Ligand source activities (1 row/activity)
Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
138107701 | 194243 | 46 | None | -4 | 7 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 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 | 10.1016/j.ejmech.2022.114154 | ||
5311181 | 194243 | 46 | None | -4 | 7 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 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 | 10.1016/j.ejmech.2022.114154 | ||
CHEMBL494 | 194243 | 46 | None | -4 | 7 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 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 | 10.1016/j.ejmech.2022.114154 | ||
DB01088 | 194243 | 46 | None | -4 | 7 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 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 | 10.1016/j.ejmech.2022.114154 | ||
138107701 | 194243 | 46 | None | -1 | 7 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 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 | 10.1021/acs.jmedchem.6b00871 | ||
5311181 | 194243 | 46 | None | -1 | 7 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 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 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL494 | 194243 | 46 | None | -1 | 7 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 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 | 10.1021/acs.jmedchem.6b00871 | ||
DB01088 | 194243 | 46 | None | -1 | 7 | Rat | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 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 | 10.1021/acs.jmedchem.6b00871 | ||
138 | 9855 | 88 | None | -16 | 10 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 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 | 10.1016/s0960-894x(01)00359-6 | ||
149351 | 9855 | 88 | None | -16 | 10 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 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 | 10.1016/s0960-894x(01)00359-6 | ||
1882 | 9855 | 88 | None | -16 | 10 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 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 | 10.1016/s0960-894x(01)00359-6 | ||
5280723 | 9855 | 88 | None | -16 | 10 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 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 | 10.1016/s0960-894x(01)00359-6 | ||
CHEMBL495 | 9855 | 88 | None | -16 | 10 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 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 | 10.1016/s0960-894x(01)00359-6 | ||
DB00770 | 9855 | 88 | None | -16 | 10 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 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 | 10.1016/s0960-894x(01)00359-6 | ||
2720 | 10626 | 59 | None | -5 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 10.1016/j.ejmech.2022.114154 | ||
5820 | 10626 | 59 | None | -5 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 10.1016/j.ejmech.2022.114154 | ||
6918140 | 10626 | 59 | None | -5 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 10.1016/j.ejmech.2022.114154 | ||
CHEMBL1237119 | 10626 | 59 | None | -5 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 10.1016/j.ejmech.2022.114154 | ||
DB00374 | 10626 | 59 | None | -5 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 10.1016/j.ejmech.2022.114154 | ||
118727298 | 124191 | 0 | None | -3 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1ccc(-c2nn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)cc2-c2ccccc2)cc1F | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398219 | 124191 | 0 | None | -3 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1ccc(-c2nn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)cc2-c2ccccc2)cc1F | 10.1016/j.bmcl.2015.01.024 | ||
118727308 | 124201 | 0 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1cccc(-c2cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)c2-c2ccccc2)c1F | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398229 | 124201 | 0 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1cccc(-c2cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)c2-c2ccccc2)c1F | 10.1016/j.bmcl.2015.01.024 | ||
44235755 | 160487 | 0 | None | 81 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3981509 | 160487 | 0 | None | 81 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
118727301 | 124194 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 466 | 7 | 1 | 5 | 4.8 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398222 | 124194 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 466 | 7 | 1 | 5 | 4.8 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
56839344 | 158830 | 0 | None | -3311 | 8 | Human | 6.0 | pEC50 | = | 6 | 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 | -3311 | 8 | Human | 6.0 | pEC50 | = | 6 | 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 | ||
137636847 | 162771 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 554 | 11 | 3 | 7 | 4.1 | O=C(COC[C@H]1CC[C@H](COC(=O)N(c2ccc(O)cc2)c2ccc(Cl)cc2)CC1)NCCS(=O)(=O)O | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL4061744 | 162771 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 554 | 11 | 3 | 7 | 4.1 | O=C(COC[C@H]1CC[C@H](COC(=O)N(c2ccc(O)cc2)c2ccc(Cl)cc2)CC1)NCCS(=O)(=O)O | 10.1021/acs.jmedchem.6b00871 | ||
118727293 | 124186 | 0 | None | 2 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1nc(-c3cccc(F)c3)c(-c3ccccc3)cc1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398214 | 124186 | 0 | None | 2 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1nc(-c3cccc(F)c3)c(-c3ccccc3)cc1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
118727305 | 124198 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 496 | 8 | 1 | 6 | 4.9 | COc1ccc(-c2cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)c2-c2ccccc2)cc1 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398226 | 124198 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 496 | 8 | 1 | 6 | 4.9 | COc1ccc(-c2cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)c2-c2ccccc2)cc1 | 10.1016/j.bmcl.2015.01.024 | ||
127052613 | 146984 | 0 | None | -13 | 6 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 431 | 7 | 3 | 7 | 3.1 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3/C=C/[C@@H](O)COc3ccccc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
CHEMBL3804978 | 146984 | 0 | None | -13 | 6 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 431 | 7 | 3 | 7 | 3.1 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3/C=C/[C@@H](O)COc3ccccc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
118727312 | 124205 | 0 | None | 3 | 2 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 496 | 8 | 1 | 6 | 4.9 | COc1ccc(-c2c(-c3ccccc3)cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c2=O)cc1 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398233 | 124205 | 0 | None | 3 | 2 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 496 | 8 | 1 | 6 | 4.9 | COc1ccc(-c2c(-c3ccccc3)cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c2=O)cc1 | 10.1016/j.bmcl.2015.01.024 | ||
118727307 | 124200 | 0 | None | -1 | 3 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 502 | 7 | 1 | 5 | 5.1 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(F)c3F)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398228 | 124200 | 0 | None | -1 | 3 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 502 | 7 | 1 | 5 | 5.1 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(F)c3F)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
118727297 | 124190 | 0 | None | -5 | 3 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1ccc(-c2nn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)cc2-c2ccccc2)c(F)c1 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398218 | 124190 | 0 | None | -5 | 3 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1ccc(-c2nn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)cc2-c2ccccc2)c(F)c1 | 10.1016/j.bmcl.2015.01.024 | ||
118727296 | 124189 | 0 | None | 13 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1nc(-c3ccc(F)cc3)c(-c3ccccc3)cc1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398217 | 124189 | 0 | None | 13 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1nc(-c3ccc(F)cc3)c(-c3ccccc3)cc1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
44234782 | 154050 | 0 | None | 51 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 427 | 9 | 1 | 5 | 4.9 | COc1cccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3928729 | 154050 | 0 | None | 51 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 427 | 9 | 1 | 5 | 4.9 | COc1cccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1 | 10.1021/acs.jmedchem.6b00871 | ||
118727294 | 124187 | 0 | None | -7 | 3 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 496 | 8 | 1 | 6 | 4.9 | COc1ccc(-c2nn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)cc2-c2ccccc2)cc1 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398215 | 124187 | 0 | None | -7 | 3 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 496 | 8 | 1 | 6 | 4.9 | COc1ccc(-c2nn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)cc2-c2ccccc2)cc1 | 10.1016/j.bmcl.2015.01.024 | ||
118727306 | 124199 | 0 | None | -5 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3F)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398227 | 124199 | 0 | None | -5 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3F)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
118727295 | 124188 | 0 | None | -5 | 2 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 480 | 7 | 1 | 5 | 5.2 | Cc1ccc(-c2nn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)cc2-c2ccccc2)cc1 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398216 | 124188 | 0 | None | -5 | 2 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 480 | 7 | 1 | 5 | 5.2 | Cc1ccc(-c2nn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)cc2-c2ccccc2)cc1 | 10.1016/j.bmcl.2015.01.024 | ||
44235522 | 149298 | 0 | None | -53 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(Cl)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3890685 | 149298 | 0 | None | -53 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(Cl)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
118727302 | 124195 | 0 | None | -2 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 496 | 8 | 1 | 6 | 4.9 | COc1cccc(-c2cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)c2-c2ccccc2)c1 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398223 | 124195 | 0 | None | -2 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 496 | 8 | 1 | 6 | 4.9 | COc1cccc(-c2cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)c2-c2ccccc2)c1 | 10.1016/j.bmcl.2015.01.024 | ||
118727309 | 124202 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3)c(-c3ccccc3F)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398230 | 124202 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3)c(-c3ccccc3F)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
118727296 | 124189 | 0 | None | -13 | 2 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1nc(-c3ccc(F)cc3)c(-c3ccccc3)cc1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398217 | 124189 | 0 | None | -13 | 2 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1nc(-c3ccc(F)cc3)c(-c3ccccc3)cc1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
44236221 | 154497 | 0 | None | -151 | 3 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 445 | 9 | 1 | 5 | 5.0 | COc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)cc1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3932106 | 154497 | 0 | None | -151 | 3 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 445 | 9 | 1 | 5 | 5.0 | COc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)cc1 | 10.1021/acs.jmedchem.6b00871 | ||
44235044 | 154363 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 427 | 9 | 1 | 5 | 4.9 | COc1ccc(N(C(=O)OC[C@H]2CC[C@@H](COCC(=O)O)CC2)c2ccccc2)cc1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3930990 | 154363 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 427 | 9 | 1 | 5 | 4.9 | COc1ccc(N(C(=O)OC[C@H]2CC[C@@H](COCC(=O)O)CC2)c2ccccc2)cc1 | 10.1021/acs.jmedchem.6b00871 | ||
44232565 | 160751 | 0 | None | -190 | 3 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3983767 | 160751 | 0 | None | -190 | 3 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
44235044 | 149641 | 0 | None | -28 | 3 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 427 | 9 | 1 | 5 | 4.9 | COc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3893346 | 149641 | 0 | None | -28 | 3 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 427 | 9 | 1 | 5 | 4.9 | COc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 | 10.1021/acs.jmedchem.6b00871 | ||
118727311 | 124204 | 0 | None | -2 | 2 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3)c(-c3ccc(F)cc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398232 | 124204 | 0 | None | -2 | 2 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3)c(-c3ccc(F)cc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
126495507 | 146157 | 0 | None | -154 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 425 | 5 | 1 | 5 | 5.1 | Cc1cc(OC[C@H]2[C@@H](F)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
CHEMBL3793167 | 146157 | 0 | None | -154 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 425 | 5 | 1 | 5 | 5.1 | Cc1cc(OC[C@H]2[C@@H](F)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
118727292 | 124185 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 496 | 8 | 1 | 6 | 4.9 | COc1cccc(-c2nn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)cc2-c2ccccc2)c1 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398213 | 124185 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 496 | 8 | 1 | 6 | 4.9 | COc1cccc(-c2nn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)cc2-c2ccccc2)c1 | 10.1016/j.bmcl.2015.01.024 | ||
118727313 | 124206 | 0 | None | -2 | 2 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1ccc(-c2c(-c3ccccc3)cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c2=O)cc1F | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398234 | 124206 | 0 | None | -2 | 2 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1ccc(-c2c(-c3ccccc3)cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c2=O)cc1F | 10.1016/j.bmcl.2015.01.024 | ||
44235519 | 154984 | 0 | None | -23 | 3 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 411 | 8 | 1 | 4 | 5.2 | Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3935924 | 154984 | 0 | None | -23 | 3 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 411 | 8 | 1 | 4 | 5.2 | Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 | 10.1021/acs.jmedchem.6b00871 | ||
44232564 | 152207 | 0 | None | 162 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(Cl)cc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3914174 | 152207 | 0 | None | 162 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(Cl)cc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
118727288 | 124181 | 0 | None | -7 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 480 | 7 | 1 | 5 | 5.2 | Cc1cccc(-c2cc(=O)n(CC3CCc4c(cccc4OCC(=O)O)C3)nc2-c2ccccc2)c1 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398209 | 124181 | 0 | None | -7 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 480 | 7 | 1 | 5 | 5.2 | Cc1cccc(-c2cc(=O)n(CC3CCc4c(cccc4OCC(=O)O)C3)nc2-c2ccccc2)c1 | 10.1016/j.bmcl.2015.01.024 | ||
44235291 | 158710 | 0 | None | 19 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3966307 | 158710 | 0 | None | 19 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
44233041 | 152053 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 435 | 8 | 1 | 5 | 5.4 | Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)s1 | nan | ||
CHEMBL3912947 | 152053 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 435 | 8 | 1 | 5 | 5.4 | Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)s1 | nan | ||
138107701 | 194243 | 46 | None | -4 | 7 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 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 | 10.1021/acs.jmedchem.6b00871 | ||
5311181 | 194243 | 46 | None | -4 | 7 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 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 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL494 | 194243 | 46 | None | -4 | 7 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 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 | 10.1021/acs.jmedchem.6b00871 | ||
