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 432 | 6 | 1 | 5 | 6.3 | N#CC(O)c1cncc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 | 10.1016/j.bmcl.2004.12.005 | |||
| CHEMBL182623 | 71998 | 0 | None | -6 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 432 | 6 | 1 | 5 | 6.3 | N#CC(O)c1cncc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 | 10.1016/j.bmcl.2004.12.005 | |||
| 9933925 | 146339 | 0 | None | -380 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 459 | 6 | 1 | 5 | 4.5 | CC(=O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CC3 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL379711 | 146339 | 0 | None | -380 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 459 | 6 | 1 | 5 | 4.5 | CC(=O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CC3 | 10.1016/j.bmcl.2006.02.062 | |||
| 10114504 | 102568 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 445 | 7 | 1 | 3 | 7.5 | CCC(CC)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL258714 | 102568 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 445 | 7 | 1 | 3 | 7.5 | CCC(CC)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| 10409168 | 117923 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 5.3 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc(-c3ccccc3)c1)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL326393 | 117923 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 5.3 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc(-c3ccccc3)c1)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 14953098 | 169942 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 418 | 7 | 1 | 5 | 3.7 | CC(C)(CC(=O)O)Cc1nc2cc(F)ccc2n1Cc1ccc(S(C)(=O)=O)cc1 | 10.1021/jm00061a008 | |||
| CHEMBL418000 | 169942 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 418 | 7 | 1 | 5 | 3.7 | CC(C)(CC(=O)O)Cc1nc2cc(F)ccc2n1Cc1ccc(S(C)(=O)=O)cc1 | 10.1021/jm00061a008 | |||
| 44411889 | 84051 | 0 | None | -131 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 424 | 5 | 1 | 3 | 4.9 | CN(C)C(=O)c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL208082 | 84051 | 0 | None | -131 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 424 | 5 | 1 | 3 | 4.9 | CN(C)C(=O)c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 | 10.1016/j.bmcl.2006.02.062 | |||
| 44338285 | 14247 | 0 | None | -12 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 406 | 6 | 0 | 4 | 6.2 | CC(=O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| CHEMBL108698 | 14247 | 0 | None | -12 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 406 | 6 | 0 | 4 | 6.2 | CC(=O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| 45268455 | 202916 | 48 | None | -1513 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 416 | 5 | 1 | 4 | 3.0 | CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL561132 | 202916 | 48 | None | -1513 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 416 | 5 | 1 | 4 | 3.0 | CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| 45268455 | 202916 | 48 | None | -1513 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 416 | 5 | 1 | 4 | 3.0 | CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.084 | |||
| CHEMBL561132 | 202916 | 48 | None | -1513 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 416 | 5 | 1 | 4 | 3.0 | CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.084 | |||
| 45268455 | 202916 | 48 | None | -1513 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 416 | 5 | 1 | 4 | 3.0 | CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.6019/CHEMBL5212743 | |||
| CHEMBL561132 | 202916 | 48 | None | -1513 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 416 | 5 | 1 | 4 | 3.0 | CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.6019/CHEMBL5212743 | |||
| 10433093 | 191309 | 0 | None | -1000 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 6.6 | CC(C)c1nccc2c1c(Sc1ccc(Cl)cc1Cl)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL484779 | 191309 | 0 | None | -1000 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 6.6 | CC(C)c1nccc2c1c(Sc1ccc(Cl)cc1Cl)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 15947857 | 162292 | 7 | None | -34 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 767 | 12 | 1 | 9 | 6.3 | COc1cccc(OC)c1C1(C(=O)NS(=O)(=O)Cc2ccc(N3Cc4c(c(OCC(F)(F)F)c5cccnc5c4OCC(F)(F)F)C3=O)c(C)c2)CC1 | 10.1016/j.bmcl.2008.01.103 | |||
| CHEMBL404199 | 162292 | 7 | None | -34 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 767 | 12 | 1 | 9 | 6.3 | COc1cccc(OC)c1C1(C(=O)NS(=O)(=O)Cc2ccc(N3Cc4c(c(OCC(F)(F)F)c5cccnc5c4OCC(F)(F)F)C3=O)c(C)c2)CC1 | 10.1016/j.bmcl.2008.01.103 | |||
| 14953114 | 70256 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 357 | 6 | 1 | 4 | 4.2 | CC(C)(CC(=O)O)Cc1nc2cccnc2n1Cc1ccc(Cl)cc1 | 10.1021/jm00061a008 | |||
| CHEMBL17990 | 70256 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 357 | 6 | 1 | 4 | 4.2 | CC(C)(CC(=O)O)Cc1nc2cccnc2n1Cc1ccc(Cl)cc1 | 10.1021/jm00061a008 | |||
| 9825028 | 191148 | 0 | None | -9 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 450 | 5 | 1 | 6 | 4.6 | CS(=O)(=O)c1ccnc2c1c(Sc1ccc(Cl)cc1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL484525 | 191148 | 0 | None | -9 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 450 | 5 | 1 | 6 | 4.6 | CS(=O)(=O)c1ccnc2c1c(Sc1ccc(Cl)cc1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 11374485 | 85744 | 0 | None | -32 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 455 | 6 | 1 | 4 | 6.0 | NS(=O)(=O)c1cccc(-c2ccsc2-c2cc(Cl)ccc2OCc2ccccc2)c1 | 10.1016/j.bmcl.2004.12.005 | |||
| CHEMBL2113029 | 85744 | 0 | None | -32 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 455 | 6 | 1 | 4 | 6.0 | NS(=O)(=O)c1cccc(-c2ccsc2-c2cc(Cl)ccc2OCc2ccccc2)c1 | 10.1016/j.bmcl.2004.12.005 | |||
| 53317958 | 63586 | 0 | None | -3630 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 450 | 5 | 1 | 4 | 3.7 | CN([C@@H]1CCc2c(CC(=O)O)c3ccc(Cl)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL1643774 | 63586 | 0 | None | -3630 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 450 | 5 | 1 | 4 | 3.7 | CN([C@@H]1CCc2c(CC(=O)O)c3ccc(Cl)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| 10386146 | 16612 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 398 | 3 | 2 | 5 | 4.5 | O=C(O)c1ccc2c(c1)/C(=C/Cn1c(O)nc3ccccc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL114034 | 16612 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 398 | 3 | 2 | 5 | 4.5 | O=C(O)c1ccc2c(c1)/C(=C/Cn1c(O)nc3ccccc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 14953090 | 105402 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 370 | 7 | 1 | 4 | 4.3 | COc1ccc(Cn2c(CC(C)(C)CC(=O)O)nc3cc(F)ccc32)cc1 | 10.1021/jm00061a008 | |||
| CHEMBL277065 | 105402 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 370 | 7 | 1 | 4 | 4.3 | COc1ccc(Cn2c(CC(C)(C)CC(=O)O)nc3cc(F)ccc32)cc1 | 10.1021/jm00061a008 | |||
| 10480363 | 117174 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 481 | 8 | 2 | 5 | 4.7 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)/C=C/c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL324364 | 117174 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 481 | 8 | 2 | 5 | 4.7 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)/C=C/c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 10480363 | 117174 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 481 | 8 | 2 | 5 | 4.7 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)/C=C/c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL324364 | 117174 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 481 | 8 | 2 | 5 | 4.7 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)/C=C/c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 11237257 | 74381 | 0 | None | 446 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 494 | 10 | 2 | 6 | 4.3 | CC(c1ccccc1)(c1ccccc1)S(=O)(=O)CCc1c(CO)oc2c(OCC(=O)O)cccc12 | 10.1021/jm050194z | |||
| CHEMBL190288 | 74381 | 0 | None | 446 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 494 | 10 | 2 | 6 | 4.3 | CC(c1ccccc1)(c1ccccc1)S(=O)(=O)CCc1c(CO)oc2c(OCC(=O)O)cccc12 | 10.1021/jm050194z | |||
| 123879 | 10060 | 82 | None | 3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1021/jm049036i | |||
| 1910 | 10060 | 82 | None | 3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1021/jm049036i | |||
| 1911 | 10060 | 82 | None | 3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1021/jm049036i | |||
| 2354 | 10060 | 82 | None | 3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1021/jm049036i | |||
| CHEMBL361812 | 10060 | 82 | None | 3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1021/jm049036i | |||
| DB13036 | 10060 | 82 | None | 3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 10.1021/jm049036i | |||
| 11261579 | 74373 | 0 | None | 117 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 462 | 10 | 2 | 5 | 5.6 | CC(SCCc1c(CO)oc2c(OCC(=O)O)cccc12)(c1ccccc1)c1ccccc1 | 10.1021/jm050194z | |||
| CHEMBL190236 | 74373 | 0 | None | 117 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 462 | 10 | 2 | 5 | 5.6 | CC(SCCc1c(CO)oc2c(OCC(=O)O)cccc12)(c1ccccc1)c1ccccc1 | 10.1021/jm050194z | |||
| 11743212 | 23936 | 0 | None | -131 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 6.8 | O=C(O)C1CC1c1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| CHEMBL125588 | 23936 | 0 | None | -131 | 7 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 6.8 | O=C(O)C1CC1c1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | |||
| 44338297 | 115417 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 390 | 5 | 0 | 4 | 5.1 | COC(=O)c1ccc(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| CHEMBL320734 | 115417 | 0 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 390 | 5 | 0 | 4 | 5.1 | COC(=O)c1ccc(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| 44591762 | 198598 | 0 | None | -26 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 466 | 5 | 1 | 6 | 5.1 | CS(=O)(=O)c1ccnc2c1c(Sc1cccc3ccccc13)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL519862 | 198598 | 0 | None | -26 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 466 | 5 | 1 | 6 | 5.1 | CS(=O)(=O)c1ccnc2c1c(Sc1cccc3ccccc13)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 44591515 | 190909 | 0 | None | -524 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 432 | 5 | 1 | 4 | 6.3 | O=C(O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(C3CC3)nccc12 | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL482744 | 190909 | 0 | None | -524 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 432 | 5 | 1 | 4 | 6.3 | O=C(O)CC1CCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(C3CC3)nccc12 | 10.1016/j.bmcl.2009.03.010 | |||
| 15680093 | 71620 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 400 | 6 | 1 | 3 | 5.5 | O=C(O)CC1(Cc2nc3cc(F)ccc3n2Cc2ccc(Cl)cc2)CCCC1 | 10.1021/jm00061a008 | |||
| CHEMBL18206 | 71620 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 400 | 6 | 1 | 3 | 5.5 | O=C(O)CC1(Cc2nc3cc(F)ccc3n2Cc2ccc(Cl)cc2)CCCC1 | 10.1021/jm00061a008 | |||
| 40517075 | 16029 | 1 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 364 | 5 | 0 | 3 | 6.0 | Clc1ccc(Cn2c(SCc3ccccc3)nc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| CHEMBL110774 | 16029 | 1 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 364 | 5 | 0 | 3 | 6.0 | Clc1ccc(Cn2c(SCc3ccccc3)nc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| 53323266 | 63597 | 0 | None | -107 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 452 | 5 | 1 | 4 | 3.3 | CN([C@@H]1CCc2c(CC(=O)O)c3cc(F)cc(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL1643784 | 63597 | 0 | None | -107 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 452 | 5 | 1 | 4 | 3.3 | CN([C@@H]1CCc2c(CC(=O)O)c3cc(F)cc(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| 10364780 | 117411 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 419 | 6 | 2 | 4 | 4.5 | O=C(O)c1ccc2c(c1)C(SCCNC(=O)c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL325743 | 117411 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 419 | 6 | 2 | 4 | 4.5 | O=C(O)c1ccc2c(c1)C(SCCNC(=O)c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 10364780 | 117411 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 419 | 6 | 2 | 4 | 4.5 | O=C(O)c1ccc2c(c1)C(SCCNC(=O)c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL325743 | 117411 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 419 | 6 | 2 | 4 | 4.5 | O=C(O)c1ccc2c(c1)C(SCCNC(=O)c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 10092137 | 117104 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 396 | 3 | 1 | 4 | 5.1 | Cc1cccc2ncn(C/C=C3\c4ccccc4COc4ccc(C(=O)O)cc43)c12 | 10.1021/jm00096a017 | |||
| CHEMBL323926 | 117104 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 396 | 3 | 1 | 4 | 5.1 | Cc1cccc2ncn(C/C=C3\c4ccccc4COc4ccc(C(=O)O)cc43)c12 | 10.1021/jm00096a017 | |||