DB01088 | 194243 | 46 | None | -4 | 7 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 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 | 10.1021/acs.jmedchem.6b00871 | ||
44219292 | 119359 | 38 | None | 54 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | nan | ||
CHEMBL3301604 | 119359 | 38 | None | 54 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | nan | ||
CHEMBL3919269 | 119359 | 38 | None | 54 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | nan | ||
DB12462 | 119359 | 38 | None | 54 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | nan | ||
44235522 | 149298 | 0 | None | 53 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(Cl)c2)CC1 | nan | ||
CHEMBL3890685 | 149298 | 0 | None | 53 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(Cl)c2)CC1 | nan | ||
44234781 | 149314 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 410 | 8 | 2 | 3 | 4.8 | Cc1ccc(N(C(=O)NC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 | nan | ||
CHEMBL3890828 | 149314 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 410 | 8 | 2 | 3 | 4.8 | Cc1ccc(N(C(=O)NC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 | nan | ||
44233522 | 149606 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 416 | 8 | 1 | 5 | 4.4 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)nc2)CC1 | nan | ||
CHEMBL3893059 | 149606 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 416 | 8 | 1 | 5 | 4.4 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)nc2)CC1 | nan | ||
44235044 | 149641 | 0 | None | 28 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 427 | 9 | 1 | 5 | 4.9 | COc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 | nan | ||
CHEMBL3893346 | 149641 | 0 | None | 28 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 427 | 9 | 1 | 5 | 4.9 | COc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 | nan | ||
44234027 | 149707 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 418 | 8 | 1 | 6 | 4.6 | Cc1cnc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)s1 | nan | ||
CHEMBL3893909 | 149707 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 418 | 8 | 1 | 6 | 4.6 | Cc1cnc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)s1 | nan | ||
44235289 | 149837 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 411 | 8 | 1 | 4 | 5.2 | Cc1cccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1 | nan | ||
CHEMBL3895137 | 149837 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 411 | 8 | 1 | 4 | 5.2 | Cc1cccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1 | nan | ||
44232806 | 149950 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 451 | 8 | 1 | 4 | 5.3 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2ccc(F)c(F)c2)CC1 | nan | ||
CHEMBL3896069 | 149950 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 451 | 8 | 1 | 4 | 5.3 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2ccc(F)c(F)c2)CC1 | nan | ||
58172125 | 150022 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 447 | 8 | 2 | 5 | 5.2 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(O)cc2)c2ccc(Cl)cc2)CC1 | nan | ||
CHEMBL3896580 | 150022 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 447 | 8 | 2 | 5 | 5.2 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(O)cc2)c2ccc(Cl)cc2)CC1 | nan | ||
44234528 | 150349 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.4 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2ccccc2)CC1 | nan | ||
CHEMBL3899229 | 150349 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.4 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2ccccc2)CC1 | nan | ||
44234532 | 150447 | 0 | None | 23 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 397 | 8 | 1 | 4 | 4.9 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1 | nan | ||
CHEMBL3900038 | 150447 | 0 | None | 23 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 397 | 8 | 1 | 4 | 4.9 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1 | nan | ||
44233772 | 150452 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 425 | 9 | 1 | 4 | 4.8 | CN(C(=O)OC[C@H]1CC[C@H](COCC(=O)O)CC1)C(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL3900091 | 150452 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 425 | 9 | 1 | 4 | 4.8 | CN(C(=O)OC[C@H]1CC[C@H](COCC(=O)O)CC1)C(c1ccccc1)c1ccccc1 | nan | ||
44234533 | 150774 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.6 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2ccc(F)cc2)CC1 | nan | ||
CHEMBL3902808 | 150774 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.6 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2ccc(F)cc2)CC1 | nan | ||
44233523 | 150788 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 399 | 8 | 1 | 6 | 3.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cnccn2)CC1 | nan | ||
CHEMBL3902855 | 150788 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 399 | 8 | 1 | 6 | 3.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cnccn2)CC1 | nan | ||
44235040 | 151372 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 426 | 9 | 2 | 4 | 4.5 | COc1cccc(N(C(=O)NC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1 | nan | ||
CHEMBL3907754 | 151372 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 426 | 9 | 2 | 4 | 4.5 | COc1cccc(N(C(=O)NC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1 | nan | ||
44235291 | 151923 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(Cl)c2)CC1 | nan | ||
CHEMBL3912086 | 151923 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(Cl)c2)CC1 | nan | ||
44232564 | 152207 | 0 | None | 162 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(Cl)cc2)c2cccc(F)c2)CC1 | nan | ||
CHEMBL3914174 | 152207 | 0 | None | 162 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(Cl)cc2)c2cccc(F)c2)CC1 | nan | ||
44236219 | 152219 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 444 | 9 | 2 | 4 | 4.6 | COc1cccc(N(C(=O)NC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1F | nan | ||
CHEMBL3914231 | 152219 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 444 | 9 | 2 | 4 | 4.6 | COc1cccc(N(C(=O)NC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1F | nan | ||
44234780 | 152249 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 430 | 8 | 2 | 3 | 5.1 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | nan | ||
CHEMBL3914443 | 152249 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 430 | 8 | 2 | 3 | 5.1 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | nan | ||
44233776 | 152253 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 428 | 9 | 1 | 6 | 4.3 | COc1cncc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1 | nan | ||
CHEMBL3914495 | 152253 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 428 | 9 | 1 | 6 | 4.3 | COc1cncc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1 | nan | ||
44233282 | 152362 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2cccc(Cl)c2)CC1 | nan | ||
CHEMBL3915367 | 152362 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2cccc(Cl)c2)CC1 | nan | ||
44236220 | 152584 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 432 | 8 | 2 | 3 | 4.7 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2ccc(F)c(F)c2)CC1 | nan | ||
CHEMBL3917017 | 152584 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 432 | 8 | 2 | 3 | 4.7 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2ccc(F)c(F)c2)CC1 | nan | ||
58172129 | 152620 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 410 | 8 | 2 | 3 | 4.8 | Cc1cccc(N(C(=O)NC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1 | nan | ||
CHEMBL3917222 | 152620 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 410 | 8 | 2 | 3 | 4.8 | Cc1cccc(N(C(=O)NC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1 | nan | ||
44233775 | 152624 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 416 | 8 | 1 | 5 | 4.4 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccnc(F)c2)CC1 | nan | ||
CHEMBL3917276 | 152624 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 416 | 8 | 1 | 5 | 4.4 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccnc(F)c2)CC1 | nan | ||
44234028 | 152650 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 538 | 11 | 2 | 6 | 4.4 | O=C(COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1)NCCS(=O)(=O)O | nan | ||
CHEMBL3917503 | 152650 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 538 | 11 | 2 | 6 | 4.4 | O=C(COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1)NCCS(=O)(=O)O | nan | ||
44236217 | 152746 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2F)CC1 | nan | ||
CHEMBL3918258 | 152746 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2F)CC1 | nan | ||
44219292 | 152866 | 38 | None | 20 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | nan | ||
CHEMBL3919269 | 152866 | 38 | None | 20 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | nan | ||
44234029 | 152997 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 488 | 10 | 2 | 5 | 4.6 | O=C(O)CNC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | nan | ||
CHEMBL3920236 | 152997 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 488 | 10 | 2 | 5 | 4.6 | O=C(O)CNC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | nan | ||
44232567 | 153110 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 429 | 8 | 1 | 4 | 5.3 | Cc1cccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)c1 | nan | ||
CHEMBL3921158 | 153110 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 429 | 8 | 1 | 4 | 5.3 | Cc1cccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)c1 | nan | ||
44235983 | 153156 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 424 | 9 | 2 | 3 | 4.3 | CN(C(=O)NC[C@H]1CC[C@H](COCC(=O)O)CC1)C(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL3921534 | 153156 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 424 | 9 | 2 | 3 | 4.3 | CN(C(=O)NC[C@H]1CC[C@H](COCC(=O)O)CC1)C(c1ccccc1)c1ccccc1 | nan | ||
44234032 | 153216 | 0 | None | 22 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | nan | ||
CHEMBL3922000 | 153216 | 0 | None | 22 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | nan | ||
44233042 | 153313 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 459 | 10 | 1 | 5 | 5.4 | CCOc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)cc1 | nan | ||
CHEMBL3922686 | 153313 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 459 | 10 | 1 | 5 | 5.4 | CCOc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)cc1 | nan | ||
44235289 | 153447 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 411 | 8 | 1 | 4 | 5.2 | Cc1cccc(N(C(=O)OC[C@H]2CC[C@@H](COCC(=O)O)CC2)c2ccccc2)c1 | nan | ||
CHEMBL3923745 | 153447 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 411 | 8 | 1 | 4 | 5.2 | Cc1cccc(N(C(=O)OC[C@H]2CC[C@@H](COCC(=O)O)CC2)c2ccccc2)c1 | nan | ||
44233520 | 153608 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 429 | 8 | 1 | 4 | 5.3 | Cc1cccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccc(F)cc2)c1 | nan | ||
CHEMBL3924965 | 153608 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 429 | 8 | 1 | 4 | 5.3 | Cc1cccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccc(F)cc2)c1 | nan | ||
58172126 | 153675 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 416 | 8 | 1 | 5 | 4.4 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)cn2)CC1 | nan | ||
CHEMBL3925563 | 153675 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 416 | 8 | 1 | 5 | 4.4 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)cn2)CC1 | nan | ||
44235521 | 153734 | 0 | None | 67 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)c(F)c2)CC1 | nan | ||
CHEMBL3926078 | 153734 | 0 | None | 67 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)c(F)c2)CC1 | nan | ||
58172128 | 153779 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 427 | 9 | 1 | 5 | 4.9 | COc1ccccc1N(C(=O)OC[C@H]1CC[C@@H](COCC(=O)O)CC1)c1ccccc1 | nan | ||
CHEMBL3926491 | 153779 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 427 | 9 | 1 | 5 | 4.9 | COc1ccccc1N(C(=O)OC[C@H]1CC[C@@H](COCC(=O)O)CC1)c1ccccc1 | nan | ||
44233280 | 153793 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 | nan | ||
CHEMBL3926604 | 153793 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 | nan | ||
44235984 | 154042 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 398 | 8 | 1 | 5 | 4.3 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccnc2)CC1 | nan | ||
CHEMBL3928658 | 154042 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 398 | 8 | 1 | 5 | 4.3 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccnc2)CC1 | nan | ||
44234782 | 154050 | 0 | None | 51 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 427 | 9 | 1 | 5 | 4.9 | COc1cccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1 | nan | ||
CHEMBL3928729 | 154050 | 0 | None | 51 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 427 | 9 | 1 | 5 | 4.9 | COc1cccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1 | nan | ||
44235044 | 154363 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 427 | 9 | 1 | 5 | 4.9 | COc1ccc(N(C(=O)OC[C@H]2CC[C@@H](COCC(=O)O)CC2)c2ccccc2)cc1 | nan | ||
CHEMBL3930990 | 154363 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 427 | 9 | 1 | 5 | 4.9 | COc1ccc(N(C(=O)OC[C@H]2CC[C@@H](COCC(=O)O)CC2)c2ccccc2)cc1 | nan | ||
44234284 | 154472 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 416 | 8 | 1 | 5 | 4.4 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cncc(F)c2)CC1 | nan | ||
CHEMBL3931899 | 154472 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 416 | 8 | 1 | 5 | 4.4 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cncc(F)c2)CC1 | nan | ||
44235290 | 154633 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 321 | 7 | 2 | 4 | 3.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)Nc2ccccc2)CC1 | nan | ||
CHEMBL3933131 | 154633 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 321 | 7 | 2 | 4 | 3.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)Nc2ccccc2)CC1 | nan | ||
44234032 | 154703 | 0 | None | 38 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | nan | ||
CHEMBL3933704 | 154703 | 0 | None | 38 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | nan | ||
44232808 | 154782 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 445 | 9 | 1 | 5 | 5.0 | COc1cccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)c1 | nan | ||
CHEMBL3934336 | 154782 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 445 | 9 | 1 | 5 | 5.0 | COc1cccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)c1 | nan | ||
44234026 | 154817 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 453 | 11 | 1 | 4 | 5.5 | CCCN(C(=O)OC[C@H]1CC[C@H](COCC(=O)O)CC1)C(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL3934619 | 154817 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 453 | 11 | 1 | 4 | 5.5 | CCCN(C(=O)OC[C@H]1CC[C@H](COCC(=O)O)CC1)C(c1ccccc1)c1ccccc1 | nan | ||
44235519 | 154984 | 0 | None | 23 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 411 | 8 | 1 | 4 | 5.2 | Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 | nan | ||
CHEMBL3935924 | 154984 | 0 | None | 23 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 411 | 8 | 1 | 4 | 5.2 | Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 | nan | ||
58172127 | 154991 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 432 | 8 | 1 | 5 | 4.9 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cn2)CC1 | nan | ||
CHEMBL3935961 | 154991 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 432 | 8 | 1 | 5 | 4.9 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cn2)CC1 | nan | ||
44233038 | 155119 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 443 | 8 | 1 | 4 | 5.6 | Cc1cc(C)cc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)c1 | nan | ||
CHEMBL3937089 | 155119 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 443 | 8 | 1 | 4 | 5.6 | Cc1cc(C)cc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)c1 | nan | ||
44233283 | 155283 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 416 | 8 | 1 | 5 | 4.4 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2cccnc2)CC1 | nan | ||
CHEMBL3938313 | 155283 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 416 | 8 | 1 | 5 | 4.4 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2cccnc2)CC1 | nan | ||
44233777 | 155327 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 412 | 8 | 1 | 5 | 4.6 | Cc1cncc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1 | nan | ||
CHEMBL3938716 | 155327 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 412 | 8 | 1 | 5 | 4.6 | Cc1cncc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1 | nan | ||
44232804 | 155470 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 398 | 8 | 1 | 5 | 4.3 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccccn2)CC1 | nan | ||
CHEMBL3939932 | 155470 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 398 | 8 | 1 | 5 | 4.3 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccccn2)CC1 | nan | ||
44233518 | 155607 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 459 | 10 | 1 | 5 | 5.4 | CCOc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccc(F)cc2)cc1 | nan | ||
CHEMBL3941036 | 155607 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 459 | 10 | 1 | 5 | 5.4 | CCOc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccc(F)cc2)cc1 | nan | ||
44235519 | 155817 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 411 | 8 | 1 | 4 | 5.2 | Cc1ccc(N(C(=O)OC[C@H]2CC[C@@H](COCC(=O)O)CC2)c2ccccc2)cc1 | nan | ||
CHEMBL3942683 | 155817 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 411 | 8 | 1 | 4 | 5.2 | Cc1ccc(N(C(=O)OC[C@H]2CC[C@@H](COCC(=O)O)CC2)c2ccccc2)cc1 | nan | ||
44235043 | 155856 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 464 | 8 | 2 | 3 | 5.5 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2cccc(C(F)(F)F)c2)CC1 | nan | ||
CHEMBL3943011 | 155856 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 464 | 8 | 2 | 3 | 5.5 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2cccc(C(F)(F)F)c2)CC1 | nan | ||
44234530 | 155884 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 410 | 8 | 1 | 3 | 4.8 | CN(C[C@H]1CC[C@H](COCC(=O)O)CC1)C(=O)N(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL3943161 | 155884 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 410 | 8 | 1 | 3 | 4.8 | CN(C[C@H]1CC[C@H](COCC(=O)O)CC1)C(=O)N(c1ccccc1)c1ccccc1 | nan | ||
44232568 | 155971 | 0 | None | 346 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 467 | 8 | 1 | 4 | 5.8 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2ccc(Cl)c(F)c2)CC1 | nan | ||
CHEMBL3943791 | 155971 | 0 | None | 346 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 467 | 8 | 1 | 4 | 5.8 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2ccc(Cl)c(F)c2)CC1 | nan | ||
44234529 | 156204 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.6 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | nan | ||
CHEMBL3945849 | 156204 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.6 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | nan | ||
44234532 | 157004 | 0 | None | 31 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 397 | 8 | 1 | 4 | 4.9 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1 | nan | ||
CHEMBL3952237 | 157004 | 0 | None | 31 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 397 | 8 | 1 | 4 | 4.9 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1 | nan | ||
44233774 | 157015 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 441 | 10 | 1 | 5 | 5.3 | CCOc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 | nan | ||
CHEMBL3952293 | 157015 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 441 | 10 | 1 | 5 | 5.3 | CCOc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 | nan | ||
44233521 | 157033 | 0 | None | 81 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | nan | ||
CHEMBL3952439 | 157033 | 0 | None | 81 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | nan | ||
44235042 | 157050 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 440 | 9 | 2 | 4 | 4.8 | COc1ccc(N(C(=O)NC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c(C)c1 | nan | ||
CHEMBL3952569 | 157050 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 440 | 9 | 2 | 4 | 4.8 | COc1ccc(N(C(=O)NC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c(C)c1 | nan | ||
44232569 | 157187 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 467 | 8 | 1 | 4 | 5.8 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2ccc(F)c(Cl)c2)CC1 | nan | ||
CHEMBL3953739 | 157187 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 467 | 8 | 1 | 4 | 5.8 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2ccc(F)c(Cl)c2)CC1 | nan | ||
44233279 | 157448 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 417 | 8 | 1 | 6 | 3.8 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2cnccn2)CC1 | nan | ||
CHEMBL3955699 | 157448 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 417 | 8 | 1 | 6 | 3.8 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2cnccn2)CC1 | nan | ||
44233039 | 157675 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 429 | 8 | 1 | 4 | 5.3 | Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)cc1 | nan | ||
CHEMBL3957516 | 157675 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 429 | 8 | 1 | 4 | 5.3 | Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)cc1 | nan | ||
44232805 | 157708 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 451 | 8 | 1 | 4 | 5.3 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2cc(F)cc(F)c2)CC1 | nan | ||
CHEMBL3957760 | 157708 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 451 | 8 | 1 | 4 | 5.3 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2cc(F)cc(F)c2)CC1 | nan | ||
44235979 | 157864 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 432 | 8 | 2 | 3 | 4.7 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2cc(F)cc(F)c2)CC1 | nan | ||
CHEMBL3959044 | 157864 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 432 | 8 | 2 | 3 | 4.7 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2cc(F)cc(F)c2)CC1 | nan | ||
44233040 | 158026 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 434 | 8 | 1 | 5 | 4.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)nc2)c2cccc(F)c2)CC1 | nan | ||
CHEMBL3960203 | 158026 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 434 | 8 | 1 | 5 | 4.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)nc2)c2cccc(F)c2)CC1 | nan | ||
44233281 | 158148 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 435 | 8 | 1 | 5 | 5.4 | Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccc(F)cc2)s1 | nan | ||
CHEMBL3961361 | 158148 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 435 | 8 | 1 | 5 | 5.4 | Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccc(F)cc2)s1 | nan | ||
44235756 | 158197 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 432 | 8 | 2 | 3 | 4.7 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2cccc(F)c2F)CC1 | nan | ||
CHEMBL3961761 | 158197 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 432 | 8 | 2 | 3 | 4.7 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2cccc(F)c2F)CC1 | nan | ||
44233773 | 158205 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 438 | 9 | 1 | 3 | 4.7 | CN(C[C@H]1CC[C@H](COCC(=O)O)CC1)C(=O)N(C)C(c1ccccc1)c1ccccc1 | nan | ||
CHEMBL3961809 | 158205 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 438 | 9 | 1 | 3 | 4.7 | CN(C[C@H]1CC[C@H](COCC(=O)O)CC1)C(=O)N(C)C(c1ccccc1)c1ccccc1 | nan | ||
44235041 | 158538 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 426 | 9 | 2 | 4 | 4.5 | COc1ccc(N(C(=O)NC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 | nan | ||
CHEMBL3964788 | 158538 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 426 | 9 | 2 | 4 | 4.5 | COc1ccc(N(C(=O)NC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 | nan | ||
44235291 | 158710 | 0 | None | 19 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(Cl)c2)CC1 | nan | ||
CHEMBL3966307 | 158710 | 0 | None | 19 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(Cl)c2)CC1 | nan | ||
44235039 | 158716 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 424 | 8 | 2 | 3 | 5.1 | Cc1cccc(N(C(=O)NC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(C)c2)c1 | nan | ||
CHEMBL3966331 | 158716 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 424 | 8 | 2 | 3 | 5.1 | Cc1cccc(N(C(=O)NC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(C)c2)c1 | nan | ||
44236216 | 158933 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 417 | 8 | 1 | 5 | 5.2 | Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)s1 | nan | ||
CHEMBL3968156 | 158933 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 417 | 8 | 1 | 5 | 5.2 | Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)s1 | nan | ||
44234783 | 159008 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 424 | 8 | 2 | 3 | 5.1 | Cc1ccc(N(C(=O)NC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccc(C)cc2)cc1 | nan | ||
CHEMBL3968835 | 159008 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 424 | 8 | 2 | 3 | 5.1 | Cc1ccc(N(C(=O)NC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccc(C)cc2)cc1 | nan | ||
44235982 | 159043 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 448 | 8 | 2 | 3 | 5.2 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2cc(F)cc(Cl)c2)CC1 | nan | ||
CHEMBL3969137 | 159043 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 448 | 8 | 2 | 3 | 5.2 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2cc(F)cc(Cl)c2)CC1 | nan | ||
44232566 | 159222 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2cccc(Cl)c2)CC1 | nan | ||
CHEMBL3970829 | 159222 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2cccc(Cl)c2)CC1 | nan | ||
44235520 | 159737 | 0 | None | 89 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)cc2)CC1 | nan | ||
CHEMBL3975122 | 159737 | 0 | None | 89 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)cc2)CC1 | nan | ||
44234528 | 159764 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.4 | O=C(O)COC[C@H]1CC[C@@H](CNC(=O)N(c2ccccc2)c2ccccc2)CC1 | nan | ||
CHEMBL3975263 | 159764 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 396 | 8 | 2 | 3 | 4.4 | O=C(O)COC[C@H]1CC[C@@H](CNC(=O)N(c2ccccc2)c2ccccc2)CC1 | nan | ||
44234283 | 159772 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 466 | 8 | 1 | 5 | 5.3 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(C(F)(F)F)cn2)CC1 | nan | ||
CHEMBL3975307 | 159772 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 466 | 8 | 1 | 5 | 5.3 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(C(F)(F)F)cn2)CC1 | nan | ||
44232807 | 159882 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2cccc(F)c2)CC1 | nan | ||
CHEMBL3976286 | 159882 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2cccc(F)c2)CC1 | nan | ||
44233519 | 160016 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 499 | 9 | 1 | 5 | 5.9 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2ccc(OC(F)(F)F)cc2)CC1 | nan | ||
CHEMBL3977415 | 160016 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 499 | 9 | 1 | 5 | 5.9 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2ccc(OC(F)(F)F)cc2)CC1 | nan | ||
44236218 | 160033 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 448 | 8 | 2 | 3 | 5.2 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2ccc(Cl)c(F)c2)CC1 | nan | ||
CHEMBL3977559 | 160033 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 448 | 8 | 2 | 3 | 5.2 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2ccc(Cl)c(F)c2)CC1 | nan | ||
44234779 | 160058 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.6 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2ccccc2F)CC1 | nan | ||
CHEMBL3977761 | 160058 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 414 | 8 | 2 | 3 | 4.6 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2ccccc2F)CC1 | nan | ||
44235980 | 160203 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 448 | 8 | 2 | 3 | 5.2 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2cccc(Cl)c2F)CC1 | nan | ||
CHEMBL3979096 | 160203 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 448 | 8 | 2 | 3 | 5.2 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2cccc(Cl)c2F)CC1 | nan | ||
44233043 | 160393 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 499 | 9 | 1 | 5 | 5.9 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2cccc(OC(F)(F)F)c2)CC1 | nan | ||
CHEMBL3980758 | 160393 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 499 | 9 | 1 | 5 | 5.9 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2cccc(OC(F)(F)F)c2)CC1 | nan | ||
44234782 | 160468 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 427 | 9 | 1 | 5 | 4.9 | COc1cccc(N(C(=O)OC[C@H]2CC[C@@H](COCC(=O)O)CC2)c2ccccc2)c1 | nan | ||
CHEMBL3981383 | 160468 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 427 | 9 | 1 | 5 | 4.9 | COc1cccc(N(C(=O)OC[C@H]2CC[C@@H](COCC(=O)O)CC2)c2ccccc2)c1 | nan | ||
44235981 | 160484 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cc(F)cc(Cl)c2)CC1 | nan | ||
CHEMBL3981484 | 160484 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cc(F)cc(Cl)c2)CC1 | nan | ||
44235755 | 160487 | 0 | None | 81 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(F)c2)CC1 | nan | ||
CHEMBL3981509 | 160487 | 0 | None | 81 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(F)c2)CC1 | nan | ||
44232803 | 160573 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 447 | 8 | 1 | 4 | 5.5 | Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)cc1F | nan | ||
CHEMBL3982288 | 160573 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 447 | 8 | 1 | 4 | 5.5 | Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)cc1F | nan | ||
44233278 | 160684 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 416 | 8 | 1 | 5 | 4.4 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccnc2)c2cccc(F)c2)CC1 | nan | ||
CHEMBL3983200 | 160684 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 416 | 8 | 1 | 5 | 4.4 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccnc2)c2cccc(F)c2)CC1 | nan | ||
44232565 | 160751 | 0 | None | 95 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2cccc(F)c2)CC1 | nan | ||
CHEMBL3983767 | 160751 | 0 | None | 95 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2cccc(F)c2)CC1 | nan | ||
44235754 | 160777 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cc(F)cc(F)c2)CC1 | nan | ||
CHEMBL3984010 | 160777 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cc(F)cc(F)c2)CC1 | nan | ||
44234278 | 160799 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 410 | 9 | 3 | 3 | 4.0 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)NC(c2ccccc2)c2ccccc2)CC1 | nan | ||
CHEMBL3984207 | 160799 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 410 | 9 | 3 | 3 | 4.0 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)NC(c2ccccc2)c2ccccc2)CC1 | nan | ||
44235753 | 160958 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 429 | 8 | 1 | 4 | 5.3 | Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1F | nan | ||
CHEMBL3985726 | 160958 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 429 | 8 | 1 | 4 | 5.3 | Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1F | nan | ||
118727297 | 124190 | 0 | None | 1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1ccc(-c2nn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)cc2-c2ccccc2)c(F)c1 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398218 | 124190 | 0 | None | 1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1ccc(-c2nn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)cc2-c2ccccc2)c(F)c1 | 10.1016/j.bmcl.2015.01.024 | ||
118727311 | 124204 | 0 | None | 2 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3)c(-c3ccc(F)cc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398232 | 124204 | 0 | None | 2 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3)c(-c3ccc(F)cc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
118727315 | 124208 | 0 | None | -10 | 3 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 520 | 7 | 1 | 5 | 5.3 | O=C(O)COc1cccc2c1CC[C@@H](Cn1ncc(-c3cccc(F)c3F)c(-c3ccc(F)cc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398236 | 124208 | 0 | None | -10 | 3 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 520 | 7 | 1 | 5 | 5.3 | O=C(O)COc1cccc2c1CC[C@@H](Cn1ncc(-c3cccc(F)c3F)c(-c3ccc(F)cc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
5077 | 10351 | 79 | None | -7 | 13 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.6b00871 | ||
7552 | 10351 | 79 | None | -7 | 13 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.6b00871 | ||
9913767 | 10351 | 79 | None | -7 | 13 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL238804 | 10351 | 79 | None | -7 | 13 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.6b00871 | ||
DB11362 | 10351 | 79 | None | -7 | 13 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.6b00871 | ||
44234532 | 157004 | 0 | None | 31 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 397 | 8 | 1 | 4 | 4.9 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3952237 | 157004 | 0 | None | 31 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 397 | 8 | 1 | 4 | 4.9 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