| 10430971 | 172110 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 398 | 3 | 2 | 5 | 4.5 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3c(O)cccc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL423511 | 172110 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 398 | 3 | 2 | 5 | 4.5 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3c(O)cccc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 10136760 | 166400 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 417 | 5 | 1 | 3 | 6.7 | CC(C)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL410338 | 166400 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 417 | 5 | 1 | 3 | 6.7 | CC(C)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| 9871887 | 109977 | 0 | None | -22 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 537 | 3 | 3 | 4 | 3.7 | COc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | |||
| CHEMBL308351 | 109977 | 0 | None | -22 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 537 | 3 | 3 | 4 | 3.7 | COc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm960208o | |||
| 44591537 | 198007 | 0 | None | -537 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 448 | 5 | 1 | 4 | 7.0 | CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL518988 | 198007 | 0 | None | -537 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 448 | 5 | 1 | 4 | 7.0 | CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 10095579 | 108108 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 456 | 7 | 2 | 6 | 3.5 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1cccnc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL296720 | 108108 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 456 | 7 | 2 | 6 | 3.5 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1cccnc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 9801972 | 84913 | 0 | None | -25 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 415 | 5 | 1 | 3 | 5.0 | C[S@@+]([O-])c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CCC3 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL210356 | 84913 | 0 | None | -25 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 415 | 5 | 1 | 3 | 5.0 | C[S@@+]([O-])c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CCC3 | 10.1016/j.bmcl.2006.02.062 | |||
| 10095579 | 108108 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 456 | 7 | 2 | 6 | 3.5 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1cccnc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL296720 | 108108 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 456 | 7 | 2 | 6 | 3.5 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1cccnc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 10476586 | 14918 | 0 | None | -1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 408 | 6 | 1 | 4 | 5.7 | O=C(O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| CHEMBL109179 | 14918 | 0 | None | -1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 408 | 6 | 1 | 4 | 5.7 | O=C(O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| 10204113 | 102774 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 447 | 6 | 2 | 4 | 6.2 | CC(C)C(O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL259650 | 102774 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 447 | 6 | 2 | 4 | 6.2 | CC(C)C(O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| 14953087 | 170068 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 386 | 7 | 1 | 4 | 5.0 | CSc1ccc(Cn2c(CC(C)(C)CC(=O)O)nc3cc(F)ccc32)cc1 | 10.1021/jm00061a008 | |||
| CHEMBL418730 | 170068 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 386 | 7 | 1 | 4 | 5.0 | CSc1ccc(Cn2c(CC(C)(C)CC(=O)O)nc3cc(F)ccc32)cc1 | 10.1021/jm00061a008 | |||
| 9980414 | 117157 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 435 | 6 | 3 | 5 | 4.2 | O=C(O)c1ccc2c(c1)C(SCCNC(=O)c1ccccc1O)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL324256 | 117157 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 435 | 6 | 3 | 5 | 4.2 | O=C(O)c1ccc2c(c1)C(SCCNC(=O)c1ccccc1O)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 44411688 | 84955 | 0 | None | -2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 431 | 5 | 1 | 4 | 4.6 | CS(=O)(=O)c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL210471 | 84955 | 0 | None | -2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 431 | 5 | 1 | 4 | 4.6 | CS(=O)(=O)c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 | 10.1016/j.bmcl.2006.02.062 | |||
| 9980414 | 117157 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 435 | 6 | 3 | 5 | 4.2 | O=C(O)c1ccc2c(c1)C(SCCNC(=O)c1ccccc1O)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL324256 | 117157 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 435 | 6 | 3 | 5 | 4.2 | O=C(O)c1ccc2c(c1)C(SCCNC(=O)c1ccccc1O)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 1888 | 10672 | 29 | None | 2 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 10.1021/np50094a001 | |||
| 1974 | 10672 | 29 | None | 2 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 10.1021/np50094a001 | |||
| 5311493 | 10672 | 29 | None | 2 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 10.1021/np50094a001 | |||
| CHEMBL521784 | 10672 | 29 | None | 2 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 10.1021/np50094a001 | |||
| 3078925 | 117513 | 6 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 461 | 7 | 2 | 6 | 4.1 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1cccs1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL326047 | 117513 | 6 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 461 | 7 | 2 | 6 | 4.1 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1cccs1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 3078925 | 117513 | 6 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 461 | 7 | 2 | 6 | 4.1 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1cccs1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL326047 | 117513 | 6 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 461 | 7 | 2 | 6 | 4.1 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1cccs1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 24765153 | 191308 | 0 | None | -7762 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 6.6 | CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CC[C@H]1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL484778 | 191308 | 0 | None | -7762 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 6.6 | CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CC[C@H]1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 11202399 | 133613 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 478 | 10 | 2 | 5 | 4.6 | CC(c1ccccc1)(c1ccccc1)[S+]([O-])CCc1c(CO)oc2c(OCC(=O)O)cccc12 | 10.1021/jm050194z | |||
| CHEMBL365501 | 133613 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 478 | 10 | 2 | 5 | 4.6 | CC(c1ccccc1)(c1ccccc1)[S+]([O-])CCc1c(CO)oc2c(OCC(=O)O)cccc12 | 10.1021/jm050194z | |||
| 44271957 | 70649 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 384 | 4 | 1 | 3 | 5.0 | O=C(O)[C@@H]1CC=CC[C@@H]1c1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1 | 10.1021/jm00061a008 | |||
| CHEMBL18037 | 70649 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 384 | 4 | 1 | 3 | 5.0 | O=C(O)[C@@H]1CC=CC[C@@H]1c1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1 | 10.1021/jm00061a008 | |||
| 11292620 | 75967 | 0 | None | -1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 404 | 8 | 1 | 4 | 5.9 | O=C(O)COc1cccc2c(CSC(c3ccccc3)c3ccccc3)coc12 | 10.1021/jm050194z | |||
| CHEMBL192661 | 75967 | 0 | None | -1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 404 | 8 | 1 | 4 | 5.9 | O=C(O)COc1cccc2c(CSC(c3ccccc3)c3ccccc3)coc12 | 10.1021/jm050194z | |||
| 10276571 | 165865 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 463 | 5 | 1 | 5 | 4.4 | CS(=O)(=O)c1cc(F)cc2c1c(C(=O)c1ccc(Cl)cc1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL409737 | 165865 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 463 | 5 | 1 | 5 | 4.4 | CS(=O)(=O)c1cc(F)cc2c1c(C(=O)c1ccc(Cl)cc1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| 14953073 | 71786 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 372 | 6 | 1 | 3 | 4.7 | O=C(O)CC1(Cc2nc3cc(F)ccc3n2Cc2ccc(Cl)cc2)CC1 | 10.1021/jm00061a008 | |||
| CHEMBL18232 | 71786 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 372 | 6 | 1 | 3 | 4.7 | O=C(O)CC1(Cc2nc3cc(F)ccc3n2Cc2ccc(Cl)cc2)CC1 | 10.1021/jm00061a008 | |||
| 11270709 | 145042 | 0 | None | -144 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 443 | 6 | 1 | 4 | 4.9 | C=Cc1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CC3 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL377055 | 145042 | 0 | None | -144 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 443 | 6 | 1 | 4 | 4.9 | C=Cc1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CC3 | 10.1016/j.bmcl.2006.02.062 | |||
| 10456444 | 16714 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 450 | 3 | 1 | 4 | 6.1 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc(Cl)c(Cl)cc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL114614 | 16714 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 450 | 3 | 1 | 4 | 6.1 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc(Cl)c(Cl)cc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 5036 | 108342 | 26 | None | -9 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | O=C(O)CCn1c2c(c3ccccc31)CC(NS(=O)(=O)c1ccc(F)cc1)CC2 | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL298483 | 108342 | 26 | None | -9 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 416 | 6 | 2 | 4 | 3.1 | O=C(O)CCn1c2c(c3ccccc31)CC(NS(=O)(=O)c1ccc(F)cc1)CC2 | 10.1016/j.bmcl.2010.11.015 | |||
| 10577317 | 22284 | 0 | None | -2691 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 500 | 4 | 4 | 4 | 4.4 | O=C(Nc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1I)c1ccccc1 | 10.1021/jm960208o | |||
| CHEMBL121704 | 22284 | 0 | None | -2691 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 500 | 4 | 4 | 4 | 4.4 | O=C(Nc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1I)c1ccccc1 | 10.1021/jm960208o | |||
| 11545850 | 77011 | 0 | None | -1047 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 402 | 5 | 2 | 4 | 2.7 | O=C(O)Cn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2 | 10.1021/jm049036i | |||
| CHEMBL194085 | 77011 | 0 | None | -1047 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 402 | 5 | 2 | 4 | 2.7 | O=C(O)Cn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2 | 10.1021/jm049036i | |||
| 14953076 | 105066 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 3.9 | O=C(O)CCc1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1 | 10.1021/jm00061a008 | |||
| CHEMBL274749 | 105066 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 3.9 | O=C(O)CCc1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1 | 10.1021/jm00061a008 | |||
| 10276868 | 165598 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 5.5 | CS(=O)(=O)c1cc(F)cc2c1c(Sc1ccc3ccccc3c1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL409452 | 165598 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 5.5 | CS(=O)(=O)c1cc(F)cc2c1c(Sc1ccc3ccccc3c1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| 44591516 | 190965 | 0 | None | -588 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 460 | 6 | 1 | 4 | 6.8 | O=C(O)CC1CCCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(CC3CC3)nccc12 | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL483152 | 190965 | 0 | None | -588 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 460 | 6 | 1 | 4 | 6.8 | O=C(O)CC1CCCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(CC3CC3)nccc12 | 10.1016/j.bmcl.2009.03.010 | |||
| 11742673 | 117291 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 416 | 3 | 1 | 4 | 5.4 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc(Cl)ccc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL325032 | 117291 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 416 | 3 | 1 | 4 | 5.4 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc(Cl)ccc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 14953093 | 70280 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 402 | 7 | 1 | 4 | 5.5 | CSc1ccc(Cn2c(CC(C)(C)CC(=O)O)nc3cc(Cl)ccc32)cc1 | 10.1021/jm00061a008 | |||
| CHEMBL18000 | 70280 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 402 | 7 | 1 | 4 | 5.5 | CSc1ccc(Cn2c(CC(C)(C)CC(=O)O)nc3cc(Cl)ccc32)cc1 | 10.1021/jm00061a008 | |||
| 14953086 | 71987 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 408 | 6 | 1 | 3 | 5.6 | CC(C)(CC(=O)O)Cc1nc2cc(F)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1021/jm00061a008 | |||
| CHEMBL18257 | 71987 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 408 | 6 | 1 | 3 | 5.6 | CC(C)(CC(=O)O)Cc1nc2cc(F)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1021/jm00061a008 | |||
| 10253895 | 16670 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 464 | 7 | 3 | 4 | 5.2 | O=C(O)c1ccc2c(c1)C(SCC/N=C(\S)NCc1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL114324 | 16670 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 464 | 7 | 3 | 4 | 5.2 | O=C(O)c1ccc2c(c1)C(SCC/N=C(\S)NCc1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 11744063 | 16598 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 442 | 5 | 1 | 6 | 4.8 | COc1cc(OC)c2c(c1)ncn2C/C=C1\c2ccccc2COc2ccc(C(=O)O)cc21 | 10.1021/jm00096a017 | |||
| CHEMBL113944 | 16598 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 442 | 5 | 1 | 6 | 4.8 | COc1cc(OC)c2c(c1)ncn2C/C=C1\c2ccccc2COc2ccc(C(=O)O)cc21 | 10.1021/jm00096a017 | |||
| 10480645 | 17910 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 488 | 5 | 2 | 5 | 5.8 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc(C(O)c4ccccc4)ccc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL117821 | 17910 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 488 | 5 | 2 | 5 | 5.8 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc(C(O)c4ccccc4)ccc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 10253895 | 16670 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 464 | 7 | 3 | 4 | 5.2 | O=C(O)c1ccc2c(c1)C(SCC/N=C(\S)NCc1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL114324 | 16670 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 464 | 7 | 3 | 4 | 5.2 | O=C(O)c1ccc2c(c1)C(SCC/N=C(\S)NCc1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 10480363 | 117174 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 481 | 8 | 2 | 5 | 4.7 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)/C=C/c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL324364 | 117174 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 481 | 8 | 2 | 5 | 4.7 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)/C=C/c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 10480363 | 117174 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 481 | 8 | 2 | 5 | 4.7 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)/C=C/c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL324364 | 117174 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 481 | 8 | 2 | 5 | 4.7 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)/C=C/c1ccccc1)c1ccccc1CO2 | 10.1021/jm00096a016 | |||
| 44411791 | 84846 | 0 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 381 | 5 | 1 | 3 | 5.1 | O=Cc1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL210045 | 84846 | 0 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 381 | 5 | 1 | 3 | 5.1 | O=Cc1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 | 10.1016/j.bmcl.2006.02.062 | |||
| 3078923 | 16629 | 5 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 533 | 7 | 2 | 5 | 4.8 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1cc(Br)ccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL114102 | 16629 | 5 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 533 | 7 | 2 | 5 | 4.8 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1cc(Br)ccc1CO2 | 10.1021/jm00096a016 | |||
| 3078923 | 16629 | 5 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 533 | 7 | 2 | 5 | 4.8 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1cc(Br)ccc1CO2 | 10.1021/jm00096a016 | |||
| CHEMBL114102 | 16629 | 5 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 533 | 7 | 2 | 5 | 4.8 | O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1cc(Br)ccc1CO2 | 10.1021/jm00096a016 | |||
| 10456399 | 16654 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 450 | 3 | 1 | 4 | 5.8 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ccc(C(F)(F)F)cc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL114257 | 16654 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 450 | 3 | 1 | 4 | 5.8 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ccc(C(F)(F)F)cc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 14953106 | 70114 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 367 | 7 | 1 | 5 | 4.0 | CC(C)(CC(=O)O)Cc1nc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 | 10.1021/jm00061a008 | |||
| CHEMBL17941 | 70114 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 367 | 7 | 1 | 5 | 4.0 | CC(C)(CC(=O)O)Cc1nc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 | 10.1021/jm00061a008 | |||
| 10359399 | 17296 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 332 | 3 | 1 | 4 | 3.6 | O=C(O)c1ccc2c(c1)/C(=C/Cn1ccnc1)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL116869 | 17296 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 332 | 3 | 1 | 4 | 3.6 | O=C(O)c1ccc2c(c1)/C(=C/Cn1ccnc1)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 44338319 | 13979 | 0 | None | -5 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 405 | 6 | 1 | 5 | 5.1 | COC(=O)c1ccc(CNc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| CHEMBL108564 | 13979 | 0 | None | -5 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 405 | 6 | 1 | 5 | 5.1 | COC(=O)c1ccc(CNc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| 9917280 | 21312 | 0 | None | -39810 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 633 | 2 | 3 | 3 | 4.3 | Oc1cc2c(cc1O)C(Cc1cc(I)c(I)c(I)c1)NCC2 | 10.1021/jm960208o | |||
| CHEMBL120278 | 21312 | 0 | None | -39810 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 633 | 2 | 3 | 3 | 4.3 | Oc1cc2c(cc1O)C(Cc1cc(I)c(I)c(I)c1)NCC2 | 10.1021/jm960208o | |||
| 50898361 | 63647 | 0 | None | -48 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 5.4 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
| CHEMBL1644003 | 63647 | 0 | None | -48 | 4 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 5.4 | Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)cc1 | 10.1016/j.bmcl.2010.11.118 | |||
| 23964891 | 14227 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 382 | 5 | 0 | 3 | 6.2 | Fc1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| CHEMBL108678 | 14227 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 382 | 5 | 0 | 3 | 6.2 | Fc1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| 44591562 | 191307 | 0 | None | -9120 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 6.3 | CC(C)c1nccc2c1c(Sc1ccc(C(F)(F)F)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL484777 | 191307 | 0 | None | -9120 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 6.3 | CC(C)c1nccc2c1c(Sc1ccc(C(F)(F)F)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 44331597 | 215180 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 737 | 20 | 6 | 8 | 4.0 | [N-]=[N+]=Nc1ccc(CCCC(=O)NCC(=O)NCC2C3CCC(O3)C2C/C=C\CCCC(=O)NNC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@H]32)cc1 | 10.1016/s0960-894x(99)00511-9 | |||
| CHEMBL99695 | 215180 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 737 | 20 | 6 | 8 | 4.0 | [N-]=[N+]=Nc1ccc(CCCC(=O)NCC(=O)NCC2C3CCC(O3)C2C/C=C\CCCC(=O)NNC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@H]32)cc1 | 10.1016/s0960-894x(99)00511-9 | |||
| 44591536 | 198006 | 0 | None | -549 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 448 | 6 | 1 | 4 | 6.8 | CCCc1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL518987 | 198006 | 0 | None | -549 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 448 | 6 | 1 | 4 | 6.8 | CCCc1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 10251769 | 16749 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 424 | 4 | 1 | 4 | 5.3 | Cc1cc2ncn(C/C=C3\c4ccccc4COc4ccc(CC(=O)O)cc43)c2cc1C | 10.1021/jm00096a017 | |||
| CHEMBL114798 | 16749 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 424 | 4 | 1 | 4 | 5.3 | Cc1cc2ncn(C/C=C3\c4ccccc4COc4ccc(CC(=O)O)cc43)c2cc1C | 10.1021/jm00096a017 | |||
| 1986 | 8094 | 50 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 353 | 7 | 2 | 3 | 2.5 | OC(=O)Cc1ccc(cc1)CCNS(=O)(=O)c1ccc(cc1)Cl | 10.1021/jm00096a017 | |||
| 54343 | 8094 | 50 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 353 | 7 | 2 | 3 | 2.5 | OC(=O)Cc1ccc(cc1)CCNS(=O)(=O)c1ccc(cc1)Cl | 10.1021/jm00096a017 | |||
| CHEMBL71685 | 8094 | 50 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 353 | 7 | 2 | 3 | 2.5 | OC(=O)Cc1ccc(cc1)CCNS(=O)(=O)c1ccc(cc1)Cl | 10.1021/jm00096a017 | |||
| 15948325 | 9304 | 45 | None | -512 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 603 | 11 | 1 | 8 | 4.7 | CCOc1c2CN(C(=O)c2c(c2c1nccc2)OCC)c1ccc(cc1C)CS(=O)(=O)NC(=O)Cc1ccccc1OC | 10.1016/j.bmcl.2008.01.103 | |||
| 5856 | 9304 | 45 | None | -512 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 603 | 11 | 1 | 8 | 4.7 | CCOc1c2CN(C(=O)c2c(c2c1nccc2)OCC)c1ccc(cc1C)CS(=O)(=O)NC(=O)Cc1ccccc1OC | 10.1016/j.bmcl.2008.01.103 | |||
| CHEMBL402162 | 9304 | 45 | None | -512 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 603 | 11 | 1 | 8 | 4.7 | CCOc1c2CN(C(=O)c2c(c2c1nccc2)OCC)c1ccc(cc1C)CS(=O)(=O)NC(=O)Cc1ccccc1OC | 10.1016/j.bmcl.2008.01.103 | |||
| 10047167 | 85242 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 410 | 3 | 1 | 4 | 5.4 | Cc1cc2ncn(C/C=C3/c4ccccc4COc4ccc(C(=O)O)cc43)c2cc1C | 10.1021/jm00096a017 | |||
| CHEMBL2111756 | 85242 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 410 | 3 | 1 | 4 | 5.4 | Cc1cc2ncn(C/C=C3/c4ccccc4COc4ccc(C(=O)O)cc43)c2cc1C | 10.1021/jm00096a017 | |||
| 10458032 | 198998 | 0 | None | -17 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 484 | 5 | 1 | 6 | 5.0 | CS(=O)(=O)c1ccnc2c1c(Sc1ccc(C(F)(F)F)cc1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL520481 | 198998 | 0 | None | -17 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 484 | 5 | 1 | 6 | 5.0 | CS(=O)(=O)c1ccnc2c1c(Sc1ccc(C(F)(F)F)cc1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 11742649 | 190908 | 0 | None | -39 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 416 | 5 | 1 | 6 | 3.9 | CS(=O)(=O)c1ccnc2c1c(Sc1ccccc1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL482743 | 190908 | 0 | None | -39 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 416 | 5 | 1 | 6 | 3.9 | CS(=O)(=O)c1ccnc2c1c(Sc1ccccc1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 53326879 | 63584 | 0 | None | -5 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.4 | CN([C@@H]1CCc2c(CC(=O)O)c3cc(S(C)(=O)=O)ccc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.6019/CHEMBL5212743 | |||
| CHEMBL1643772 | 63584 | 0 | None | -5 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.4 | CN([C@@H]1CCc2c(CC(=O)O)c3cc(S(C)(=O)=O)ccc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.6019/CHEMBL5212743 | |||
| 51550 | 212529 | 14 | None | -11 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 335 | 8 | 2 | 4 | 1.7 | O=C(O)COc1ccc(CCNS(=O)(=O)c2ccccc2)cc1 | 10.1021/jm00061a008 | |||
| CHEMBL8273 | 212529 | 14 | None | -11 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 335 | 8 | 2 | 4 | 1.7 | O=C(O)COc1ccc(CCNS(=O)(=O)c2ccccc2)cc1 | 10.1021/jm00061a008 | |||
| 14953071 | 105029 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 378 | 5 | 1 | 4 | 4.8 | CC(C)(Sc1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1)C(=O)O | 10.1021/jm00061a008 | |||
| CHEMBL274485 | 105029 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 378 | 5 | 1 | 4 | 4.8 | CC(C)(Sc1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1)C(=O)O | 10.1021/jm00061a008 | |||
| 25003075 | 13610 | 18 | None | -23988 | 7 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 478 | 6 | 2 | 3 | 5.8 | O=C(O)c1ccc(C2(NC(=O)c3cccc4ccn(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.065 | |||
| CHEMBL1084009 | 13610 | 18 | None | -23988 | 7 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 478 | 6 | 2 | 3 | 5.8 | O=C(O)c1ccc(C2(NC(=O)c3cccc4ccn(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.065 | |||
| 10158956 | 103106 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 417 | 5 | 1 | 4 | 5.8 | CC(=O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL261471 | 103106 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 417 | 5 | 1 | 4 | 5.8 | CC(=O)c1cc(F)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| 44450496 | 166729 | 1 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 477 | 5 | 1 | 5 | 4.8 | CS(=O)(=O)c1cc(F)cc2c1c(C(=O)c1ccc(Cl)cc1)c1n2CCCCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL410736 | 166729 | 1 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 477 | 5 | 1 | 5 | 4.8 | CS(=O)(=O)c1cc(F)cc2c1c(C(=O)c1ccc(Cl)cc1)c1n2CCCCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| 25817650 | 69968 | 1 | None | -7244 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 416 | 5 | 1 | 4 | 3.0 | CN([C@@H]1CCc2c(c3ccccc3n2CC(=O)O)C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL179036 | 69968 | 1 | None | -7244 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 416 | 5 | 1 | 4 | 3.0 | CN([C@@H]1CCc2c(c3ccccc3n2CC(=O)O)C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| 44591512 | 199329 | 0 | None | -691 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 6.4 | CCc1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL521122 | 199329 | 0 | None | -691 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 6.4 | CCc1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 10344683 | 195641 | 0 | None | -4897 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 470 | 5 | 1 | 6 | 4.9 | CS(=O)(=O)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL506909 | 195641 | 0 | None | -4897 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 470 | 5 | 1 | 6 | 4.9 | CS(=O)(=O)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 10225819 | 103024 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 449 | 5 | 1 | 5 | 4.0 | CS(=O)(=O)c1cc(F)cc2c1c(C(=O)c1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL261008 | 103024 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 449 | 5 | 1 | 5 | 4.0 | CS(=O)(=O)c1cc(F)cc2c1c(C(=O)c1ccc(Cl)cc1)c1n2CCC1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| 44591457 | 195847 | 0 | None | -8 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 414 | 5 | 1 | 4 | 6.3 | CC(C)c1ccnc2c1c(Sc1ccc(Cl)cc1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL509685 | 195847 | 0 | None | -8 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 414 | 5 | 1 | 4 | 6.3 | CC(C)c1ccnc2c1c(Sc1ccc(Cl)cc1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 14953115 | 105690 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 403 | 7 | 1 | 5 | 4.9 | CSc1ccc(Cn2c(CC(C)(C)CC(=O)O)nc3cc(Cl)cnc32)cc1 | 10.1021/jm00061a008 | |||