118727285 | 124178 | 0 | None | -104 | 3 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 466 | 7 | 1 | 5 | 4.8 | O=C(O)COc1cccc2c1CCC(Cn1nc(-c3ccccc3)c(-c3ccccc3)cc1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398206 | 124178 | 0 | None | -104 | 3 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 466 | 7 | 1 | 5 | 4.8 | O=C(O)COc1cccc2c1CCC(Cn1nc(-c3ccccc3)c(-c3ccccc3)cc1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
5852 | 9395 | 55 | None | 1 | 6 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.6b00871 | ||
9931891 | 9395 | 55 | None | 1 | 6 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL239226 | 9395 | 55 | None | 1 | 6 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.6b00871 | ||
44232568 | 155971 | 0 | None | 346 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 467 | 8 | 1 | 4 | 5.8 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2ccc(Cl)c(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3943791 | 155971 | 0 | None | 346 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 467 | 8 | 1 | 4 | 5.8 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2ccc(Cl)c(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
118727293 | 124186 | 0 | None | -2 | 2 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1nc(-c3cccc(F)c3)c(-c3ccccc3)cc1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398214 | 124186 | 0 | None | -2 | 2 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1nc(-c3cccc(F)c3)c(-c3ccccc3)cc1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
118727295 | 124188 | 0 | None | 5 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 480 | 7 | 1 | 5 | 5.2 | Cc1ccc(-c2nn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)cc2-c2ccccc2)cc1 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398216 | 124188 | 0 | None | 5 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 480 | 7 | 1 | 5 | 5.2 | Cc1ccc(-c2nn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)cc2-c2ccccc2)cc1 | 10.1016/j.bmcl.2015.01.024 | ||
58172125 | 150022 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 447 | 8 | 2 | 5 | 5.2 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(O)cc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3896580 | 150022 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 447 | 8 | 2 | 5 | 5.2 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(O)cc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
44304181 | 210052 | 0 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 394 | 13 | 3 | 4 | 4.3 | CCCC1([C@@H](O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
CHEMBL64663 | 210052 | 0 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 394 | 13 | 3 | 4 | 4.3 | CCCC1([C@@H](O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
127052614 | 147004 | 0 | None | -645 | 6 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 415 | 7 | 2 | 6 | 4.1 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3/C=C/CCOc3ccccc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
CHEMBL3805176 | 147004 | 0 | None | -645 | 6 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 415 | 7 | 2 | 6 | 4.1 | O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3/C=C/CCOc3ccccc3)O2)n1 | 10.1021/acsmedchemlett.5b00455 | ||
118727310 | 124203 | 0 | None | 3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3)c(-c3cccc(F)c3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398231 | 124203 | 0 | None | 3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3)c(-c3cccc(F)c3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
118727301 | 124194 | 0 | None | -1 | 3 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 466 | 7 | 1 | 5 | 4.8 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398222 | 124194 | 0 | None | -1 | 3 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 466 | 7 | 1 | 5 | 4.8 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
118727304 | 124197 | 0 | None | -3 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 500 | 7 | 1 | 5 | 5.5 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(Cl)c3)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398225 | 124197 | 0 | None | -3 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 500 | 7 | 1 | 5 | 5.5 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(Cl)c3)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
5283086 | 210089 | 24 | None | -1258 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O | 10.1016/s0960-894x(01)00359-6 | ||
CHEMBL64804 | 210089 | 24 | None | -1258 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 352 | 12 | 3 | 4 | 3.3 | CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O | 10.1016/s0960-894x(01)00359-6 | ||
118727314 | 124207 | 0 | None | -6 | 3 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 520 | 7 | 1 | 5 | 5.3 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(F)c3F)c(-c3ccc(F)cc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398235 | 124207 | 0 | None | -6 | 3 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 520 | 7 | 1 | 5 | 5.3 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(F)c3F)c(-c3ccc(F)cc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
118727286 | 124179 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 496 | 8 | 1 | 6 | 4.9 | COc1ccc(-c2cc(=O)n(CC3CCc4c(cccc4OCC(=O)O)C3)nc2-c2ccccc2)cc1 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398207 | 124179 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 496 | 8 | 1 | 6 | 4.9 | COc1ccc(-c2cc(=O)n(CC3CCc4c(cccc4OCC(=O)O)C3)nc2-c2ccccc2)cc1 | 10.1016/j.bmcl.2015.01.024 | ||
44235291 | 158710 | 0 | None | -19 | 3 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3966307 | 158710 | 0 | None | -19 | 3 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
44232568 | 155971 | 0 | None | -346 | 2 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 467 | 8 | 1 | 4 | 5.8 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2ccc(Cl)c(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3943791 | 155971 | 0 | None | -346 | 2 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 467 | 8 | 1 | 4 | 5.8 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2ccc(Cl)c(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
118727299 | 124192 | 0 | None | -2 | 3 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 510 | 8 | 1 | 6 | 5.2 | COc1cccc(-c2cc(=O)n(CC3CCc4c(cccc4OCC(=O)O)C3)nc2-c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398220 | 124192 | 0 | None | -2 | 3 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 510 | 8 | 1 | 6 | 5.2 | COc1cccc(-c2cc(=O)n(CC3CCc4c(cccc4OCC(=O)O)C3)nc2-c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2015.01.024 | ||
44234032 | 154703 | 0 | None | -38 | 3 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3933704 | 154703 | 0 | None | -38 | 3 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
56839536 | 149947 | 0 | None | -16 | 7 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 604 | 15 | 2 | 7 | 5.1 | CCCCCCCCNC(=O)c1coc([C@@H]2CCCN2Cc2cc(F)ccc2CCC(=O)NS(=O)(=O)C(F)(F)F)n1 | nan | ||
CHEMBL3896035 | 149947 | 0 | None | -16 | 7 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 604 | 15 | 2 | 7 | 5.1 | CCCCCCCCNC(=O)c1coc([C@@H]2CCCN2Cc2cc(F)ccc2CCC(=O)NS(=O)(=O)C(F)(F)F)n1 | nan | ||
44235044 | 149641 | 0 | None | 28 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 427 | 9 | 1 | 5 | 4.9 | COc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3893346 | 149641 | 0 | None | 28 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 427 | 9 | 1 | 5 | 4.9 | COc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 | 10.1021/acs.jmedchem.6b00871 | ||
44235521 | 153734 | 0 | None | 67 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)c(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3926078 | 153734 | 0 | None | 67 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)c(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
44235519 | 154984 | 0 | None | 23 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 411 | 8 | 1 | 4 | 5.2 | Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3935924 | 154984 | 0 | None | 23 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 411 | 8 | 1 | 4 | 5.2 | Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 | 10.1021/acs.jmedchem.6b00871 | ||
118727287 | 124180 | 0 | None | -18 | 3 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 496 | 8 | 1 | 6 | 4.9 | COc1cccc(-c2cc(=O)n(CC3CCc4c(cccc4OCC(=O)O)C3)nc2-c2ccccc2)c1 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398208 | 124180 | 0 | None | -18 | 3 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 496 | 8 | 1 | 6 | 4.9 | COc1cccc(-c2cc(=O)n(CC3CCc4c(cccc4OCC(=O)O)C3)nc2-c2ccccc2)c1 | 10.1016/j.bmcl.2015.01.024 | ||
44232564 | 152207 | 0 | None | -446 | 3 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(Cl)cc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3914174 | 152207 | 0 | None | -446 | 3 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(Cl)cc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
118727314 | 124207 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 520 | 7 | 1 | 5 | 5.3 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(F)c3F)c(-c3ccc(F)cc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398235 | 124207 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 520 | 7 | 1 | 5 | 5.3 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(F)c3F)c(-c3ccc(F)cc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
1883 | 9856 | 75 | None | -54 | 12 | Human | 6.5 | pEC50 | = | 6.5 | Functional | 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 | 10.1021/acsmedchemlett.5b00455 | ||
1916 | 9856 | 75 | None | -54 | 12 | Human | 6.5 | pEC50 | = | 6.5 | Functional | 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 | 10.1021/acsmedchemlett.5b00455 | ||
5280360 | 9856 | 75 | None | -54 | 12 | Human | 6.5 | pEC50 | = | 6.5 | Functional | 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 | 10.1021/acsmedchemlett.5b00455 | ||
913 | 9856 | 75 | None | -54 | 12 | Human | 6.5 | pEC50 | = | 6.5 | Functional | 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 | 10.1021/acsmedchemlett.5b00455 | ||
CHEMBL548 | 9856 | 75 | None | -54 | 12 | Human | 6.5 | pEC50 | = | 6.5 | Functional | 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 | 10.1021/acsmedchemlett.5b00455 | ||
DB00917 | 9856 | 75 | None | -54 | 12 | Human | 6.5 | pEC50 | = | 6.5 | Functional | 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 | 10.1021/acsmedchemlett.5b00455 | ||
118727291 | 124184 | 0 | None | -57 | 3 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1cccc(-c2cc(=O)n(CC3CCc4c(cccc4OCC(=O)O)C3)nc2-c2ccccc2)c1F | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398212 | 124184 | 0 | None | -57 | 3 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1cccc(-c2cc(=O)n(CC3CCc4c(cccc4OCC(=O)O)C3)nc2-c2ccccc2)c1F | 10.1016/j.bmcl.2015.01.024 | ||
118727290 | 124183 | 0 | None | -6 | 3 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 500 | 7 | 1 | 5 | 5.5 | O=C(O)COc1cccc2c1CCC(Cn1nc(-c3ccccc3)c(-c3cccc(Cl)c3)cc1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398211 | 124183 | 0 | None | -6 | 3 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 500 | 7 | 1 | 5 | 5.5 | O=C(O)COc1cccc2c1CCC(Cn1nc(-c3ccccc3)c(-c3cccc(Cl)c3)cc1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
44234532 | 157004 | 0 | None | -32 | 3 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 397 | 8 | 1 | 4 | 4.9 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3952237 | 157004 | 0 | None | -32 | 3 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 397 | 8 | 1 | 4 | 4.9 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
118727291 | 124184 | 0 | None | -6 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1cccc(-c2cc(=O)n(CC3CCc4c(cccc4OCC(=O)O)C3)nc2-c2ccccc2)c1F | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398212 | 124184 | 0 | None | -6 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1cccc(-c2cc(=O)n(CC3CCc4c(cccc4OCC(=O)O)C3)nc2-c2ccccc2)c1F | 10.1016/j.bmcl.2015.01.024 | ||
44303980 | 174853 | 0 | None | -1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 408 | 13 | 2 | 5 | 4.3 | CCCC1([C@@H](O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
CHEMBL432522 | 174853 | 0 | None | -1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 408 | 13 | 2 | 5 | 4.3 | CCCC1([C@@H](O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
118727288 | 124181 | 0 | None | -14 | 3 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 480 | 7 | 1 | 5 | 5.2 | Cc1cccc(-c2cc(=O)n(CC3CCc4c(cccc4OCC(=O)O)C3)nc2-c2ccccc2)c1 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398209 | 124181 | 0 | None | -14 | 3 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 480 | 7 | 1 | 5 | 5.2 | Cc1cccc(-c2cc(=O)n(CC3CCc4c(cccc4OCC(=O)O)C3)nc2-c2ccccc2)c1 | 10.1016/j.bmcl.2015.01.024 | ||
118727309 | 124202 | 0 | None | -2 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3)c(-c3ccccc3F)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398230 | 124202 | 0 | None | -2 | 2 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3)c(-c3ccccc3F)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
118727307 | 124200 | 0 | None | 1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 502 | 7 | 1 | 5 | 5.1 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(F)c3F)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398228 | 124200 | 0 | None | 1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 502 | 7 | 1 | 5 | 5.1 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(F)c3F)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
44235522 | 149298 | 0 | None | 53 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(Cl)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3890685 | 149298 | 0 | None | 53 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(Cl)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
118727289 | 124182 | 0 | None | -8 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1nc(-c3ccccc3)c(-c3cccc(F)c3)cc1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398210 | 124182 | 0 | None | -8 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1nc(-c3ccccc3)c(-c3cccc(F)c3)cc1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
118727312 | 124205 | 0 | None | -3 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 496 | 8 | 1 | 6 | 4.9 | COc1ccc(-c2c(-c3ccccc3)cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c2=O)cc1 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398233 | 124205 | 0 | None | -3 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 496 | 8 | 1 | 6 | 4.9 | COc1ccc(-c2c(-c3ccccc3)cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c2=O)cc1 | 10.1016/j.bmcl.2015.01.024 | ||
118727308 | 124201 | 0 | None | -1 | 3 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1cccc(-c2cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)c2-c2ccccc2)c1F | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398229 | 124201 | 0 | None | -1 | 3 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1cccc(-c2cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)c2-c2ccccc2)c1F | 10.1016/j.bmcl.2015.01.024 | ||
44235521 | 153734 | 0 | None | -67 | 3 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)c(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3926078 | 153734 | 0 | None | -67 | 3 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)c(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
44233521 | 157033 | 0 | None | 81 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3952439 | 157033 | 0 | None | 81 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
118727303 | 124196 | 0 | None | -4 | 3 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(F)c3)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398224 | 124196 | 0 | None | -4 | 3 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(F)c3)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
118727306 | 124199 | 0 | None | -13 | 3 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3F)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398227 | 124199 | 0 | None | -13 | 3 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3F)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
44219292 | 152866 | 38 | None | 20 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3919269 | 152866 | 38 | None | 20 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