| CHEMBL279348 | 105690 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 403 | 7 | 1 | 5 | 4.9 | CSc1ccc(Cn2c(CC(C)(C)CC(=O)O)nc3cc(Cl)cnc32)cc1 | 10.1021/jm00061a008 | |||
| 10251338 | 118112 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 416 | 5 | 2 | 4 | 5.2 | O=C(O)c1ccc2c(c1)C(SCCc1nc3ccccc3[nH]1)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL326856 | 118112 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 416 | 5 | 2 | 4 | 5.2 | O=C(O)c1ccc2c(c1)C(SCCc1nc3ccccc3[nH]1)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 10366462 | 16700 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 449 | 7 | 2 | 5 | 5.0 | O=C(NCCSC1c2ccccc2COc2ccc(C(=O)O)cc21)OCc1ccccc1 | 10.1021/jm00096a016 | |||
| CHEMBL114473 | 16700 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 449 | 7 | 2 | 5 | 5.0 | O=C(NCCSC1c2ccccc2COc2ccc(C(=O)O)cc21)OCc1ccccc1 | 10.1021/jm00096a016 | |||
| 10366462 | 16700 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 449 | 7 | 2 | 5 | 5.0 | O=C(NCCSC1c2ccccc2COc2ccc(C(=O)O)cc21)OCc1ccccc1 | 10.1021/jm00096a016 | |||
| CHEMBL114473 | 16700 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 449 | 7 | 2 | 5 | 5.0 | O=C(NCCSC1c2ccccc2COc2ccc(C(=O)O)cc21)OCc1ccccc1 | 10.1021/jm00096a016 | |||
| 44411809 | 84146 | 0 | None | 2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 383 | 5 | 2 | 3 | 4.7 | O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(CO)cccc21 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL208596 | 84146 | 0 | None | 2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 383 | 5 | 2 | 3 | 4.7 | O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(CO)cccc21 | 10.1016/j.bmcl.2006.02.062 | |||
| 14953072 | 105596 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 374 | 6 | 1 | 3 | 4.9 | CC(C)(CC(=O)O)Cc1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1 | 10.1021/jm00061a008 | |||
| CHEMBL278653 | 105596 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 374 | 6 | 1 | 3 | 4.9 | CC(C)(CC(=O)O)Cc1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1 | 10.1021/jm00061a008 | |||
| 44338292 | 13205 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 376 | 4 | 0 | 4 | 5.2 | COC(=O)c1ccc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| CHEMBL108243 | 13205 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 376 | 4 | 0 | 4 | 5.2 | COC(=O)c1ccc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| 11294166 | 83820 | 0 | None | -3890 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 461 | 6 | 2 | 5 | 4.3 | CC(O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL207203 | 83820 | 0 | None | -3890 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 461 | 6 | 2 | 5 | 4.3 | CC(O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1016/j.bmcl.2006.02.062 | |||
| 11294166 | 83820 | 0 | None | -3890 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 461 | 6 | 2 | 5 | 4.3 | CC(O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1021/jm0603668 | |||
| CHEMBL207203 | 83820 | 0 | None | -3890 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 461 | 6 | 2 | 5 | 4.3 | CC(O)c1cc(S(C)(=O)=O)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 | 10.1021/jm0603668 | |||
| 44450497 | 167333 | 0 | None | -3 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 463 | 5 | 1 | 5 | 4.4 | CS(=O)(=O)c1cc(F)cc2c1c(C(=O)c1ccc(Cl)cc1)c1n2CCC[C@H]1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| CHEMBL411255 | 167333 | 0 | None | -3 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 463 | 5 | 1 | 5 | 4.4 | CS(=O)(=O)c1cc(F)cc2c1c(C(=O)c1ccc(Cl)cc1)c1n2CCC[C@H]1CC(=O)O | 10.1016/j.bmcl.2008.03.015 | |||
| 53316671 | 63591 | 0 | None | -288 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 452 | 5 | 1 | 4 | 3.3 | CN([C@@H]1CCc2c(CC(=O)O)c3cc(F)c(F)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL1643779 | 63591 | 0 | None | -288 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 452 | 5 | 1 | 4 | 3.3 | CN([C@@H]1CCc2c(CC(=O)O)c3cc(F)c(F)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| 11454655 | 74548 | 0 | None | 79 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 490 | 12 | 2 | 5 | 6.1 | CC(SCCc1c(CCCO)oc2c(OCC(=O)O)cccc12)(c1ccccc1)c1ccccc1 | 10.1021/jm050194z | |||
| CHEMBL190840 | 74548 | 0 | None | 79 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 490 | 12 | 2 | 5 | 6.1 | CC(SCCc1c(CCCO)oc2c(OCC(=O)O)cccc12)(c1ccccc1)c1ccccc1 | 10.1021/jm050194z | |||
| 53317957 | 63585 | 0 | None | -660 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 3.2 | CN([C@@H]1CCc2c(CC(=O)O)c3ccc(F)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL1643773 | 63585 | 0 | None | -660 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 3.2 | CN([C@@H]1CCc2c(CC(=O)O)c3ccc(F)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| 22083978 | 83901 | 0 | None | -162 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 499 | 6 | 1 | 5 | 6.0 | CS(=O)(=O)c1cc(-c2cccs2)c2c(c1)c1c(n2Cc2ccc(Cl)cc2)C(CC(=O)O)CC1 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL207689 | 83901 | 0 | None | -162 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 499 | 6 | 1 | 5 | 6.0 | CS(=O)(=O)c1cc(-c2cccs2)c2c(c1)c1c(n2Cc2ccc(Cl)cc2)C(CC(=O)O)CC1 | 10.1016/j.bmcl.2006.02.062 | |||
| 71450058 | 89349 | 0 | None | -37 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 453 | 6 | 1 | 3 | 5.6 | O=C(O)Cc1ccc2c(c1)/C(=C/CN1CCCC(Cc3ccccc3)C1)c1ccccc1CO2 | 10.1021/jm300682j | |||
| CHEMBL2178582 | 89349 | 0 | None | -37 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 453 | 6 | 1 | 3 | 5.6 | O=C(O)Cc1ccc2c(c1)/C(=C/CN1CCCC(Cc3ccccc3)C1)c1ccccc1CO2 | 10.1021/jm300682j | |||
| 44404954 | 142043 | 0 | None | -48 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 453 | 6 | 1 | 3 | 5.6 | O=C(O)Cc1ccc2c(c1)/C(=C\CN1CCC(Cc3ccccc3)CC1)c1ccccc1CO2 | 10.1021/jm058225d | |||
| CHEMBL372588 | 142043 | 0 | None | -48 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 453 | 6 | 1 | 3 | 5.6 | O=C(O)Cc1ccc2c(c1)/C(=C\CN1CCC(Cc3ccccc3)CC1)c1ccccc1CO2 | 10.1021/jm058225d | |||
| 44411814 | 85012 | 0 | None | -218 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 495 | 5 | 1 | 4 | 5.0 | CS(=O)(=O)c1cc(Br)c2c(c1)c1c(n2Cc2cccc(Cl)c2)C(CC(=O)O)CC1 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL210615 | 85012 | 0 | None | -218 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 495 | 5 | 1 | 4 | 5.0 | CS(=O)(=O)c1cc(Br)c2c(c1)c1c(n2Cc2cccc(Cl)c2)C(CC(=O)O)CC1 | 10.1016/j.bmcl.2006.02.062 | |||
| 10455224 | 17239 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 427 | 9 | 2 | 4 | 4.2 | O=C(O)c1cccc(C(SCCNS(=O)(=O)c2ccccc2)c2ccccc2)c1 | 10.1021/jm00096a016 | |||
| CHEMBL116465 | 17239 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 427 | 9 | 2 | 4 | 4.2 | O=C(O)c1cccc(C(SCCNS(=O)(=O)c2ccccc2)c2ccccc2)c1 | 10.1021/jm00096a016 | |||
| 10455224 | 17239 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 427 | 9 | 2 | 4 | 4.2 | O=C(O)c1cccc(C(SCCNS(=O)(=O)c2ccccc2)c2ccccc2)c1 | 10.1021/jm00096a016 | |||
| CHEMBL116465 | 17239 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 427 | 9 | 2 | 4 | 4.2 | O=C(O)c1cccc(C(SCCNS(=O)(=O)c2ccccc2)c2ccccc2)c1 | 10.1021/jm00096a016 | |||
| 11374965 | 75968 | 0 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 476 | 11 | 2 | 5 | 5.7 | CC(SCCc1c(CCO)oc2c(OCC(=O)O)cccc12)(c1ccccc1)c1ccccc1 | 10.1021/jm050194z | |||
| CHEMBL192662 | 75968 | 0 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 476 | 11 | 2 | 5 | 5.7 | CC(SCCc1c(CCO)oc2c(OCC(=O)O)cccc12)(c1ccccc1)c1ccccc1 | 10.1021/jm050194z | |||
| 10432190 | 190875 | 0 | None | -6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 418 | 5 | 1 | 5 | 5.9 | CSc1ccnc2c1c(Sc1ccc(Cl)cc1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL482548 | 190875 | 0 | None | -6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 418 | 5 | 1 | 5 | 5.9 | CSc1ccnc2c1c(Sc1ccc(Cl)cc1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 46890179 | 13829 | 0 | None | -269 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 476 | 7 | 1 | 5 | 4.2 | Cc1c(C2c3ccccc3S(=O)(=O)N2CCOc2ccccc2)c2ccccc2n1CC(=O)O | 10.1016/j.bmcl.2010.04.046 | |||
| CHEMBL1084903 | 13829 | 0 | None | -269 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 476 | 7 | 1 | 5 | 4.2 | Cc1c(C2c3ccccc3S(=O)(=O)N2CCOc2ccccc2)c2ccccc2n1CC(=O)O | 10.1016/j.bmcl.2010.04.046 | |||
| 10431100 | 174863 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 400 | 3 | 1 | 4 | 4.9 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc(F)ccc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL432602 | 174863 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 400 | 3 | 1 | 4 | 4.9 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc(F)ccc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 44271646 | 69765 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 358 | 4 | 1 | 3 | 4.5 | O=C(O)[C@H]1CC[C@@H]1c1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1 | 10.1021/jm00061a008 | |||
| CHEMBL17861 | 69765 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 358 | 4 | 1 | 3 | 4.5 | O=C(O)[C@H]1CC[C@@H]1c1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1 | 10.1021/jm00061a008 | |||
| 44411984 | 84095 | 0 | None | -107 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 517 | 5 | 1 | 4 | 5.7 | CC(C)(C)c1ccc(Cn2c3c(c4cc(S(C)(=O)=O)cc(Br)c42)CCC3CC(=O)O)cc1 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL208319 | 84095 | 0 | None | -107 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 517 | 5 | 1 | 4 | 5.7 | CC(C)(C)c1ccc(Cn2c3c(c4cc(S(C)(=O)=O)cc(Br)c42)CCC3CC(=O)O)cc1 | 10.1016/j.bmcl.2006.02.062 | |||
| 10834286 | 121238 | 0 | None | -19 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 391 | 2 | 3 | 3 | 4.6 | Oc1cc2c(cc1O)C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCC2 | 10.1021/jm960208o | |||
| CHEMBL333438 | 121238 | 0 | None | -19 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 391 | 2 | 3 | 3 | 4.6 | Oc1cc2c(cc1O)C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCC2 | 10.1021/jm960208o | |||
| 14953075 | 105217 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 414 | 6 | 1 | 3 | 5.8 | O=C(O)CC1(Cc2nc3cc(F)ccc3n2Cc2ccc(Cl)cc2)CCCCC1 | 10.1021/jm00061a008 | |||
| CHEMBL275651 | 105217 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 414 | 6 | 1 | 3 | 5.8 | O=C(O)CC1(Cc2nc3cc(F)ccc3n2Cc2ccc(Cl)cc2)CCCCC1 | 10.1021/jm00061a008 | |||
| 10456019 | 170270 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 442 | 5 | 1 | 6 | 4.8 | COc1cc(OC)c2ncn(C/C=C3\c4ccccc4COc4ccc(C(=O)O)cc43)c2c1 | 10.1021/jm00096a017 | |||
| CHEMBL420136 | 170270 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 442 | 5 | 1 | 6 | 4.8 | COc1cc(OC)c2ncn(C/C=C3\c4ccccc4COc4ccc(C(=O)O)cc43)c2c1 | 10.1021/jm00096a017 | |||
| 44411567 | 145621 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 472 | 6 | 2 | 3 | 6.5 | O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(C(=O)Nc3ccccc3)cccc21 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL378151 | 145621 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 472 | 6 | 2 | 3 | 6.5 | O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(C(=O)Nc3ccccc3)cccc21 | 10.1016/j.bmcl.2006.02.062 | |||
| 11282319 | 74438 | 0 | None | 8 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 448 | 10 | 2 | 5 | 5.5 | O=C(O)COc1cccc2c(CCSC(c3ccccc3)c3ccccc3)c(CO)oc12 | 10.1021/jm050194z | |||
| CHEMBL190708 | 74438 | 0 | None | 8 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 448 | 10 | 2 | 5 | 5.5 | O=C(O)COc1cccc2c(CCSC(c3ccccc3)c3ccccc3)c(CO)oc12 | 10.1021/jm050194z | |||
| 53323246 | 63582 | 0 | None | -81 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 3.2 | CN([C@@H]1CCc2c(CC(=O)O)c3c(F)cccc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL1643770 | 63582 | 0 | None | -81 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 3.2 | CN([C@@H]1CCc2c(CC(=O)O)c3c(F)cccc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| 15157541 | 103913 | 0 | None | -5 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 395 | 5 | 1 | 2 | 6.4 | CC(C)c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL267820 | 103913 | 0 | None | -5 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 395 | 5 | 1 | 2 | 6.4 | CC(C)c1cccc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3 | 10.1016/j.bmcl.2006.02.062 | |||
| 10365194 | 17199 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 4.7 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ccc([N+](=O)[O-])cc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL116342 | 17199 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 4.7 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ccc([N+](=O)[O-])cc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 10001037 | 16826 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 400 | 3 | 1 | 4 | 4.9 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ccc(F)cc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| CHEMBL115238 | 16826 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 400 | 3 | 1 | 4 | 4.9 | O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ccc(F)cc31)c1ccccc1CO2 | 10.1021/jm00096a017 | |||
| 44338308 | 15923 | 0 | None | 3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 391 | 5 | 1 | 5 | 5.3 | COC(=O)c1ccc(Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| CHEMBL110063 | 15923 | 0 | None | 3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 391 | 5 | 1 | 5 | 5.3 | COC(=O)c1ccc(Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| 53320617 | 63600 | 0 | None | -575 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 472 | 9 | 1 | 4 | 4.6 | CCCCCN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL1643787 | 63600 | 0 | None | -575 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 472 | 9 | 1 | 4 | 4.6 | CCCCCN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| 44338387 | 117215 | 1 | None | -61 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 422 | 6 | 0 | 5 | 5.8 | COC(=O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| CHEMBL324619 | 117215 | 1 | None | -61 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 422 | 6 | 0 | 5 | 5.8 | COC(=O)c1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| 10029290 | 16655 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 509 | 9 | 2 | 7 | 4.6 | COc1cc(C(=O)NCCSC2c3ccccc3COc3ccc(C(=O)O)cc32)cc(OC)c1OC | 10.1021/jm00096a016 | |||
| CHEMBL114260 | 16655 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 509 | 9 | 2 | 7 | 4.6 | COc1cc(C(=O)NCCSC2c3ccccc3COc3ccc(C(=O)O)cc32)cc(OC)c1OC | 10.1021/jm00096a016 | |||
| 10029290 | 16655 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 509 | 9 | 2 | 7 | 4.6 | COc1cc(C(=O)NCCSC2c3ccccc3COc3ccc(C(=O)O)cc32)cc(OC)c1OC | 10.1021/jm00096a016 | |||
| CHEMBL114260 | 16655 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 509 | 9 | 2 | 7 | 4.6 | COc1cc(C(=O)NCCSC2c3ccccc3COc3ccc(C(=O)O)cc32)cc(OC)c1OC | 10.1021/jm00096a016 | |||
| 11519006 | 109263 | 0 | None | -151 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 481 | 8 | 1 | 5 | 6.1 | O=C(O)COc1cccc(C[C@@H]2CCC[C@H]3O[C@]23c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.076 | |||
| CHEMBL2373410 | 109263 | 0 | None | -151 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 481 | 8 | 1 | 5 | 6.1 | O=C(O)COc1cccc(C[C@@H]2CCC[C@H]3O[C@]23c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.076 | |||
| CHEMBL3040272 | 109263 | 0 | None | -151 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 481 | 8 | 1 | 5 | 6.1 | O=C(O)COc1cccc(C[C@@H]2CCC[C@H]3O[C@]23c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.076 | |||
| 44338389 | 12729 | 0 | None | -8 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 422 | 6 | 0 | 5 | 5.8 | COC(=O)c1cccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2004.04.005 | |||
| CHEMBL107988 | 12729 | 0 | None | -8 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 422 | 6 | 0 | 5 | 5.8 | COC(=O)c1cccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2004.04.005 | |||
| 44138108 | 191064 | 0 | None | -2884 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 6.6 | CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CC[C@@H]1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL483991 | 191064 | 0 | None | -2884 | 6 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 434 | 5 | 1 | 4 | 6.6 | CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CC[C@@H]1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 44338257 | 16081 | 0 | None | 4 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 389 | 5 | 0 | 4 | 5.9 | N#Cc1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| CHEMBL111006 | 16081 | 0 | None | 4 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 389 | 5 | 0 | 4 | 5.9 | N#Cc1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.005 | |||
| 10590325 | 136454 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 300 | 3 | 3 | 5 | 2.4 | O=[N+]([O-])c1ccc(CC2NCCc3cc(O)c(O)cc32)cc1 | 10.1021/jm950896w | |||
| CHEMBL367394 | 136454 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 300 | 3 | 3 | 5 | 2.4 | O=[N+]([O-])c1ccc(CC2NCCc3cc(O)c(O)cc32)cc1 | 10.1021/jm950896w | |||
| 44411813 | 146024 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 477 | 6 | 1 | 3 | 6.4 | O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c([S+]([O-])c3ccccc3)cccc21 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL378929 | 146024 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 477 | 6 | 1 | 3 | 6.4 | O=C(O)CC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c([S+]([O-])c3ccccc3)cccc21 | 10.1016/j.bmcl.2006.02.062 | |||
| 53319320 | 63593 | 0 | None | -954 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 452 | 5 | 1 | 4 | 3.3 | CN([C@@H]1CCc2c(CC(=O)O)c3ccc(F)c(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| CHEMBL1643780 | 63593 | 0 | None | -954 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 452 | 5 | 1 | 4 | 3.3 | CN([C@@H]1CCc2c(CC(=O)O)c3ccc(F)c(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1 | 10.1016/j.bmcl.2010.11.015 | |||
| 14372503 | 85076 | 0 | None | -12 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 431 | 5 | 1 | 4 | 4.6 | CS(=O)(=O)c1ccc2c(c1)c1c(n2Cc2ccc(Cl)cc2)C(CC(=O)O)CCC1 | 10.1016/j.bmcl.2006.02.062 | |||
| CHEMBL210807 | 85076 | 0 | None | -12 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 431 | 5 | 1 | 4 | 4.6 | CS(=O)(=O)c1ccc2c(c1)c1c(n2Cc2ccc(Cl)cc2)C(CC(=O)O)CCC1 | 10.1016/j.bmcl.2006.02.062 | |||
| 44591514 | 198558 | 0 | None | -398 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 446 | 5 | 1 | 4 | 6.7 | O=C(O)CC1CCCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(C3CC3)nccc12 | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL519803 | 198558 | 0 | None | -398 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 446 | 5 | 1 | 4 | 6.7 | O=C(O)CC1CCCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(C3CC3)nccc12 | 10.1016/j.bmcl.2009.03.010 | |||
| 10028338 | 186599 | 0 | None | -776 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 484 | 5 | 1 | 6 | 5.3 | CS(=O)(=O)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| CHEMBL474502 | 186599 | 0 | None | -776 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 484 | 5 | 1 | 6 | 5.3 | CS(=O)(=O)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCCC1CC(=O)O | 10.1016/j.bmcl.2009.03.010 | |||
| 65772 | 67177 | 8 | None | -9 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | |||
| CHEMBL174984 | 67177 | 8 | None | -9 | 6 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | None | |||
| 2449 | 211009 | 94 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 354 | 8 | 1 | 3 | 4.6 | CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O | None | |||
| CHEMBL70972 | 211009 | 94 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 354 | 8 | 1 | 3 | 4.6 | CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O | None | |||
| 6069 | 6790 | 0 | None | -8 | 8 | Human | 7.0 | pKd | = | 7 | Binding | Guide to Pharmacology | 386 | 12 | 2 | 3 | 4.7 | CCCCC[C@@H](/C=C/[C@H]1C[C@@H]2O[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2(F)F)O | 2748606 | |||
| 73755171 | 6790 | 0 | None | -8 | 8 | Human | 7.0 | pKd | = | 7 | Binding | Guide to Pharmacology | 386 | 12 | 2 | 3 | 4.7 | CCCCC[C@@H](/C=C/[C@H]1C[C@@H]2O[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2(F)F)O | 2748606 | |||
| 1980 | 10434 | 0 | None | -8 | 9 | Human | 7.8 | pKd | = | 7.8 | Binding | Guide to Pharmacology | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | 10634944 | |||
| 1980 | 10434 | 0 | None | -8 | 9 | Human | 7.8 | pKd | = | 7.8 | Binding | Guide to Pharmacology | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | 16604093 | |||
| 1985 | 10434 | 0 | None | -8 | 9 | Human | 7.8 | pKd | = | 7.8 | Binding | Guide to Pharmacology | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | 10634944 | |||
| 1985 | 10434 | 0 | None | -8 | 9 | Human | 7.8 | pKd | = | 7.8 | Binding | Guide to Pharmacology | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | 16604093 | |||
| 6437074 | 10434 | 0 | None | -8 | 9 | Human | 7.8 | pKd | = | 7.8 | Binding | Guide to Pharmacology | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | 10634944 | |||
| 6437074 | 10434 | 0 | None | -8 | 9 | Human | 7.8 | pKd | = | 7.8 | Binding | Guide to Pharmacology | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | 16604093 | |||
| 1938 | 8750 | 18 | None | -1 | 4 | Human | 9.1 | pKd | = | 9.1 | Binding | Guide to Pharmacology | 512 | 11 | 2 | 4 | 4.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1/C=C/[C@H](COc1ccc(cc1)I)O)O2 | 1830308 | |||
| 5311175 | 8750 | 18 | None | -1 | 4 | Human | 9.1 | pKd | = | 9.1 | Binding | Guide to Pharmacology | 512 | 11 | 2 | 4 | 4.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1/C=C/[C@H](COc1ccc(cc1)I)O)O2 | 1830308 | |||
| CHEMBL2113346 | 8750 | 18 | None | -1 | 4 | Human | 9.1 | pKd | = | 9.1 | Binding | Guide to Pharmacology | 512 | 11 | 2 | 4 | 4.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1/C=C/[C@H](COc1ccc(cc1)I)O)O2 | 1830308 | |||
| 22524604 | 8859 | 0 | None | - | 1 | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | 531 | 9 | 2 | 3 | 4.8 | OC(=O)CCC/C=C\C[C@@H]1[C@H](C[C@@H]2C[C@H]1C2(C)C)NS(=O)(=O)c1ccc(cc1)I | 1386885 | |||
| 3332 | 8859 | 0 | None | - | 1 | Human | 9.3 | pKd | = | 9.3 | Binding | Guide to Pharmacology | 531 | 9 | 2 | 3 | 4.8 | OC(=O)CCC/C=C\C[C@@H]1[C@H](C[C@@H]2C[C@H]1C2(C)C)NS(=O)(=O)c1ccc(cc1)I | 1386885 | |||
| 1888 | 10672 | 29 | None | 2 | 17 | Human | 7.8 | pKd | None | 7.8 | Binding | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 10634944 | |||
| 1974 | 10672 | 29 | None | 2 | 17 | Human | 7.8 | pKd | None | 7.8 | Binding | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 10634944 | |||
| 5311493 | 10672 | 29 | None | 2 | 17 | Human | 7.8 | pKd | None | 7.8 | Binding | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 10634944 | |||
| CHEMBL521784 | 10672 | 29 | None | 2 | 17 | Human | 7.8 | pKd | None | 7.8 | Binding | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 10634944 | |||
| 134694160 | 8243 | 0 | None | -1 | 2 | Mouse | 8.5 | pKd | None | 8.5 | Binding | Guide to Pharmacology | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | 1375456 | |||
| 1979 | 8243 | 0 | None | -1 | 2 | Mouse | 8.5 | pKd | None | 8.5 | Binding | Guide to Pharmacology | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | 1375456 | |||
| 1984 | 8243 | 0 | None | -1 | 2 | Mouse | 8.5 | pKd | None | 8.5 | Binding | Guide to Pharmacology | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | 1375456 | |||
| 3165 | 8243 | 0 | None | -1 | 2 | Mouse | 8.5 | pKd | None | 8.5 | Binding | Guide to Pharmacology | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | 1375456 | |||
| 5312138 | 8243 | 0 | None | -1 | 2 | Mouse | 8.5 | pKd | None | 8.5 | Binding | Guide to Pharmacology | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | 1375456 | |||
| CHEMBL3301671 | 8243 | 0 | None | -1 | 2 | Mouse | 8.5 | pKd | None | 8.5 | Binding | Guide to Pharmacology | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | 1375456 | |||
| 134694160 | 8243 | 0 | None | 1 | 2 | Human | 8.9 | pKd | None | 8.9 | Binding | Guide to Pharmacology | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | 1825698 | |||
| 1979 | 8243 | 0 | None | 1 | 2 | Human | 8.9 | pKd | None | 8.9 | Binding | Guide to Pharmacology | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | 1825698 | |||
| 1984 | 8243 | 0 | None | 1 | 2 | Human | 8.9 | pKd | None | 8.9 | Binding | Guide to Pharmacology | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | 1825698 | |||
| 3165 | 8243 | 0 | None | 1 | 2 | Human | 8.9 | pKd | None | 8.9 | Binding | Guide to Pharmacology | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | 1825698 | |||
| 5312138 | 8243 | 0 | None | 1 | 2 | Human | 8.9 | pKd | None | 8.9 | Binding | Guide to Pharmacology | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | 1825698 | |||
| CHEMBL3301671 | 8243 | 0 | None | 1 | 2 | Human | 8.9 | pKd | None | 8.9 | Binding | Guide to Pharmacology | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | 1825698 | |||
| 1980 | 10434 | 0 | None | 8 | 9 | Rat | 9.0 | pKd | None | 9 | Binding | Guide to Pharmacology | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | 7635958 | |||
| 1985 | 10434 | 0 | None | 8 | 9 | Rat | 9.0 | pKd | None | 9 | Binding | Guide to Pharmacology | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | 7635958 | |||
| 6437074 | 10434 | 0 | None | 8 | 9 | Rat | 9.0 | pKd | None | 9 | Binding | Guide to Pharmacology | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | 7635958 | |||
| 135398737 | 7745 | 93 | 3H-SQ 29548 | -416 | 90 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 38 | 7745 | 93 | 3H-SQ 29548 | -416 | 90 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 722 | 7745 | 93 | 3H-SQ 29548 | -416 | 90 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| CHEMBL42 | 7745 | 93 | 3H-SQ 29548 | -416 | 90 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| DB00363 | 7745 | 93 | 3H-SQ 29548 | -416 | 90 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | |||