69753740 | 147000 | 0 | None | -12 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 390 | 9 | 3 | 5 | 2.8 | O=C(O)CCC[C@H]1CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)O1 | 10.1021/acsmedchemlett.5b00455 | ||
CHEMBL3805134 | 147000 | 0 | None | -12 | 5 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 390 | 9 | 3 | 5 | 2.8 | O=C(O)CCC[C@H]1CC[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2ccccc2)O1 | 10.1021/acsmedchemlett.5b00455 | ||
44234782 | 154050 | 0 | None | -51 | 3 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 427 | 9 | 1 | 5 | 4.9 | COc1cccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3928729 | 154050 | 0 | None | -51 | 3 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 427 | 9 | 1 | 5 | 4.9 | COc1cccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1 | 10.1021/acs.jmedchem.6b00871 | ||
44234532 | 150447 | 0 | None | -23 | 3 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 397 | 8 | 1 | 4 | 4.9 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3900038 | 150447 | 0 | None | -23 | 3 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 397 | 8 | 1 | 4 | 4.9 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
118352160 | 146207 | 0 | None | -7079 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.1 | Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
CHEMBL3793892 | 146207 | 0 | None | -7079 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.1 | Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
44236221 | 154497 | 0 | None | 97 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 445 | 9 | 1 | 5 | 5.0 | COc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)cc1 | nan | ||
CHEMBL3932106 | 154497 | 0 | None | 97 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 445 | 9 | 1 | 5 | 5.0 | COc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)cc1 | nan | ||
44236221 | 154497 | 0 | None | 97 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 445 | 9 | 1 | 5 | 5.0 | COc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)cc1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3932106 | 154497 | 0 | None | 97 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 445 | 9 | 1 | 5 | 5.0 | COc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)cc1 | 10.1021/acs.jmedchem.6b00871 | ||
118727298 | 124191 | 0 | None | -16 | 3 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1ccc(-c2nn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)cc2-c2ccccc2)cc1F | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398219 | 124191 | 0 | None | -16 | 3 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1ccc(-c2nn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)cc2-c2ccccc2)cc1F | 10.1016/j.bmcl.2015.01.024 | ||
44219292 | 119359 | 38 | None | -54 | 3 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3301604 | 119359 | 38 | None | -54 | 3 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3919269 | 119359 | 38 | None | -54 | 3 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
DB12462 | 119359 | 38 | None | -54 | 3 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
118352285 | 146247 | 0 | None | -2398 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 406 | 5 | 2 | 5 | 4.2 | Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4ccc(C(=O)O)o4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
CHEMBL3794226 | 146247 | 0 | None | -2398 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 406 | 5 | 2 | 5 | 4.2 | Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4ccc(C(=O)O)o4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
44235520 | 159737 | 0 | None | -89 | 3 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3975122 | 159737 | 0 | None | -89 | 3 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
44234532 | 150447 | 0 | None | 23 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 397 | 8 | 1 | 4 | 4.9 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3900038 | 150447 | 0 | None | 23 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 397 | 8 | 1 | 4 | 4.9 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
56649302 | 159445 | 0 | None | -14 | 6 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 630 | 13 | 2 | 7 | 5.5 | O=C(CCc1ccc(F)cc1CN1CCC[C@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1)NS(=O)(=O)C(F)(F)F | nan | ||
CHEMBL3972583 | 159445 | 0 | None | -14 | 6 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 630 | 13 | 2 | 7 | 5.5 | O=C(CCc1ccc(F)cc1CN1CCC[C@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1)NS(=O)(=O)C(F)(F)F | nan | ||
44235520 | 154051 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccc(F)cc2)CC1 | nan | ||
CHEMBL3928737 | 154051 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccc(F)cc2)CC1 | nan | ||
44219292 | 152866 | 38 | None | -20 | 3 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3919269 | 152866 | 38 | None | -20 | 3 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
44234032 | 153216 | 0 | None | -22 | 3 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3922000 | 153216 | 0 | None | -22 | 3 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
118727315 | 124208 | 0 | None | 4 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 1 | 5 | 5.3 | O=C(O)COc1cccc2c1CC[C@@H](Cn1ncc(-c3cccc(F)c3F)c(-c3ccc(F)cc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398236 | 124208 | 0 | None | 4 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 1 | 5 | 5.3 | O=C(O)COc1cccc2c1CC[C@@H](Cn1ncc(-c3cccc(F)c3F)c(-c3ccc(F)cc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
5077 | 10351 | 79 | None | -5 | 13 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.6b00871 | ||
7552 | 10351 | 79 | None | -5 | 13 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.6b00871 | ||
9913767 | 10351 | 79 | None | -5 | 13 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL238804 | 10351 | 79 | None | -5 | 13 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.6b00871 | ||
DB11362 | 10351 | 79 | None | -5 | 13 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.6b00871 | ||
44235520 | 159737 | 0 | None | 89 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3975122 | 159737 | 0 | None | 89 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
118727287 | 124180 | 0 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 496 | 8 | 1 | 6 | 4.9 | COc1cccc(-c2cc(=O)n(CC3CCc4c(cccc4OCC(=O)O)C3)nc2-c2ccccc2)c1 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398208 | 124180 | 0 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 496 | 8 | 1 | 6 | 4.9 | COc1cccc(-c2cc(=O)n(CC3CCc4c(cccc4OCC(=O)O)C3)nc2-c2ccccc2)c1 | 10.1016/j.bmcl.2015.01.024 | ||
118727290 | 124183 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 500 | 7 | 1 | 5 | 5.5 | O=C(O)COc1cccc2c1CCC(Cn1nc(-c3ccccc3)c(-c3cccc(Cl)c3)cc1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398211 | 124183 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 500 | 7 | 1 | 5 | 5.5 | O=C(O)COc1cccc2c1CCC(Cn1nc(-c3ccccc3)c(-c3cccc(Cl)c3)cc1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
118727303 | 124196 | 0 | None | -1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(F)c3)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398224 | 124196 | 0 | None | -1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(F)c3)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
44234531 | 158196 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 430 | 8 | 2 | 3 | 5.1 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2cccc(Cl)c2)CC1 | nan | ||
CHEMBL3961754 | 158196 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 430 | 8 | 2 | 3 | 5.1 | O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2cccc(Cl)c2)CC1 | nan | ||
118727300 | 124193 | 0 | None | -2 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1cccc(-c2cc(=O)n(CC3CCc4c(cccc4OCC(=O)O)C3)nc2-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398221 | 124193 | 0 | None | -2 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1cccc(-c2cc(=O)n(CC3CCc4c(cccc4OCC(=O)O)C3)nc2-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2015.01.024 | ||
44234032 | 153216 | 0 | None | 22 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3922000 | 153216 | 0 | None | 22 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
118727300 | 124193 | 0 | None | -25 | 3 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1cccc(-c2cc(=O)n(CC3CCc4c(cccc4OCC(=O)O)C3)nc2-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398221 | 124193 | 0 | None | -25 | 3 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1cccc(-c2cc(=O)n(CC3CCc4c(cccc4OCC(=O)O)C3)nc2-c2ccc(F)cc2)c1 | 10.1016/j.bmcl.2015.01.024 | ||
44235755 | 160487 | 0 | None | -81 | 3 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3981509 | 160487 | 0 | None | -81 | 3 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
118727302 | 124195 | 0 | None | -14 | 3 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 496 | 8 | 1 | 6 | 4.9 | COc1cccc(-c2cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)c2-c2ccccc2)c1 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398223 | 124195 | 0 | None | -14 | 3 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 496 | 8 | 1 | 6 | 4.9 | COc1cccc(-c2cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)c2-c2ccccc2)c1 | 10.1016/j.bmcl.2015.01.024 | ||
44232565 | 160751 | 0 | None | 95 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3983767 | 160751 | 0 | None | 95 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
118727316 | 124209 | 0 | None | -7 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 427 | 9 | 1 | 4 | 5.3 | O=C(O)COc1cccc2c1CCC=C2CCON=C(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398237 | 124209 | 0 | None | -7 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 427 | 9 | 1 | 4 | 5.3 | O=C(O)COc1cccc2c1CCC=C2CCON=C(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2015.01.024 | ||
118727310 | 124203 | 0 | None | -3 | 2 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3)c(-c3cccc(F)c3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398231 | 124203 | 0 | None | -3 | 2 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3)c(-c3cccc(F)c3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
127029402 | 146136 | 0 | None | -524 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.6 | Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)co4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
CHEMBL3793009 | 146136 | 0 | None | -524 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.6 | Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)co4)CC[C@@H]32)ccc1Cl | 10.1016/j.bmcl.2016.03.110 | ||
118727294 | 124187 | 0 | None | -5 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 496 | 8 | 1 | 6 | 4.9 | COc1ccc(-c2nn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)cc2-c2ccccc2)cc1 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398215 | 124187 | 0 | None | -5 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 496 | 8 | 1 | 6 | 4.9 | COc1ccc(-c2nn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)cc2-c2ccccc2)cc1 | 10.1016/j.bmcl.2015.01.024 | ||
44219292 | 119359 | 38 | None | 54 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3301604 | 119359 | 38 | None | 54 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3919269 | 119359 | 38 | None | 54 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
DB12462 | 119359 | 38 | None | 54 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
44234032 | 154703 | 0 | None | 38 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3933704 | 154703 | 0 | None | 38 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
118727313 | 124206 | 0 | None | 2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1ccc(-c2c(-c3ccccc3)cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c2=O)cc1F | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398234 | 124206 | 0 | None | 2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1ccc(-c2c(-c3ccccc3)cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c2=O)cc1F | 10.1016/j.bmcl.2015.01.024 | ||
118727304 | 124197 | 0 | None | 3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 500 | 7 | 1 | 5 | 5.5 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(Cl)c3)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398225 | 124197 | 0 | None | 3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 500 | 7 | 1 | 5 | 5.5 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(Cl)c3)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
56839342 | 155786 | 0 | None | -85 | 7 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 646 | 13 | 2 | 7 | 6.0 | O=C(CCc1ccc(Cl)cc1CN1CCC[C@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1)NS(=O)(=O)C(F)(F)F | nan | ||
CHEMBL3942394 | 155786 | 0 | None | -85 | 7 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 646 | 13 | 2 | 7 | 6.0 | O=C(CCc1ccc(Cl)cc1CN1CCC[C@H]1c1nc(C(=O)NCCCCC2CCCCC2)co1)NS(=O)(=O)C(F)(F)F | nan | ||
118727299 | 124192 | 0 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 510 | 8 | 1 | 6 | 5.2 | COc1cccc(-c2cc(=O)n(CC3CCc4c(cccc4OCC(=O)O)C3)nc2-c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398220 | 124192 | 0 | None | 1 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 510 | 8 | 1 | 6 | 5.2 | COc1cccc(-c2cc(=O)n(CC3CCc4c(cccc4OCC(=O)O)C3)nc2-c2ccc(C)cc2)c1 | 10.1016/j.bmcl.2015.01.024 | ||
118727289 | 124182 | 0 | None | -20 | 3 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1nc(-c3ccccc3)c(-c3cccc(F)c3)cc1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398210 | 124182 | 0 | None | -20 | 3 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1nc(-c3ccccc3)c(-c3cccc(F)c3)cc1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
44234028 | 152650 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 538 | 11 | 2 | 6 | 4.4 | O=C(COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1)NCCS(=O)(=O)O | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3917503 | 152650 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 538 | 11 | 2 | 6 | 4.4 | O=C(COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1)NCCS(=O)(=O)O | 10.1021/acs.jmedchem.6b00871 | ||
56839343 | 151057 | 0 | None | -257 | 6 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 642 | 14 | 2 | 8 | 5.4 | COc1ccc(CCC(=O)NS(=O)(=O)C(F)(F)F)c(CN2CCC[C@H]2c2nc(C(=O)NCCCCC3CCCCC3)co2)c1 | nan | ||
CHEMBL3904989 | 151057 | 0 | None | -257 | 6 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 642 | 14 | 2 | 8 | 5.4 | COc1ccc(CCC(=O)NS(=O)(=O)C(F)(F)F)c(CN2CCC[C@H]2c2nc(C(=O)NCCCCC3CCCCC3)co2)c1 | nan | ||
118727285 | 124178 | 0 | None | -46 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 466 | 7 | 1 | 5 | 4.8 | O=C(O)COc1cccc2c1CCC(Cn1nc(-c3ccccc3)c(-c3ccccc3)cc1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398206 | 124178 | 0 | None | -46 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 466 | 7 | 1 | 5 | 4.8 | O=C(O)COc1cccc2c1CCC(Cn1nc(-c3ccccc3)c(-c3ccccc3)cc1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
24901445 | 94021 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 440 | 8 | 2 | 5 | 4.3 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCc3ccccn3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL232964 | 94021 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 440 | 8 | 2 | 5 | 4.3 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCc3ccccn3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
44416266 | 21472 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 467 | 8 | 1 | 4 | 7.0 | O=C(O)COc1cccc(C[C@@H]2CCCC[C@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL1206115 | 21472 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 467 | 8 | 1 | 4 | 7.0 | O=C(O)COc1cccc(C[C@@H]2CCCC[C@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL212943 | 21472 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 467 | 8 | 1 | 4 | 7.0 | O=C(O)COc1cccc(C[C@@H]2CCCC[C@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
44416264 | 21628 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 467 | 8 | 1 | 4 | 7.0 | O=C(O)COc1cccc(C[C@@H]2CCCC[C@@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL1207438 | 21628 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 467 | 8 | 1 | 4 | 7.0 | O=C(O)COc1cccc(C[C@@H]2CCCC[C@@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL405770 | 21628 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 467 | 8 | 1 | 4 | 7.0 | O=C(O)COc1cccc(C[C@@H]2CCCC[C@@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
10028418 | 21444 | 3 | None | -19 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL1205677 | 21444 | 3 | None | -19 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL132589 | 21444 | 3 | None | -19 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
24901438 | 93476 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 439 | 8 | 2 | 4 | 4.9 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCc3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL231746 | 93476 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 439 | 8 | 2 | 4 | 4.9 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCc3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
10694649 | 20339 | 0 | None | 2 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 445 | 10 | 2 | 4 | 6.4 | O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NC(=O)c1ccc(/N=N/c2ccccc2)cc1 | 10.1021/jm970343g | ||
CHEMBL119397 | 20339 | 0 | None | 2 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 445 | 10 | 2 | 4 | 6.4 | O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NC(=O)c1ccc(/N=N/c2ccccc2)cc1 | 10.1021/jm970343g | ||
10671942 | 110993 | 0 | None | -16 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | 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 | -16 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | 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 | ||
16664733 | 161606 | 0 | None | 275 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 483 | 9 | 3 | 5 | 4.3 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL400404 | 161606 | 0 | None | 275 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 483 | 9 | 3 | 5 | 4.3 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
24901440 | 93764 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 453 | 8 | 1 | 4 | 5.2 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N(C)CCc3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL232362 | 93764 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 453 | 8 | 1 | 4 | 5.2 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N(C)CCc3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
24901439 | 93561 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 439 | 7 | 2 | 4 | 5.4 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NC(C)c3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL232156 | 93561 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 439 | 7 | 2 | 4 | 5.4 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NC(C)c3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
24901443 | 93978 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 5.4 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NC[C@@H](C)c3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL232767 | 93978 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 5.4 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NC[C@@H](C)c3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
10717385 | 175291 | 0 | None | -25703 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | 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 | -25703 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | 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 | ||
24901449 | 160377 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 349 | 5 | 2 | 4 | 3.3 | CNC(=O)c1ncoc1Cc1ccc(-c2cccc(NC(C)=O)c2)cc1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL398063 | 160377 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 349 | 5 | 2 | 4 | 3.3 | CNC(=O)c1ncoc1Cc1ccc(-c2cccc(NC(C)=O)c2)cc1 | 10.1016/j.bmcl.2006.12.025 | ||
24901451 | 161214 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 406 | 8 | 2 | 5 | 3.2 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCN(C)C)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL399000 | 161214 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 406 | 8 | 2 | 5 | 3.2 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCN(C)C)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
10529683 | 170423 | 0 | None | -4 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | 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 | -4 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | 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 | ||
24901441 | 152875 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 451 | 7 | 2 | 4 | 5.2 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N[C@H]3C[C@@H]3c3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL391933 | 152875 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 451 | 7 | 2 | 4 | 5.2 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N[C@H]3C[C@@H]3c3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
44432434 | 93461 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 363 | 5 | 1 | 4 | 3.6 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N(C)C)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL231709 | 93461 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 363 | 5 | 1 | 4 | 3.6 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N(C)C)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
44416281 | 21473 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 453 | 8 | 1 | 4 | 6.6 | O=C(O)COc1cccc(C[C@@H]2CCC[C@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL1206120 | 21473 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 453 | 8 | 1 | 4 | 6.6 | O=C(O)COc1cccc(C[C@@H]2CCC[C@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL215442 | 21473 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 453 | 8 | 1 | 4 | 6.6 | O=C(O)COc1cccc(C[C@@H]2CCC[C@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
10553794 | 170417 | 0 | None | -14 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 512 | 10 | 2 | 6 | 5.4 | O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2oc3cc([N+](=O)[O-])ccc3c2c1 | 10.1021/jm970343g | ||
CHEMBL420398 | 170417 | 0 | None | -14 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 512 | 10 | 2 | 6 | 5.4 | O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2oc3cc([N+](=O)[O-])ccc3c2c1 | 10.1021/jm970343g | ||
24901447 | 94074 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 440 | 8 | 2 | 5 | 4.3 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCc3ccncc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL233170 | 94074 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 440 | 8 | 2 | 5 | 4.3 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCc3ccncc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
10139047 | 19605 | 0 | None | 14 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 454 | 8 | 1 | 5 | 5.8 | O=C(O)COc1cccc(CN2CCC[C@@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL1188479 | 19605 | 0 | None | 14 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 454 | 8 | 1 | 5 | 5.8 | O=C(O)COc1cccc(CN2CCC[C@@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL439357 | 19605 | 0 | None | 14 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 454 | 8 | 1 | 5 | 5.8 | O=C(O)COc1cccc(CN2CCC[C@@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
10623568 | 212107 | 0 | None | -9 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | 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 | -9 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | 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 | ||
24901442 | 93815 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 5.4 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NC[C@H](C)c3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL232578 | 93815 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 5.4 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NC[C@H](C)c3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
44416279 | 21590 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 453 | 8 | 1 | 4 | 6.6 | O=C(O)COc1cccc(C[C@@H]2CCC[C@@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL1207258 | 21590 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 453 | 8 | 1 | 4 | 6.6 | O=C(O)COc1cccc(C[C@@H]2CCC[C@@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL379203 | 21590 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 453 | 8 | 1 | 4 | 6.6 | O=C(O)COc1cccc(C[C@@H]2CCC[C@@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
9825740 | 21445 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 465 | 8 | 1 | 4 | 7.0 | O=C(O)COc1cccc(CC2=C(c3nc(-c4ccccc4)c(-c4ccccc4)o3)CCCC2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL1205678 | 21445 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 465 | 8 | 1 | 4 | 7.0 | O=C(O)COc1cccc(CC2=C(c3nc(-c4ccccc4)c(-c4ccccc4)o3)CCCC2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL132649 | 21445 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 465 | 8 | 1 | 4 | 7.0 | O=C(O)COc1cccc(CC2=C(c3nc(-c4ccccc4)c(-c4ccccc4)o3)CCCC2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
44416294 | 21656 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 454 | 8 | 1 | 5 | 5.8 | O=C(O)COc1cccc(CN2CCC[C@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL1207781 | 21656 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 454 | 8 | 1 | 5 | 5.8 | O=C(O)COc1cccc(CN2CCC[C@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL438092 | 21656 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 454 | 8 | 1 | 5 | 5.8 | O=C(O)COc1cccc(CN2CCC[C@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
10601359 | 111076 | 0 | None | -151 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 497 | 10 | 2 | 5 | 5.5 | COc1cc2c(cc1S(=O)(=O)N[C@@H]1[C@@H]3CC[C@@H](C3)[C@H]1C/C=C\CCCC(=O)O)oc1ccccc12 | 10.1021/jm970343g | ||
CHEMBL309987 | 111076 | 0 | None | -151 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 497 | 10 | 2 | 5 | 5.5 | COc1cc2c(cc1S(=O)(=O)N[C@@H]1[C@@H]3CC[C@@H](C3)[C@H]1C/C=C\CCCC(=O)O)oc1ccccc12 | 10.1021/jm970343g | ||
10028418 | 21444 | 3 | None | 19 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL1205677 | 21444 | 3 | None | 19 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL132589 | 21444 | 3 | None | 19 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
24901437 | 94835 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 425 | 7 | 2 | 4 | 4.8 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCc3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL234598 | 94835 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 425 | 7 | 2 | 4 | 4.8 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCc3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
10139047 | 19605 | 0 | None | -14 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 454 | 8 | 1 | 5 | 5.8 | O=C(O)COc1cccc(CN2CCC[C@@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL1188479 | 19605 | 0 | None | -14 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 454 | 8 | 1 | 5 | 5.8 | O=C(O)COc1cccc(CN2CCC[C@@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL439357 | 19605 | 0 | None | -14 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 454 | 8 | 1 | 5 | 5.8 | O=C(O)COc1cccc(CN2CCC[C@@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
24901446 | 161607 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 440 | 8 | 2 | 5 | 4.3 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCc3cccnc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL400405 | 161607 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 440 | 8 | 2 | 5 | 4.3 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCc3cccnc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
10813802 | 20561 | 0 | None | -91 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | 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 | -91 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | 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 | ||
24901448 | 93717 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 411 | 6 | 2 | 4 | 5.1 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)Nc3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL232330 | 93717 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 411 | 6 | 2 | 4 | 5.1 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)Nc3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
24901444 | 93979 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 483 | 9 | 3 | 5 | 4.3 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N[C@H](Cc3ccccc3)C(=O)O)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL232768 | 93979 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 483 | 9 | 3 | 5 | 4.3 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N[C@H](Cc3ccccc3)C(=O)O)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
10502610 | 170497 | 0 | None | -13 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | 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 | -13 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | 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 | ||
19358473 | 21595 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 461 | 8 | 1 | 4 | 6.7 | O=C(O)COc1cccc(Cc2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL1207287 | 21595 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 461 | 8 | 1 | 4 | 6.7 | O=C(O)COc1cccc(Cc2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL386580 | 21595 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 461 | 8 | 1 | 4 | 6.7 | O=C(O)COc1cccc(Cc2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
44377464 | 126863 | 0 | None | - | 0 | Human | 4.5 | pKi | = | 4.5 | 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 | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 306 | 4 | 1 | 1 | 4.7 | O=C(O)/C=C/c1ccccc1Cc1ccc(Cl)cc1Cl | 10.1016/s0960-894x(01)00056-7 | ||
10402929 | 64317 | 0 | None | - | 0 | Human | 4.4 | pKi | = | 4.4 | 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 | 4.4 | pKi | = | 4.4 | 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 | ||
10204312 | 10121 | 0 | None | - | 1 | Human | 8.5 | pA2 | = | 8.5 | Functional | Guide to Pharmacology | 451 | 7 | 2 | 4 | 5.3 | Fc1ccc(cc1)CC(C(=O)O)NC(=O)OCc1cc2c(o1)ccc(c2)c1ccc(cc1)F | 16331286 | ||
4042 | 10121 | 0 | None | - | 1 | Human | 8.5 | pA2 | = | 8.5 | Functional | Guide to Pharmacology | 451 | 7 | 2 | 4 | 5.3 | Fc1ccc(cc1)CC(C(=O)O)NC(=O)OCc1cc2c(o1)ccc(c2)c1ccc(cc1)F | 16331286 | ||
1969 | 7598 | 0 | None | - | 1 | Human | 8.6 | pA2 | = | 8.6 | Functional | Guide to Pharmacology | 309 | 5 | 2 | 4 | 3.4 | CC(Oc1ccc(cc1)Cc1ccc(cc1)NC1=NCCN1)C | 16331286 | ||
1969 | 7598 | 0 | None | - | 1 | Human | 8.6 | pA2 | = | 8.6 | Functional | Guide to Pharmacology | 309 | 5 | 2 | 4 | 3.4 | CC(Oc1ccc(cc1)Cc1ccc(cc1)NC1=NCCN1)C | 21549696 | ||
9839644 | 7598 | 0 | None | - | 1 | Human | 8.6 | pA2 | = | 8.6 | Functional | Guide to Pharmacology | 309 | 5 | 2 | 4 | 3.4 | CC(Oc1ccc(cc1)Cc1ccc(cc1)NC1=NCCN1)C | 16331286 | ||
9839644 | 7598 | 0 | None | - | 1 | Human | 8.6 | pA2 | = | 8.6 | Functional | Guide to Pharmacology | 309 | 5 | 2 | 4 | 3.4 | CC(Oc1ccc(cc1)Cc1ccc(cc1)NC1=NCCN1)C | 21549696 | ||
CHEMBL9540 | 7598 | 0 | None | - | 1 | Human | 8.6 | pA2 | = | 8.6 | Functional | Guide to Pharmacology | 309 | 5 | 2 | 4 | 3.4 | CC(Oc1ccc(cc1)Cc1ccc(cc1)NC1=NCCN1)C | 16331286 | ||
CHEMBL9540 | 7598 | 0 | None | - | 1 | Human | 8.6 | pA2 | = | 8.6 | Functional | Guide to Pharmacology | 309 | 5 | 2 | 4 | 3.4 | CC(Oc1ccc(cc1)Cc1ccc(cc1)NC1=NCCN1)C | 21549696 | ||
138 | 9855 | 88 | None | -16 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 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 | ||
149351 | 9855 | 88 | None | -16 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 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 | None | -16 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 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 | None | -16 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 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 | None | -16 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 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 | None | -16 | 10 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 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 | ||
138107701 | 194243 | 46 | None | -4 | 7 | Human | 8.1 | pEC50 | = | 8.1 | Functional | 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 | -4 | 7 | Human | 8.1 | pEC50 | = | 8.1 | Functional | 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 | -4 | 7 | Human | 8.1 | pEC50 | = | 8.1 | Functional | 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 | ||