| 1222 | 8445 | 49 | 3H-SQ 29548 | -1659 | 32 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 3396 | 8445 | 49 | 3H-SQ 29548 | -1659 | 32 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 85 | 8445 | 49 | 3H-SQ 29548 | -1659 | 32 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| CHEMBL46516 | 8445 | 49 | 3H-SQ 29548 | -1659 | 32 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| DB04842 | 8445 | 49 | 3H-SQ 29548 | -1659 | 32 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | None | |||
| 1353 | 8692 | 93 | 3H-SQ 29548 | -691 | 85 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 3559 | 8692 | 93 | 3H-SQ 29548 | -691 | 85 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 86 | 8692 | 93 | 3H-SQ 29548 | -691 | 85 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| CHEMBL54 | 8692 | 93 | 3H-SQ 29548 | -691 | 85 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| DB00502 | 8692 | 93 | 3H-SQ 29548 | -691 | 85 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | |||
| 135398745 | 9688 | 112 | 3H-SQ 29548 | -512 | 65 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 47 | 9688 | 112 | 3H-SQ 29548 | -512 | 65 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| CHEMBL715 | 9688 | 112 | 3H-SQ 29548 | -512 | 65 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| DB00334 | 9688 | 112 | 3H-SQ 29548 | -512 | 65 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | |||
| 2181 | 9902 | 46 | 3H-SQ 29548 | -831 | 34 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
| 4830 | 9902 | 46 | 3H-SQ 29548 | -831 | 34 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
| 92 | 9902 | 46 | 3H-SQ 29548 | -831 | 34 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
| CHEMBL440294 | 9902 | 46 | 3H-SQ 29548 | -831 | 34 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
| DB09286 | 9902 | 46 | 3H-SQ 29548 | -831 | 34 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 375 | 7 | 1 | 4 | 2.6 | O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N | None | |||
| 2337 | 10030 | 77 | 3H-SQ 29548 | -112 | 62 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 50 | 10030 | 77 | 3H-SQ 29548 | -112 | 62 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 5002 | 10030 | 77 | 3H-SQ 29548 | -112 | 62 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| CHEMBL716 | 10030 | 77 | 3H-SQ 29548 | -112 | 62 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| DB01224 | 10030 | 77 | 3H-SQ 29548 | -112 | 62 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | |||
| 2389 | 10104 | 118 | 3H-SQ 29548 | -2691 | 66 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 5073 | 10104 | 118 | 3H-SQ 29548 | -2691 | 66 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 96 | 10104 | 118 | 3H-SQ 29548 | -2691 | 66 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| CHEMBL85 | 10104 | 118 | 3H-SQ 29548 | -2691 | 66 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| DB00734 | 10104 | 118 | 3H-SQ 29548 | -2691 | 66 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | |||
| 2435 | 10362 | 83 | 3H-SQ 29548 | -1949 | 48 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| 60149 | 10362 | 83 | 3H-SQ 29548 | -1949 | 48 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| 98 | 10362 | 83 | 3H-SQ 29548 | -1949 | 48 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| CHEMBL12713 | 10362 | 83 | 3H-SQ 29548 | -1949 | 48 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| DB06144 | 10362 | 83 | 3H-SQ 29548 | -1949 | 48 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | None | |||
| 2865 | 10915 | 73 | 3H-SQ 29548 | -2041 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 59 | 10915 | 73 | 3H-SQ 29548 | -2041 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 60854 | 10915 | 73 | 3H-SQ 29548 | -2041 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| CHEMBL708 | 10915 | 73 | 3H-SQ 29548 | -2041 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| DB00246 | 10915 | 73 | 3H-SQ 29548 | -2041 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | |||
| 103 | 10925 | 61 | 3H-SQ 29548 | -831 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 2875 | 10925 | 61 | 3H-SQ 29548 | -831 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 5736 | 10925 | 61 | 3H-SQ 29548 | -831 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| CHEMBL285802 | 10925 | 61 | 3H-SQ 29548 | -831 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| DB09225 | 10925 | 61 | 3H-SQ 29548 | -831 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | |||
| 115237 | 62359 | 119 | 3H-SQ 29548 | -4265 | 54 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
| CHEMBL1621 | 62359 | 119 | 3H-SQ 29548 | -4265 | 54 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | |||
| 46780481 | 114308 | 20 | 3H-SQ 29548 | -5888 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| 9903970 | 114308 | 20 | 3H-SQ 29548 | -5888 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| CHEMBL3187365 | 114308 | 20 | 3H-SQ 29548 | -5888 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| CHEMBL3544974 | 114308 | 20 | 3H-SQ 29548 | -5888 | 53 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | |||
| 1881 | 9853 | 0 | 3H-15(S)9,11-epoxymethano PGH2 | -4570 | 21 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| 1891 | 9853 | 0 | 3H-15(S)9,11-epoxymethano PGH2 | -4570 | 21 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| 448457 | 9853 | 0 | 3H-15(S)9,11-epoxymethano PGH2 | -4570 | 21 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| CHEMBL1235252 | 9853 | 0 | 3H-15(S)9,11-epoxymethano PGH2 | -4570 | 21 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| DB02056 | 9853 | 0 | 3H-15(S)9,11-epoxymethano PGH2 | -4570 | 21 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1C(=O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| 138 | 9855 | 88 | 3H-15(S)9,11-epoxymethano PGH2 | -10000 | 18 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
| 1882 | 9855 | 88 | 3H-15(S)9,11-epoxymethano PGH2 | -10000 | 18 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
| 5280723 | 9855 | 88 | 3H-15(S)9,11-epoxymethano PGH2 | -10000 | 18 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
| CHEMBL495 | 9855 | 88 | 3H-15(S)9,11-epoxymethano PGH2 | -10000 | 18 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
| DB00770 | 9855 | 88 | 3H-15(S)9,11-epoxymethano PGH2 | -10000 | 18 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 354 | 13 | 3 | 4 | 3.5 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | None | |||
| 1883 | 9856 | 75 | 3H-15(S)9,11-epoxymethano PGH2 | -10000 | 24 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| 1916 | 9856 | 75 | 3H-15(S)9,11-epoxymethano PGH2 | -10000 | 24 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| 5280360 | 9856 | 75 | 3H-15(S)9,11-epoxymethano PGH2 | -10000 | 24 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| 913 | 9856 | 75 | 3H-15(S)9,11-epoxymethano PGH2 | -10000 | 24 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| CHEMBL548 | 9856 | 75 | 3H-15(S)9,11-epoxymethano PGH2 | -10000 | 24 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| DB00917 | 9856 | 75 | 3H-15(S)9,11-epoxymethano PGH2 | -10000 | 24 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| 1884 | 9857 | 52 | 3H-15(S)9,11-epoxymethano PGH2 | -3019 | 22 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| 5280363 | 9857 | 52 | 3H-15(S)9,11-epoxymethano PGH2 | -3019 | 22 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| 912 | 9857 | 52 | 3H-15(S)9,11-epoxymethano PGH2 | -3019 | 22 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| CHEMBL815 | 9857 | 52 | 3H-15(S)9,11-epoxymethano PGH2 | -3019 | 22 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| DB12789 | 9857 | 52 | 3H-15(S)9,11-epoxymethano PGH2 | -3019 | 22 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| 243 | 9976 | 91 | 3H-SQ 29548 | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | |||
| 3052762 | 9976 | 91 | 3H-SQ 29548 | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | |||
| 3502 | 9976 | 91 | 3H-SQ 29548 | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | |||
| CHEMBL117287 | 9976 | 91 | 3H-SQ 29548 | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | |||
| DB06480 | 9976 | 91 | 3H-SQ 29548 | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | |||
| 44208932 | 147485 | 7 | UNDEFINED | -89125 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | |||
| CHEMBL381689 | 147485 | 7 | UNDEFINED | -89125 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | |||
| None | 223216 | 0 | 3H-15(S)9,11-epoxymethano PGH2 | - | 1 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 368 | 12 | 4 | 4 | 3.4 | CCCCCC(C)(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O | None | |||
| None | 223218 | 0 | 3H-15(S)9,11-epoxymethano PGH2 | - | 1 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 304 | 14 | 1 | 1 | 6.2 | CCCCCC=CCC=CCC=CCC=CCCCC(=O)O | None | |||
| None | 223272 | 0 | 3H-SQ 29548 | -10471285 | 17 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 372 | 2 | 1 | 3 | 4.4 | CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=N3)Cl | None | |||
| None | 223213 | 0 | 3H-15(S)9,11-epoxymethano PGH2 | - | 1 | Mouse | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 348 | 12 | 2 | 4 | 4.5 | CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)N=N2)O | None | |||
| None | 222904 | 0 | 125I-BOP | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 541 | 11 | 4 | 4 | 4.7 | CC1(C2CC1C(C(C2)NCC(CC3=CC(=C(C=C3)O)I)O)CC=CCCCC(=O)O)C | None | |||
| None | 222904 | 0 | 125I-BOP | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 541 | 11 | 4 | 4 | 4.7 | CC1(C2CC1C(C(C2)NCC(CC3=CC(=C(C=C3)O)I)O)CC=CCCCC(=O)O)C | None | |||
| None | 223217 | 0 | 3H-15(S)9,11-epoxymethano PGH2 | - | 1 | Mouse | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 388 | 12 | 2 | 4 | 4.1 | CCCCCC(C=CC1C(C2C(C(O1)O2)(F)F)CC=CCCCC(=O)O)O | None | |||
| 1980 | 10434 | 0 | 125I-BOP | -8 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | None | |||
| 1985 | 10434 | 0 | 125I-BOP | -8 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | None | |||
| 6437074 | 10434 | 0 | 125I-BOP | -8 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | None | |||
| 1980 | 10434 | 0 | 125I-BOP | -8 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | None | |||
| 1985 | 10434 | 0 | 125I-BOP | -8 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | None | |||
| 6437074 | 10434 | 0 | 125I-BOP | -8 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | None | |||
| None | 222998 | 0 | 125I-BOP | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 373 | 4 | 1 | 2 | 5.2 | C1CC(C2C(C1)C3=C(N2CC4=CC=C(C=C4)Cl)C=CC(=C3)F)CC(=O)O | None | |||
| 1980 | 10434 | 0 | 125I-BOP | -8 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | None | |||
| 1985 | 10434 | 0 | 125I-BOP | -8 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | None | |||
| 6437074 | 10434 | 0 | 125I-BOP | -8 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | None | |||
| None | 223212 | 0 | 3H-15(S)9,11-epoxymethano PGH2 | - | 1 | Mouse | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 352 | 12 | 2 | 4 | 4.0 | CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)OO2)O | None | |||
| 1888 | 10672 | 29 | 3H-SQ 29548 | 2 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | None | |||
| 1974 | 10672 | 29 | 3H-SQ 29548 | 2 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | None | |||
| 5311493 | 10672 | 29 | 3H-SQ 29548 | 2 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | None | |||
| CHEMBL521784 | 10672 | 29 | 3H-SQ 29548 | 2 | 17 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | None | |||
| None | 223212 | 0 | 3H-15(S)9,11-epoxymethano PGH2 | - | 1 | Mouse | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 352 | 12 | 2 | 4 | 4.0 | CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)OO2)O | None | |||
| None | 223005 | 0 | 3H-SQ 29548 | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 422 | 15 | 3 | 4 | 3.2 | CCCCCCC(=O)NCC(=O)NCC1C2CCC(C1CC=CCCCC(=O)O)O2 | None | |||
| 1888 | 10672 | 29 | 3H-SQ 29548 | 2 | 17 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | None | |||
| 1974 | 10672 | 29 | 3H-SQ 29548 | 2 | 17 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | None | |||
| 5311493 | 10672 | 29 | 3H-SQ 29548 | 2 | 17 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | None | |||
| CHEMBL521784 | 10672 | 29 | 3H-SQ 29548 | 2 | 17 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | None | |||
| None | 223004 | 0 | 3H-SQ 29548 | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 384 | 10 | 2 | 3 | 4.7 | CC(C1=CC=CC=C1)C(C=CC2C3CCC(C2CC=CCCCC(=O)O)O3)O | None | |||
| None | 223214 | 0 | 3H-15(S)9,11-epoxymethano PGH2 | - | 1 | Mouse | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 408 | 11 | 4 | 5 | 2.7 | C1C(C(C(C1O)C=CC(COC2=CC=C(C=C2)F)O)CC=CCCCC(=O)O)O | None | |||
| None | 222903 | 0 | 125I-BOP | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)OC2)O | None | |||
| None | 222903 | 0 | 3H-SQ 29548 | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)OC2)O | None | |||
| 1883 | 9856 | 75 | None | -380 | 24 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| 1916 | 9856 | 75 | None | -380 | 24 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| 5280360 | 9856 | 75 | None | -380 | 24 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| 913 | 9856 | 75 | None | -380 | 24 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| CHEMBL548 | 9856 | 75 | None | -380 | 24 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| DB00917 | 9856 | 75 | None | -380 | 24 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | None | |||
| 1980 | 10434 | 0 | 125I-BOP | -8 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | None | |||
| 1985 | 10434 | 0 | 125I-BOP | -8 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | None | |||
| 6437074 | 10434 | 0 | 125I-BOP | -8 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | None | |||
| None | 222904 | 0 | 125I-BOP | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 541 | 11 | 4 | 4 | 4.7 | CC1(C2CC1C(C(C2)NCC(CC3=CC(=C(C=C3)O)I)O)CC=CCCCC(=O)O)C | None | |||
| None | 222903 | 0 | 125I-BOP | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)OC2)O | None | |||
| None | 223219 | 0 | 3H-15(S)9,11-epoxymethano PGH2 | - | 1 | Mouse | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 383 | 9 | 3 | 3 | 4.7 | C1CC2CC1C(C2C=NNC(=O)NC3=CC=CC=C3)CC=CCCCC(=O)O | None | |||
| None | 223005 | 0 | 3H-SQ 29548 | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 422 | 15 | 3 | 4 | 3.2 | CCCCCCC(=O)NCC(=O)NCC1C2CCC(C1CC=CCCCC(=O)O)O2 | None | |||
| 1884 | 9857 | 52 | None | -61 | 22 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| 5280363 | 9857 | 52 | None | -61 | 22 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| 912 | 9857 | 52 | None | -61 | 22 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| CHEMBL815 | 9857 | 52 | None | -61 | 22 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| DB12789 | 9857 | 52 | None | -61 | 22 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | None | |||
| 138107701 | 194243 | 46 | None | -5 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O | None | |||
| 5311181 | 194243 | 46 | None | -5 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O | None | |||
| CHEMBL494 | 194243 | 46 | None | -5 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O | None | |||
| 1980 | 10434 | 0 | 3H-SQ 29548 | -8 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | None | |||
| 1985 | 10434 | 0 | 3H-SQ 29548 | -8 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | None | |||
| 6437074 | 10434 | 0 | 3H-SQ 29548 | -8 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | None | |||
| 1888 | 10672 | 29 | 125I-BOP | 2 | 17 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | None | |||
| 1974 | 10672 | 29 | 125I-BOP | 2 | 17 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | None | |||
| 5311493 | 10672 | 29 | 125I-BOP | 2 | 17 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | None | |||
| CHEMBL521784 | 10672 | 29 | 125I-BOP | 2 | 17 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | None | |||
| 1888 | 10672 | 29 | 125I-BOP | 2 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | None | |||
| 1974 | 10672 | 29 | 125I-BOP | 2 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | None | |||
| 5311493 | 10672 | 29 | 125I-BOP | 2 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | None | |||
| CHEMBL521784 | 10672 | 29 | 125I-BOP | 2 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | None | |||
| None | 222903 | 0 | 125I-BOP | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)OC2)O | None | |||
| None | 222903 | 0 | 3H-SQ 29548 | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)OC2)O | None | |||
| 1980 | 10434 | 0 | 3H-SQ 29548 | -8 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | None | |||
| 1985 | 10434 | 0 | 3H-SQ 29548 | -8 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | None | |||
| 6437074 | 10434 | 0 | 3H-SQ 29548 | -8 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | None | |||
| None | 222922 | 0 | 3H-SQ 29548 | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 477 | 11 | 2 | 4 | 5.7 | C1CCN(CC1)C2C(CC(C2CCC=CCCC(=O)O)OCC3=CC=C(C=C3)C4=CC=CC=C4)O | None | |||
| None | 223004 | 0 | 3H-SQ 29548 | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 384 | 10 | 2 | 3 | 4.7 | CC(C1=CC=CC=C1)C(C=CC2C3CCC(C2CC=CCCCC(=O)O)O3)O | None | |||
| 1888 | 10672 | 29 | 125I-BOP | 2 | 17 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | None | |||
| 1974 | 10672 | 29 | 125I-BOP | 2 | 17 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | None | |||
| 5311493 | 10672 | 29 | 125I-BOP | 2 | 17 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | None | |||
| CHEMBL521784 | 10672 | 29 | 125I-BOP | 2 | 17 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | None | |||
| None | 223215 | 0 | 3H-15(S)9,11-epoxymethano PGH2 | - | 1 | Mouse | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 382 | 12 | 4 | 4 | 3.7 | CCCCC(C)(C)C(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O | None | |||
| 3356 | 9060 | 73 | None | -38 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | None | |||
| 4326 | 9060 | 73 | None | -38 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | None | |||
| 9867642 | 9060 | 73 | None | -38 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | None | |||
| CHEMBL426559 | 9060 | 73 | None | -38 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | None | |||
| DB11629 | 9060 | 73 | None | -38 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | None | |||
| 1888 | 10672 | 29 | 125I-BOP | 2 | 17 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | None | |||
| 1974 | 10672 | 29 | 125I-BOP | 2 | 17 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | None | |||
| 5311493 | 10672 | 29 | 125I-BOP | 2 | 17 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | None | |||
| CHEMBL521784 | 10672 | 29 | 125I-BOP | 2 | 17 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | None | |||
| 134694160 | 8243 | 0 | None | -1 | 2 | Mouse | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | None | |||
| 1979 | 8243 | 0 | None | -1 | 2 | Mouse | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | None | |||
| 1984 | 8243 | 0 | None | -1 | 2 | Mouse | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | None | |||
| 3165 | 8243 | 0 | None | -1 | 2 | Mouse | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | None | |||
| 5312138 | 8243 | 0 | None | -1 | 2 | Mouse | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | None | |||
| CHEMBL3301671 | 8243 | 0 | None | -1 | 2 | Mouse | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | None | |||
| 123879 | 10060 | 82 | None | 3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | None | |||
| 1910 | 10060 | 82 | None | 3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | None | |||
| 1911 | 10060 | 82 | None | 3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | None | |||
| 2354 | 10060 | 82 | None | 3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | None | |||
| CHEMBL361812 | 10060 | 82 | None | 3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | None | |||
| DB13036 | 10060 | 82 | None | 3 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | None | |||
| 134694160 | 8243 | 0 | None | 1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | None | |||
| 1979 | 8243 | 0 | None | 1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | None | |||
| 1984 | 8243 | 0 | None | 1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | None | |||
| 3165 | 8243 | 0 | None | 1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | None | |||
| 5312138 | 8243 | 0 | None | 1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | None | |||
| CHEMBL3301671 | 8243 | 0 | None | 1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | None | |||
| 3356 | 9060 | 73 | None | -38 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 17882161 | |||
| 4326 | 9060 | 73 | None | -38 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 17882161 | |||
| 9867642 | 9060 | 73 | None | -38 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 17882161 | |||
| CHEMBL426559 | 9060 | 73 | None | -38 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 17882161 | |||
| DB11629 | 9060 | 73 | None | -38 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 435 | 5 | 1 | 4 | 4.4 | OC(=O)C[C@H]1CCc2c1n(Cc1ccc(cc1)Cl)c1c2cc(cc1S(=O)(=O)C)F | 17882161 | |||
| 1888 | 10672 | 29 | None | 2 | 17 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 10634944 | |||
| 1974 | 10672 | 29 | None | 2 | 17 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 10634944 | |||
| 5311493 | 10672 | 29 | None | 2 | 17 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 10634944 | |||
| CHEMBL521784 | 10672 | 29 | None | 2 | 17 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 10634944 | |||
| 123879 | 10060 | 82 | None | 3 | 4 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 1387312 | |||
| 1910 | 10060 | 82 | None | 3 | 4 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 1387312 | |||
| 1911 | 10060 | 82 | None | 3 | 4 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 1387312 | |||
| 2354 | 10060 | 82 | None | 3 | 4 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 1387312 | |||
| CHEMBL361812 | 10060 | 82 | None | 3 | 4 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 1387312 | |||
| DB13036 | 10060 | 82 | None | 3 | 4 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 416 | 6 | 2 | 4 | 3.1 | OC(=O)CCn1c2CC[C@H](Cc2c2c1cccc2)NS(=O)(=O)c1ccc(cc1)F | 1387312 | |||
| 1978 | 9707 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 391 | 9 | 3 | 3 | 3.9 | OC(=O)CCC/C=C\C[C@@H]1[C@@H](NC(=O)[C@@H](C2CCCC2)O)C[C@H]2C[C@@H]1C2(C)C | 3008368 | |||
| 5311334 | 9707 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 391 | 9 | 3 | 3 | 3.9 | OC(=O)CCC/C=C\C[C@@H]1[C@@H](NC(=O)[C@@H](C2CCCC2)O)C[C@H]2C[C@@H]1C2(C)C | 3008368 | |||
| CHEMBL266243 | 9707 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 391 | 9 | 3 | 3 | 3.9 | OC(=O)CCC/C=C\C[C@@H]1[C@@H](NC(=O)[C@@H](C2CCCC2)O)C[C@H]2C[C@@H]1C2(C)C | 3008368 | |||
| 1987 | 8770 | 19 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 440 | 11 | 2 | 5 | 4.1 | CCCCCNC(=O)c1coc(n1)[C@@H]1[C@H]2CC[C@@H]([C@@H]1Cc1ccccc1CCC(=O)O)O2 | 8437108 | |||
| 3037233 | 8770 | 19 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 440 | 11 | 2 | 5 | 4.1 | CCCCCNC(=O)c1coc(n1)[C@@H]1[C@H]2CC[C@@H]([C@@H]1Cc1ccccc1CCC(=O)O)O2 | 8437108 | |||
| CHEMBL3301673 | 8770 | 19 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 440 | 11 | 2 | 5 | 4.1 | CCCCCNC(=O)c1coc(n1)[C@@H]1[C@H]2CC[C@@H]([C@@H]1Cc1ccccc1CCC(=O)O)O2 | 8437108 | |||
| DB12321 | 8770 | 19 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 440 | 11 | 2 | 5 | 4.1 | CCCCCNC(=O)c1coc(n1)[C@@H]1[C@H]2CC[C@@H]([C@@H]1Cc1ccccc1CCC(=O)O)O2 | 8437108 | |||
| 1980 | 10434 | 0 | None | -8 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | 10634944 | |||
| 1980 | 10434 | 0 | None | -8 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | 16604093 | |||
| 1980 | 10434 | 0 | None | -8 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | 2975605 | |||
| 1985 | 10434 | 0 | None | -8 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | 10634944 | |||
| 1985 | 10434 | 0 | None | -8 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | 16604093 | |||
| 1985 | 10434 | 0 | None | -8 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | 2975605 | |||
| 6437074 | 10434 | 0 | None | -8 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | 10634944 | |||
| 6437074 | 10434 | 0 | None | -8 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | 16604093 | |||
| 6437074 | 10434 | 0 | None | -8 | 9 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | 2975605 | |||
| 1976 | 10745 | 18 | None | 8 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 477 | 11 | 2 | 4 | 5.7 | OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)C[C@@H]([C@@H]1N1CCCCC1)O | 2527074 | |||
| 1976 | 10745 | 18 | None | 8 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 477 | 11 | 2 | 4 | 5.7 | OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)C[C@@H]([C@@H]1N1CCCCC1)O | 8242228 | |||
| 6918030 | 10745 | 18 | None | 8 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 477 | 11 | 2 | 4 | 5.7 | OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)C[C@@H]([C@@H]1N1CCCCC1)O | 2527074 | |||
| 6918030 | 10745 | 18 | None | 8 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 477 | 11 | 2 | 4 | 5.7 | OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)C[C@@H]([C@@H]1N1CCCCC1)O | 8242228 | |||
| CHEMBL65030 | 10745 | 18 | None | 8 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 477 | 11 | 2 | 4 | 5.7 | OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)C[C@@H]([C@@H]1N1CCCCC1)O | 2527074 | |||
| CHEMBL65030 | 10745 | 18 | None | 8 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 477 | 11 | 2 | 4 | 5.7 | OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)C[C@@H]([C@@H]1N1CCCCC1)O | 8242228 | |||
| 1940 | 8444 | 41 | None | -20892 | 10 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | 10634944 | |||