DB01088 | 194243 | 46 | None | -4 | 7 | Human | 8.1 | pEC50 | = | 8.1 | Functional | 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 | ||
2720 | 10626 | 59 | None | -5 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | None | ||
5820 | 10626 | 59 | None | -5 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | None | ||
6918140 | 10626 | 59 | None | -5 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | None | ||
CHEMBL1237119 | 10626 | 59 | None | -5 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | None | ||
DB00374 | 10626 | 59 | None | -5 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | None | ||
138107701 | 194243 | 46 | None | -1 | 7 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | 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 | -1 | 7 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | 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 | -1 | 7 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | 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 | ||
DB01088 | 194243 | 46 | None | -1 | 7 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | 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 | ||
2720 | 10626 | 59 | None | -5 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | ||
2720 | 10626 | 59 | None | -5 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 33440084 | ||
5820 | 10626 | 59 | None | -5 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | ||
5820 | 10626 | 59 | None | -5 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 33440084 | ||
6918140 | 10626 | 59 | None | -5 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | ||
6918140 | 10626 | 59 | None | -5 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 33440084 | ||
CHEMBL1237119 | 10626 | 59 | None | -5 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | ||
CHEMBL1237119 | 10626 | 59 | None | -5 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 33440084 | ||
DB00374 | 10626 | 59 | None | -5 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | ||
DB00374 | 10626 | 59 | None | -5 | 5 | Human | 8.7 | pEC50 | = | 8.7 | Functional | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 33440084 | ||
11743147 | 7374 | 0 | None | - | 1 | Human | 10.0 | pIC50 | < | 10 | Functional | Guide to Pharmacology | 425 | 9 | 2 | 5 | 4.8 | OC(=O)[C@@H](Nc1ncnc(c1)c1ccc(cc1)OCc1ccccc1)Cc1ccccc1 | 18603238 | ||
5851 | 7374 | 0 | None | - | 1 | Human | 10.0 | pIC50 | < | 10 | Functional | Guide to Pharmacology | 425 | 9 | 2 | 5 | 4.8 | OC(=O)[C@@H](Nc1ncnc(c1)c1ccc(cc1)OCc1ccccc1)Cc1ccccc1 | 18603238 | ||
1883 | 9856 | 75 | None | -54 | 12 | Human | 8.2 | pIC50 | = | 8.2 | Functional | 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 | -54 | 12 | Human | 8.2 | pIC50 | = | 8.2 | Functional | 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 | -54 | 12 | Human | 8.2 | pIC50 | = | 8.2 | Functional | 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 | -54 | 12 | Human | 8.2 | pIC50 | = | 8.2 | Functional | 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 | -54 | 12 | Human | 8.2 | pIC50 | = | 8.2 | Functional | 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 | -54 | 12 | Human | 8.2 | pIC50 | = | 8.2 | Functional | 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 | ||
69658829 | 224476 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | 398 | 8 | 3 | 4 | 3.3 | CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2OC3=C(C=CC=C3CCCC(O)=O)[C@H]12 | None | ||
5853 | 8349 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | Guide to Pharmacology | 443 | 11 | 1 | 3 | 6.8 | OC(=O)CCC/C=C\C[C@@H]1[C@@H]2CC[C@H]([C@H]1/C=N/OC(c1ccccc1)c1ccccc1)C=C2 | 3026540 | ||
73755162 | 8349 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | Guide to Pharmacology | 443 | 11 | 1 | 3 | 6.8 | OC(=O)CCC/C=C\C[C@@H]1[C@@H]2CC[C@H]([C@H]1/C=N/OC(c1ccccc1)c1ccccc1)C=C2 | 3026540 | ||
127861 | 7481 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | 438 | 7 | 1 | 6 | 5.8 | OC(=O)COc1cccc(c1)c1ocnc1c1nc(c(o1)c1ccccc1)c1ccccc1 | 9156364 | ||
1963 | 7481 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | 438 | 7 | 1 | 6 | 5.8 | OC(=O)COc1cccc(c1)c1ocnc1c1nc(c(o1)c1ccccc1)c1ccccc1 | 9156364 | ||
CHEMBL125569 | 7481 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | Guide to Pharmacology | 438 | 7 | 1 | 6 | 5.8 | OC(=O)COc1cccc(c1)c1ocnc1c1nc(c(o1)c1ccccc1)c1ccccc1 | 9156364 | ||
1962 | 7093 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | 388 | 10 | 3 | 4 | 3.7 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C(F)(F)/C(=C/CCCC(=O)O)/O2)O | 9112287 | ||
5311226 | 7093 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | 388 | 10 | 3 | 4 | 3.7 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C(F)(F)/C(=C/CCCC(=O)O)/O2)O | 9112287 | ||
1968 | 10526 | 0 | None | - | 1 | Human | 6.9 | pIC50 | None | 6.9 | Functional | Guide to Pharmacology | 398 | 5 | 3 | 4 | 4.0 | O[C@@H]1C[C@H]2[C@@H]([C@H]1/C=C/[C@H](C1CCCCC1)O)C/C(=C/c1cccc(c1)C(=O)O)/O2 | 9156364 | ||
5311243 | 10526 | 0 | None | - | 1 | Human | 6.9 | pIC50 | None | 6.9 | Functional | Guide to Pharmacology | 398 | 5 | 3 | 4 | 4.0 | O[C@@H]1C[C@H]2[C@@H]([C@H]1/C=C/[C@H](C1CCCCC1)O)C/C(=C/c1cccc(c1)C(=O)O)/O2 | 9156364 | ||
CHEMBL2104890 | 10526 | 0 | None | - | 1 | Human | 6.9 | pIC50 | None | 6.9 | Functional | Guide to Pharmacology | 398 | 5 | 3 | 4 | 4.0 | O[C@@H]1C[C@H]2[C@@H]([C@H]1/C=C/[C@H](C1CCCCC1)O)C/C(=C/c1cccc(c1)C(=O)O)/O2 | 9156364 | ||
1965 | 10546 | 0 | None | - | 1 | Human | 8.5 | pIC50 | None | 8.5 | Functional | Guide to Pharmacology | 378 | 12 | 3 | 3 | 4.7 | CCCC[C@@H](C[C@@H](/C=C/[C@H]1[C@H](O)CC2C1CC(=C2)CCCCC(=O)O)O)C | 9156364 | ||
73755022 | 10546 | 0 | None | - | 1 | Human | 8.5 | pIC50 | None | 8.5 | Functional | Guide to Pharmacology | 378 | 12 | 3 | 3 | 4.7 | CCCC[C@@H](C[C@@H](/C=C/[C@H]1[C@H](O)CC2C1CC(=C2)CCCCC(=O)O)O)C | 9156364 | ||
1987175 | 10566 | 31 | None | -1 | 5 | Human | 6.7 | pKB | = | 6.7 | Functional | Guide to Pharmacology | 491 | 7 | 3 | 7 | 3.6 | CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccc(cc1)F | 23914286 | ||
9283 | 10566 | 31 | None | -1 | 5 | Human | 6.7 | pKB | = | 6.7 | Functional | Guide to Pharmacology | 491 | 7 | 3 | 7 | 3.6 | CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccc(cc1)F | 23914286 | ||
CHEMBL1372836 | 10566 | 31 | None | -1 | 5 | Human | 6.7 | pKB | = | 6.7 | Functional | Guide to Pharmacology | 491 | 7 | 3 | 7 | 3.6 | CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccc(cc1)F | 23914286 | ||
10204312 | 10121 | 0 | None | - | 1 | Human | 9.3 | pKB | = | 9.3 | Functional | Guide to Pharmacology | 451 | 7 | 2 | 4 | 5.3 | Fc1ccc(cc1)CC(C(=O)O)NC(=O)OCc1cc2c(o1)ccc(c2)c1ccc(cc1)F | 19880449 | ||
10204312 | 10121 | 0 | None | - | 1 | Human | 9.3 | pKB | = | 9.3 | Functional | Guide to Pharmacology | 451 | 7 | 2 | 4 | 5.3 | Fc1ccc(cc1)CC(C(=O)O)NC(=O)OCc1cc2c(o1)ccc(c2)c1ccc(cc1)F | 21173040 | ||
4042 | 10121 | 0 | None | - | 1 | Human | 9.3 | pKB | = | 9.3 | Functional | Guide to Pharmacology | 451 | 7 | 2 | 4 | 5.3 | Fc1ccc(cc1)CC(C(=O)O)NC(=O)OCc1cc2c(o1)ccc(c2)c1ccc(cc1)F | 19880449 | ||
4042 | 10121 | 0 | None | - | 1 | Human | 9.3 | pKB | = | 9.3 | Functional | Guide to Pharmacology | 451 | 7 | 2 | 4 | 5.3 | Fc1ccc(cc1)CC(C(=O)O)NC(=O)OCc1cc2c(o1)ccc(c2)c1ccc(cc1)F | 21173040 |
Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
9955130 | 16277 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 444 | 9 | 2 | 4 | 5.2 | O=C(O)COc1cccc2c1CCCC2CCC(=O)NN(c1ccccc1)c1ccccc1 | 10.1016/0960-894X(95)00169-T | ||
CHEMBL11211 | 16277 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 444 | 9 | 2 | 4 | 5.2 | O=C(O)COc1cccc2c1CCCC2CCC(=O)NN(c1ccccc1)c1ccccc1 | 10.1016/0960-894X(95)00169-T | ||
138107701 | 194243 | 46 | None | -5 | 15 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 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 | 10.1016/j.bmc.2016.11.014 | ||
5311181 | 194243 | 46 | None | -5 | 15 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 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 | 10.1016/j.bmc.2016.11.014 | ||
CHEMBL494 | 194243 | 46 | None | -5 | 15 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 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 | 10.1016/j.bmc.2016.11.014 | ||
DB01088 | 194243 | 46 | None | -5 | 15 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 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 | 10.1016/j.bmc.2016.11.014 | ||
138107701 | 194243 | 46 | None | -5 | 15 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 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 | 10.1016/j.bmc.2016.03.006 | ||
5311181 | 194243 | 46 | None | -5 | 15 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 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 | 10.1016/j.bmc.2016.03.006 | ||
CHEMBL494 | 194243 | 46 | None | -5 | 15 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 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 | 10.1016/j.bmc.2016.03.006 | ||
DB01088 | 194243 | 46 | None | -5 | 15 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 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 | 10.1016/j.bmc.2016.03.006 | ||
127029421 | 146098 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 424 | 10 | 1 | 4 | 3.9 | CCCc1ccc(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2ccccc2)cc1 | 10.1016/j.bmcl.2016.03.009 | ||
CHEMBL3792615 | 146098 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 424 | 10 | 1 | 4 | 3.9 | CCCc1ccc(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2ccccc2)cc1 | 10.1016/j.bmcl.2016.03.009 | ||
86277844 | 118703 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 512 | 6 | 2 | 3 | 7.5 | CCc1ccccc1NC(=O)N1C[C@@H](C)Oc2cc(-c3ccc([C@H]4CC[C@H](CC(=O)O)CC4)cc3)ccc21 | 10.1021/ml400527n | ||
CHEMBL3287898 | 118703 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 512 | 6 | 2 | 3 | 7.5 | CCc1ccccc1NC(=O)N1C[C@@H](C)Oc2cc(-c3ccc([C@H]4CC[C@H](CC(=O)O)CC4)cc3)ccc21 | 10.1021/ml400527n | ||
44235520 | 159737 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3975122 | 159737 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
24901449 | 160377 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 349 | 5 | 2 | 4 | 3.3 | CNC(=O)c1ncoc1Cc1ccc(-c2cccc(NC(C)=O)c2)cc1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL398063 | 160377 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 349 | 5 | 2 | 4 | 3.3 | CNC(=O)c1ncoc1Cc1ccc(-c2cccc(NC(C)=O)c2)cc1 | 10.1016/j.bmcl.2006.12.025 | ||
24901439 | 93561 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 439 | 7 | 2 | 4 | 5.4 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NC(C)c3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL232156 | 93561 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 439 | 7 | 2 | 4 | 5.4 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NC(C)c3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
44432434 | 93461 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 363 | 5 | 1 | 4 | 3.6 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N(C)C)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL231709 | 93461 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 363 | 5 | 1 | 4 | 3.6 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N(C)C)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
155544367 | 180153 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 508 | 3 | 0 | 4 | 6.0 | CC[C@]12CCCN(C(=O)c3cccc(Br)c3)CCc3c(n(c4ccccc34)C(=O)C1)[C@@H]2OC | 10.1021/acs.jmedchem.9b01924 | ||
CHEMBL4527708 | 180153 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 508 | 3 | 0 | 4 | 6.0 | CC[C@]12CCCN(C(=O)c3cccc(Br)c3)CCc3c(n(c4ccccc34)C(=O)C1)[C@@H]2OC | 10.1021/acs.jmedchem.9b01924 | ||
58602756 | 146209 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 466 | 8 | 1 | 5 | 4.3 | O=C(O)COc1cccc2c1OCCN2CCN(C(=O)c1ccccc1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2016.03.009 | ||
CHEMBL3793903 | 146209 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 466 | 8 | 1 | 5 | 4.3 | O=C(O)COc1cccc2c1OCCN2CCN(C(=O)c1ccccc1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2016.03.009 | ||
138107701 | 194243 | 46 | None | -5 | 15 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 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 | 10.1016/j.bmc.2013.03.016 | ||
5311181 | 194243 | 46 | None | -5 | 15 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 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 | 10.1016/j.bmc.2013.03.016 | ||
CHEMBL494 | 194243 | 46 | None | -5 | 15 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 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 | 10.1016/j.bmc.2013.03.016 | ||
DB01088 | 194243 | 46 | None | -5 | 15 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 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 | 10.1016/j.bmc.2013.03.016 | ||
127029417 | 146213 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 396 | 8 | 1 | 4 | 3.2 | Cc1ccc(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2ccccc2)cc1 | 10.1016/j.bmcl.2016.03.009 | ||
CHEMBL3793911 | 146213 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 396 | 8 | 1 | 4 | 3.2 | Cc1ccc(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2ccccc2)cc1 | 10.1016/j.bmcl.2016.03.009 | ||
138 | 9855 | 88 | None | -165 | 18 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 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 | 10.1016/0960-894X(95)00168-S | ||
149351 | 9855 | 88 | None | -165 | 18 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 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 | 10.1016/0960-894X(95)00168-S | ||
1882 | 9855 | 88 | None | -165 | 18 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 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 | 10.1016/0960-894X(95)00168-S | ||
5280723 | 9855 | 88 | None | -165 | 18 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 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 | 10.1016/0960-894X(95)00168-S | ||
CHEMBL495 | 9855 | 88 | None | -165 | 18 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 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 | 10.1016/0960-894X(95)00168-S | ||
DB00770 | 9855 | 88 | None | -165 | 18 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 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 | 10.1016/0960-894X(95)00168-S | ||
44235522 | 149298 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(Cl)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3890685 | 149298 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(Cl)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
11296282 | 8191 | 32 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 590 | 6 | 1 | 5 | 7.3 | Clc1ccc(c(c1)Cl)Cn1cc(c2c1c(/C=C/C(=O)NS(=O)(=O)c1sc(c(c1)Cl)Cl)cc(c2)F)C | 10.1021/jm9005912 | ||
5822 | 8191 | 32 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 590 | 6 | 1 | 5 | 7.3 | Clc1ccc(c(c1)Cl)Cn1cc(c2c1c(/C=C/C(=O)NS(=O)(=O)c1sc(c(c1)Cl)Cl)cc(c2)F)C | 10.1021/jm9005912 | ||
CHEMBL565591 | 8191 | 32 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 590 | 6 | 1 | 5 | 7.3 | Clc1ccc(c(c1)Cl)Cn1cc(c2c1c(/C=C/C(=O)NS(=O)(=O)c1sc(c(c1)Cl)Cl)cc(c2)F)C | 10.1021/jm9005912 | ||
9847589 | 103985 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 471 | 11 | 1 | 4 | 6.6 | CCC/C(CC1CCc2c(cccc2OCC(=O)O)C1)=N\OC(c1ccccc1)c1ccccc1 | 10.1016/0960-894X(95)00168-S | ||
CHEMBL268477 | 103985 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 471 | 11 | 1 | 4 | 6.6 | CCC/C(CC1CCc2c(cccc2OCC(=O)O)C1)=N\OC(c1ccccc1)c1ccccc1 | 10.1016/0960-894X(95)00168-S | ||
10095633 | 169010 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 457 | 10 | 1 | 4 | 6.2 | CC/C(CC1CCc2c(cccc2OCC(=O)O)C1)=N\OC(c1ccccc1)c1ccccc1 | 10.1016/0960-894X(95)00168-S | ||
CHEMBL416334 | 169010 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 457 | 10 | 1 | 4 | 6.2 | CC/C(CC1CCc2c(cccc2OCC(=O)O)C1)=N\OC(c1ccccc1)c1ccccc1 | 10.1016/0960-894X(95)00168-S | ||
131814 | 19165 | 11 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 452 | 12 | 1 | 3 | 7.7 | O=C(O)CCCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 | 10.1021/jm00080a028 | ||
CHEMBL118567 | 19165 | 11 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 452 | 12 | 1 | 3 | 7.7 | O=C(O)CCCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 | 10.1021/jm00080a028 | ||
10090048 | 176195 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 362 | 10 | 1 | 3 | 5.6 | O=C(O)CCCCCCCn1ncc(-c2ccccc2)c1-c1ccccc1 | 10.1021/jm00080a028 | ||