| 3417 | 8444 | 41 | None | -20892 | 10 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | 10634944 | |||
| 5311100 | 8444 | 41 | None | -20892 | 10 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | 10634944 | |||
| CHEMBL1201379 | 8444 | 41 | None | -20892 | 10 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | 10634944 | |||
| DB11519 | 8444 | 41 | None | -20892 | 10 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 458 | 11 | 4 | 5 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O | 10634944 | |||
| 1883 | 9856 | 75 | None | -380 | 24 | Human | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
| 1916 | 9856 | 75 | None | -380 | 24 | Human | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
| 5280360 | 9856 | 75 | None | -380 | 24 | Human | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
| 913 | 9856 | 75 | None | -380 | 24 | Human | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
| CHEMBL548 | 9856 | 75 | None | -380 | 24 | Human | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
| DB00917 | 9856 | 75 | None | -380 | 24 | Human | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O | 10634944 | |||
| 1892 | 7534 | 20 | None | -316 | 9 | Human | 4.7 | pKi | None | 4.7 | Binding | Guide to Pharmacology | 394 | 13 | 3 | 4 | 4.3 | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10634944 | |||
| 25886893 | 7534 | 20 | None | -316 | 9 | Human | 4.7 | pKi | None | 4.7 | Binding | Guide to Pharmacology | 394 | 13 | 3 | 4 | 4.3 | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10634944 | |||
| CHEMBL1628262 | 7534 | 20 | None | -316 | 9 | Human | 4.7 | pKi | None | 4.7 | Binding | Guide to Pharmacology | 394 | 13 | 3 | 4 | 4.3 | CCCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O)O | 10634944 | |||
| 1893 | 7582 | 0 | None | -1412 | 13 | Human | 4.7 | pKi | None | 4.7 | Binding | Guide to Pharmacology | 350 | 10 | 3 | 3 | 4.1 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C\CCCC(=O)O)/C2)O | 10634944 | |||
| 5311242 | 7582 | 0 | None | -1412 | 13 | Human | 4.7 | pKi | None | 4.7 | Binding | Guide to Pharmacology | 350 | 10 | 3 | 3 | 4.1 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C\CCCC(=O)O)/C2)O | 10634944 | |||
| CHEMBL148319 | 7582 | 0 | None | -1412 | 13 | Human | 4.7 | pKi | None | 4.7 | Binding | Guide to Pharmacology | 350 | 10 | 3 | 3 | 4.1 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C\CCCC(=O)O)/C2)O | 10634944 | |||
| 1884 | 9857 | 52 | None | -61 | 22 | Human | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10634944 | |||
| 5280363 | 9857 | 52 | None | -61 | 22 | Human | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10634944 | |||
| 912 | 9857 | 52 | None | -61 | 22 | Human | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10634944 | |||
| CHEMBL815 | 9857 | 52 | None | -61 | 22 | Human | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10634944 | |||
| DB12789 | 9857 | 52 | None | -61 | 22 | Human | 5.1 | pKi | None | 5.1 | Binding | Guide to Pharmacology | 354 | 12 | 4 | 4 | 3.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O | 10634944 | |||
| 1894 | 7744 | 41 | None | -1621 | 5 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 424 | 11 | 4 | 5 | 3.2 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)Cl)O)O | 10634944 | |||
| 5311053 | 7744 | 41 | None | -1621 | 5 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 424 | 11 | 4 | 5 | 3.2 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)Cl)O)O | 10634944 | |||
| CHEMBL37853 | 7744 | 41 | None | -1621 | 5 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 424 | 11 | 4 | 5 | 3.2 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)Cl)O)O | 10634944 | |||
| DB11507 | 7744 | 41 | None | -1621 | 5 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 424 | 11 | 4 | 5 | 3.2 | OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)Cl)O)O | 10634944 | |||
| 1895 | 8788 | 0 | None | -630 | 16 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 10634944 | |||
| 6435378 | 8788 | 0 | None | -630 | 16 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 10634944 | |||
| CHEMBL236025 | 8788 | 0 | None | -630 | 16 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 10634944 | |||
| DB01088 | 8788 | 0 | None | -630 | 16 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 360 | 8 | 3 | 3 | 3.5 | CC#CCC([C@@H](/C=C/C1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)C | 10634944 | |||
| 1949 | 7106 | 0 | None | 12 | 3 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 477 | 11 | 1 | 5 | 4.7 | OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)CC(=O)[C@@H]1N1CCOCC1 | 10634944 | |||
| 5310999 | 7106 | 0 | None | 12 | 3 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | 477 | 11 | 1 | 5 | 4.7 | OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)CC(=O)[C@@H]1N1CCOCC1 | 10634944 | |||
| 1970 | 7585 | 0 | None | - | 1 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 348 | 12 | 2 | 2 | 5.3 | CCCCC[C@@H](/C=C/[C@H]1CC2CC([C@@H]1C/C=C\CCCC(=O)O)C2)O | 1434130 | |||
| 5311387 | 7585 | 0 | None | - | 1 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 348 | 12 | 2 | 2 | 5.3 | CCCCC[C@@H](/C=C/[C@H]1CC2CC([C@@H]1C/C=C\CCCC(=O)O)C2)O | 1434130 | |||
| 1913 | 9242 | 0 | None | -2238 | 15 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 374 | 12 | 2 | 4 | 4.0 | OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@H](COc2ccccc2)O)CCC1=O | 10634944 | |||
| 5311223 | 9242 | 0 | None | -2238 | 15 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 374 | 12 | 2 | 4 | 4.0 | OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@H](COc2ccccc2)O)CCC1=O | 10634944 | |||
| 1920 | 9711 | 0 | None | -125 | 4 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 439 | 9 | 2 | 3 | 4.8 | OC(=O)CCC/C=C\[C@H]1C2CCC([C@@H]1CNS(=O)(=O)c1ccc(cc1C)Cl)CC2 | 10537280 | |||
| 9824507 | 9711 | 0 | None | -125 | 4 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 439 | 9 | 2 | 3 | 4.8 | OC(=O)CCC/C=C\[C@H]1C2CCC([C@@H]1CNS(=O)(=O)c1ccc(cc1C)Cl)CC2 | 10537280 | |||
| CHEMBL1628612 | 9711 | 0 | None | -125 | 4 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | 439 | 9 | 2 | 3 | 4.8 | OC(=O)CCC/C=C\[C@H]1C2CCC([C@@H]1CNS(=O)(=O)c1ccc(cc1C)Cl)CC2 | 10537280 | |||
| 1888 | 10672 | 29 | None | -2 | 17 | Mouse | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 9313928 | |||
| 1974 | 10672 | 29 | None | -2 | 17 | Mouse | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 9313928 | |||
| 5311493 | 10672 | 29 | None | -2 | 17 | Mouse | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 9313928 | |||
| CHEMBL521784 | 10672 | 29 | None | -2 | 17 | Mouse | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 350 | 12 | 2 | 3 | 4.3 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OC[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 9313928 | |||
| 1898 | 10223 | 0 | None | -15 | 2 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 441 | 8 | 3 | 4 | 5.6 | OC(=O)CCC/C=C\C[C@@H]1C[C@H]2C[C@@H]([C@@H]1NC(=O)c1csc3c1cc(O)cc3)C2(C)C | 11454901 | |||
| 5311213 | 10223 | 0 | None | -15 | 2 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 441 | 8 | 3 | 4 | 5.6 | OC(=O)CCC/C=C\C[C@@H]1C[C@H]2C[C@@H]([C@@H]1NC(=O)c1csc3c1cc(O)cc3)C2(C)C | 11454901 | |||
| 1986 | 8094 | 50 | None | - | 1 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 353 | 7 | 2 | 3 | 2.5 | OC(=O)Cc1ccc(cc1)CCNS(=O)(=O)c1ccc(cc1)Cl | 1434130 | |||
| 54343 | 8094 | 50 | None | - | 1 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 353 | 7 | 2 | 3 | 2.5 | OC(=O)Cc1ccc(cc1)CCNS(=O)(=O)c1ccc(cc1)Cl | 1434130 | |||
| CHEMBL71685 | 8094 | 50 | None | - | 1 | Human | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 353 | 7 | 2 | 3 | 2.5 | OC(=O)Cc1ccc(cc1)CCNS(=O)(=O)c1ccc(cc1)Cl | 1434130 | |||
| 1980 | 10434 | 0 | None | -12 | 9 | Mouse | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | 9313928 | |||
| 1985 | 10434 | 0 | None | -12 | 9 | Mouse | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | 9313928 | |||
| 6437074 | 10434 | 0 | None | -12 | 9 | Mouse | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 387 | 10 | 4 | 4 | 3.3 | O=C(Nc1ccccc1)NNC[C@@H]1[C@@H]2CC[C@H]([C@@H]1C/C=C\CCCC(=O)O)O2 | 9313928 | |||
| 1939 | 10460 | 0 | None | 1 | 2 | Mouse | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 366 | 12 | 2 | 3 | 5.2 | CCCCC[C@H](/C=C/[C@H]1C[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)S2)O | 9313928 | |||
| 5311453 | 10460 | 0 | None | 1 | 2 | Mouse | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 366 | 12 | 2 | 3 | 5.2 | CCCCC[C@H](/C=C/[C@H]1C[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)S2)O | 9313928 | |||
| 1976 | 10745 | 18 | None | -8 | 2 | Mouse | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 477 | 11 | 2 | 4 | 5.7 | OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)C[C@@H]([C@@H]1N1CCCCC1)O | 9313928 | |||
| 6918030 | 10745 | 18 | None | -8 | 2 | Mouse | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 477 | 11 | 2 | 4 | 5.7 | OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)C[C@@H]([C@@H]1N1CCCCC1)O | 9313928 | |||
| CHEMBL65030 | 10745 | 18 | None | -8 | 2 | Mouse | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 477 | 11 | 2 | 4 | 5.7 | OC(=O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(cc2)c2ccccc2)C[C@@H]([C@@H]1N1CCCCC1)O | 9313928 | |||
| 1972 | 9858 | 0 | None | - | 1 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 352 | 12 | 2 | 4 | 4.0 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OO[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 1434130 | |||
| 445049 | 9858 | 0 | None | - | 1 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 352 | 12 | 2 | 4 | 4.0 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OO[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 1434130 | |||
| 4483 | 9858 | 0 | None | - | 1 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 352 | 12 | 2 | 4 | 4.0 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OO[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 1434130 | |||
| CHEMBL2074582 | 9858 | 0 | None | - | 1 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 352 | 12 | 2 | 4 | 4.0 | CCCCC[C@@H](/C=C/[C@H]1[C@@H]2OO[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2)O | 1434130 | |||
| 1971 | 8350 | 0 | None | - | 1 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 404 | 11 | 2 | 4 | 4.1 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1/C=C/[C@@H](COc1ccc(cc1)F)O)O2 | 2743082 | |||
| 5311384 | 8350 | 0 | None | - | 1 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 404 | 11 | 2 | 4 | 4.1 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1/C=C/[C@@H](COc1ccc(cc1)F)O)O2 | 2743082 | |||
| 19088577 | 8984 | 0 | None | - | 1 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 409 | 3 | 0 | 5 | 4.0 | [O-]C(=O)c1ccc2c(c1)/C(=C/Cn1cnc3c1cc(C)c(c3)C)/c1ccccc1CO2 | 1434130 | |||
| 1977 | 8984 | 0 | None | - | 1 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 409 | 3 | 0 | 5 | 4.0 | [O-]C(=O)c1ccc2c(c1)/C(=C/Cn1cnc3c1cc(C)c(c3)C)/c1ccccc1CO2 | 1434130 | |||
| 134694160 | 8243 | 0 | None | -1 | 2 | Mouse | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | 9313928 | |||
| 1979 | 8243 | 0 | None | -1 | 2 | Mouse | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | 9313928 | |||
| 1984 | 8243 | 0 | None | -1 | 2 | Mouse | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | 9313928 | |||
| 3165 | 8243 | 0 | None | -1 | 2 | Mouse | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | 9313928 | |||
| 5312138 | 8243 | 0 | None | -1 | 2 | Mouse | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | 9313928 | |||
| CHEMBL3301671 | 8243 | 0 | None | -1 | 2 | Mouse | 9.2 | pKi | None | 9.2 | Binding | Guide to Pharmacology | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | 9313928 | |||
| 1938 | 8750 | 18 | None | 1 | 4 | Mouse | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 512 | 11 | 2 | 4 | 4.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1/C=C/[C@H](COc1ccc(cc1)I)O)O2 | 9313928 | |||
| 5311175 | 8750 | 18 | None | 1 | 4 | Mouse | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 512 | 11 | 2 | 4 | 4.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1/C=C/[C@H](COc1ccc(cc1)I)O)O2 | 9313928 | |||
| CHEMBL2113346 | 8750 | 18 | None | 1 | 4 | Mouse | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 512 | 11 | 2 | 4 | 4.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1/C=C/[C@H](COc1ccc(cc1)I)O)O2 | 9313928 | |||
| 134694160 | 8243 | 0 | None | 1 | 2 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | 1833018 | |||
| 1979 | 8243 | 0 | None | 1 | 2 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | 1833018 | |||
| 1984 | 8243 | 0 | None | 1 | 2 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | 1833018 | |||
| 3165 | 8243 | 0 | None | 1 | 2 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | 1833018 | |||
| 5312138 | 8243 | 0 | None | 1 | 2 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | 1833018 | |||
| CHEMBL3301671 | 8243 | 0 | None | 1 | 2 | Human | 9.6 | pKi | None | 9.6 | Binding | Guide to Pharmacology | 377 | 9 | 2 | 3 | 3.6 | OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2 | 1833018 | |||