CHEMBL442405 | 176195 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 362 | 10 | 1 | 3 | 5.6 | O=C(O)CCCCCCCn1ncc(-c2ccccc2)c1-c1ccccc1 | 10.1021/jm00080a028 | ||
44219292 | 152866 | 38 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3919269 | 152866 | 38 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
138107701 | 194243 | 46 | None | -5 | 15 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 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 | 10.1021/jm8007618 | ||
5311181 | 194243 | 46 | None | -5 | 15 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 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 | 10.1021/jm8007618 | ||
CHEMBL494 | 194243 | 46 | None | -5 | 15 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 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 | 10.1021/jm8007618 | ||
DB01088 | 194243 | 46 | None | -5 | 15 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 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 | 10.1021/jm8007618 | ||
44234032 | 154703 | 0 | None | 7 | 6 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3933704 | 154703 | 0 | None | 7 | 6 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
15236833 | 17791 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 466 | 9 | 1 | 4 | 6.0 | O=C(O)COc1cccc2c1CCCC2CCn1cc(C(c2ccccc2)c2ccccc2)cn1 | 10.1016/0960-894X(95)00170-X | ||
CHEMBL11746 | 17791 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 466 | 9 | 1 | 4 | 6.0 | O=C(O)COc1cccc2c1CCCC2CCn1cc(C(c2ccccc2)c2ccccc2)cn1 | 10.1016/0960-894X(95)00170-X | ||
44157014 | 199396 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 518 | 6 | 1 | 5 | 5.9 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c2c(Oc3ccc4ccccc4c3)cccc21 | 10.1016/j.bmcl.2008.12.112 | ||
CHEMBL521609 | 199396 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 518 | 6 | 1 | 5 | 5.9 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c2c(Oc3ccc4ccccc4c3)cccc21 | 10.1016/j.bmcl.2008.12.112 | ||
44235755 | 160487 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3981509 | 160487 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
118727303 | 124196 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(F)c3)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398224 | 124196 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(F)c3)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
23355418 | 13473 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 430 | 8 | 2 | 4 | 4.5 | O=C(O)COc1cccc2c1CCC(CC(=O)NN(c1ccccc1)c1ccccc1)C2 | 10.1016/0960-894X(95)00169-T | ||
CHEMBL10836 | 13473 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 430 | 8 | 2 | 4 | 4.5 | O=C(O)COc1cccc2c1CCC(CC(=O)NN(c1ccccc1)c1ccccc1)C2 | 10.1016/0960-894X(95)00169-T | ||
44267380 | 16752 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 464 | 9 | 1 | 4 | 5.9 | O=C(O)COc1cccc2c1CCC=C2CCn1cc(C(c2ccccc2)c2ccccc2)cn1 | 10.1016/0960-894X(95)00170-X | ||
CHEMBL11480 | 16752 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 464 | 9 | 1 | 4 | 5.9 | O=C(O)COc1cccc2c1CCC=C2CCn1cc(C(c2ccccc2)c2ccccc2)cn1 | 10.1016/0960-894X(95)00170-X | ||
127028521 | 146250 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 423 | 9 | 1 | 3 | 5.1 | O=C(O)COc1ccc(CCCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2016.03.009 | ||
CHEMBL3794245 | 146250 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 423 | 9 | 1 | 3 | 5.1 | O=C(O)COc1ccc(CCCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2016.03.009 | ||
9823958 | 16444 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 429 | 9 | 1 | 4 | 5.4 | O=C(O)COc1cccc2c1CCCC2CCON=C(c1ccccc1)c1ccccc1 | 10.1016/0960-894X(95)00169-T | ||
CHEMBL11291 | 16444 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 429 | 9 | 1 | 4 | 5.4 | O=C(O)COc1cccc2c1CCCC2CCON=C(c1ccccc1)c1ccccc1 | 10.1016/0960-894X(95)00169-T | ||
44267033 | 13316 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 485 | 12 | 1 | 4 | 7.3 | CCC/C(CCC1CCCc2c(OCC(=O)O)cccc21)=N\OC(c1ccccc1)c1ccccc1 | 10.1016/0960-894X(95)00168-S | ||
CHEMBL10829 | 13316 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 485 | 12 | 1 | 4 | 7.3 | CCC/C(CCC1CCCc2c(OCC(=O)O)cccc21)=N\OC(c1ccccc1)c1ccccc1 | 10.1016/0960-894X(95)00168-S | ||
44235044 | 149641 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 427 | 9 | 1 | 5 | 4.9 | COc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3893346 | 149641 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 427 | 9 | 1 | 5 | 4.9 | COc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 | 10.1021/acs.jmedchem.6b00871 | ||
118727306 | 124199 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3F)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398227 | 124199 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3F)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
44267032 | 103937 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 443 | 9 | 1 | 4 | 5.8 | C/C(C[C@H]1CCc2c(cccc2OCC(=O)O)C1)=N\OC(c1ccccc1)c1ccccc1 | 10.1016/0960-894X(95)00168-S | ||
CHEMBL268051 | 103937 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 443 | 9 | 1 | 4 | 5.8 | C/C(C[C@H]1CCc2c(cccc2OCC(=O)O)C1)=N\OC(c1ccccc1)c1ccccc1 | 10.1016/0960-894X(95)00168-S | ||
44267058 | 169998 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 443 | 9 | 1 | 4 | 5.8 | C/C(C[C@@H]1CCc2c(cccc2OCC(=O)O)C1)=N\OC(c1ccccc1)c1ccccc1 | 10.1016/0960-894X(95)00168-S | ||
CHEMBL418338 | 169998 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 443 | 9 | 1 | 4 | 5.8 | C/C(C[C@@H]1CCc2c(cccc2OCC(=O)O)C1)=N\OC(c1ccccc1)c1ccccc1 | 10.1016/0960-894X(95)00168-S | ||
44235521 | 153734 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)c(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3926078 | 153734 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 449 | 8 | 1 | 4 | 5.7 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)c(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
44234782 | 154050 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 427 | 9 | 1 | 5 | 4.9 | COc1cccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3928729 | 154050 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 427 | 9 | 1 | 5 | 4.9 | COc1cccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1 | 10.1021/acs.jmedchem.6b00871 | ||
118727311 | 124204 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3)c(-c3ccc(F)cc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398232 | 124204 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 484 | 7 | 1 | 5 | 5.0 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3)c(-c3ccc(F)cc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
127029147 | 146288 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 402 | 8 | 1 | 4 | 3.2 | O=C(O)COC1CCN(CCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2016.03.009 | ||
CHEMBL3793541 | 146288 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 402 | 8 | 1 | 4 | 3.2 | O=C(O)COC1CCN(CCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2016.03.009 | ||
CHEMBL3794662 | 146288 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 402 | 8 | 1 | 4 | 3.2 | O=C(O)COC1CCN(CCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2016.03.009 | ||
44266708 | 11554 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 320 | 12 | 2 | 3 | 4.0 | CCCCCC(O)/C=C/CCCc1cccc(OCC(=O)O)c1 | 10.1016/0960-894X(95)00167-R | ||
CHEMBL10404 | 11554 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 320 | 12 | 2 | 3 | 4.0 | CCCCCC(O)/C=C/CCCc1cccc(OCC(=O)O)c1 | 10.1016/0960-894X(95)00167-R | ||
44267244 | 169482 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 415 | 8 | 1 | 4 | 4.7 | O=C(O)COc1cccc2c1CCC(CON=C(c1ccccc1)c1ccccc1)C2 | 10.1016/0960-894X(95)00169-T | ||
CHEMBL417069 | 169482 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 415 | 8 | 1 | 4 | 4.7 | O=C(O)COc1cccc2c1CCC(CON=C(c1ccccc1)c1ccccc1)C2 | 10.1016/0960-894X(95)00169-T | ||
44234532 | 157004 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 397 | 8 | 1 | 4 | 4.9 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3952237 | 157004 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 397 | 8 | 1 | 4 | 4.9 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
1892 | 7534 | 20 | None | -104 | 9 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 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 | 10.1021/jm401431x | ||
25886893 | 7534 | 20 | None | -104 | 9 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 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 | 10.1021/jm401431x | ||
CHEMBL1628262 | 7534 | 20 | None | -104 | 9 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 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 | 10.1021/jm401431x | ||
1883 | 9856 | 75 | None | -10000 | 24 | Human | 6.6 | pIC50 | = | 6.6 | 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 | 10.1021/jm401431x | ||
1916 | 9856 | 75 | None | -10000 | 24 | Human | 6.6 | pIC50 | = | 6.6 | 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 | 10.1021/jm401431x | ||
5280360 | 9856 | 75 | None | -10000 | 24 | Human | 6.6 | pIC50 | = | 6.6 | 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 | 10.1021/jm401431x | ||
913 | 9856 | 75 | None | -10000 | 24 | Human | 6.6 | pIC50 | = | 6.6 | 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 | 10.1021/jm401431x | ||
CHEMBL548 | 9856 | 75 | None | -10000 | 24 | Human | 6.6 | pIC50 | = | 6.6 | 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 | 10.1021/jm401431x | ||
DB00917 | 9856 | 75 | None | -10000 | 24 | Human | 6.6 | pIC50 | = | 6.6 | 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 | 10.1021/jm401431x | ||
138107701 | 194243 | 46 | None | -5 | 15 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 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 | 10.1016/0960-894X(95)00168-S | ||
5311181 | 194243 | 46 | None | -5 | 15 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 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 | 10.1016/0960-894X(95)00168-S | ||
CHEMBL494 | 194243 | 46 | None | -5 | 15 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 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 | 10.1016/0960-894X(95)00168-S | ||
DB01088 | 194243 | 46 | None | -5 | 15 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 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 | 10.1016/0960-894X(95)00168-S | ||
138107701 | 194243 | 46 | None | -5 | 15 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 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 | 10.1016/0960-894X(95)00167-R | ||
5311181 | 194243 | 46 | None | -5 | 15 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 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 | 10.1016/0960-894X(95)00167-R | ||
CHEMBL494 | 194243 | 46 | None | -5 | 15 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 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 | 10.1016/0960-894X(95)00167-R | ||
DB01088 | 194243 | 46 | None | -5 | 15 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 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 | 10.1016/0960-894X(95)00167-R | ||
5852 | 9395 | 55 | None | 10 | 4 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.6b00871 | ||
9931891 | 9395 | 55 | None | 10 | 4 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL239226 | 9395 | 55 | None | 10 | 4 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.6b00871 | ||
118727316 | 124209 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 427 | 9 | 1 | 4 | 5.3 | O=C(O)COc1cccc2c1CCC=C2CCON=C(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398237 | 124209 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 427 | 9 | 1 | 4 | 5.3 | O=C(O)COc1cccc2c1CCC=C2CCON=C(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2015.01.024 | ||
44232565 | 160751 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3983767 | 160751 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 433 | 8 | 1 | 4 | 5.1 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
10477568 | 11650 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 426 | 9 | 1 | 2 | 6.4 | O=C(O)COc1cccc2c1CCC(C/C=C\CC(c1ccccc1)c1ccccc1)C2 | 10.1016/0960-894X(95)00167-R | ||
CHEMBL10442 | 11650 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 426 | 9 | 1 | 2 | 6.4 | O=C(O)COc1cccc2c1CCC(C/C=C\CC(c1ccccc1)c1ccccc1)C2 | 10.1016/0960-894X(95)00167-R | ||
10477567 | 13968 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 426 | 9 | 1 | 2 | 6.4 | O=C(O)COc1cccc2c1CCC(C/C=C/CC(c1ccccc1)c1ccccc1)C2 | 10.1016/0960-894X(95)00167-R | ||
CHEMBL10856 | 13968 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 426 | 9 | 1 | 2 | 6.4 | O=C(O)COc1cccc2c1CCC(C/C=C/CC(c1ccccc1)c1ccccc1)C2 | 10.1016/0960-894X(95)00167-R | ||
127028838 | 146267 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 413 | 7 | 1 | 3 | 5.0 | O=C(O)COC1CCC(=CCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2016.03.009 | ||
CHEMBL3794451 | 146267 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 413 | 7 | 1 | 3 | 5.0 | O=C(O)COC1CCC(=CCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2016.03.009 | ||
127029416 | 146199 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 382 | 8 | 1 | 4 | 2.9 | O=C(O)COC1CCN(CCN(C(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2016.03.009 | ||
CHEMBL3793824 | 146199 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 382 | 8 | 1 | 4 | 2.9 | O=C(O)COC1CCN(CCN(C(=O)c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2016.03.009 | ||
118727301 | 124194 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 466 | 7 | 1 | 5 | 4.8 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398222 | 124194 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 466 | 7 | 1 | 5 | 4.8 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3ccccc3)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
118727312 | 124205 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 496 | 8 | 1 | 6 | 4.9 | COc1ccc(-c2c(-c3ccccc3)cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c2=O)cc1 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398233 | 124205 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 496 | 8 | 1 | 6 | 4.9 | COc1ccc(-c2c(-c3ccccc3)cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c2=O)cc1 | 10.1016/j.bmcl.2015.01.024 | ||
44159772 | 75167 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | 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 | 4.5 | pIC50 | = | 4.5 | 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 | ||
24901441 | 152875 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 451 | 7 | 2 | 4 | 5.2 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N[C@H]3C[C@@H]3c3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL391933 | 152875 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 451 | 7 | 2 | 4 | 5.2 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N[C@H]3C[C@@H]3c3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
24901451 | 161214 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 406 | 8 | 2 | 5 | 3.2 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCN(C)C)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL399000 | 161214 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 406 | 8 | 2 | 5 | 3.2 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCN(C)C)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
24901448 | 93717 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 411 | 6 | 2 | 4 | 5.1 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)Nc3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL232330 | 93717 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 411 | 6 | 2 | 4 | 5.1 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)Nc3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
10090958 | 17421 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 376 | 11 | 1 | 3 | 6.0 | O=C(O)CCCCCCCCn1cc(-c2ccccc2)c(-c2ccccc2)n1 | 10.1021/jm00080a028 | ||
CHEMBL117038 | 17421 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 376 | 11 | 1 | 3 | 6.0 | O=C(O)CCCCCCCCn1cc(-c2ccccc2)c(-c2ccccc2)n1 | 10.1021/jm00080a028 | ||
5311035 | 104579 | 29 | None | -91 | 9 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 408 | 13 | 2 | 5 | 4.3 | CCCC1([C@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 | 10.1021/jm401431x | ||
CHEMBL271896 | 104579 | 29 | None | -91 | 9 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 408 | 13 | 2 | 5 | 4.3 | CCCC1([C@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 | 10.1021/jm401431x | ||
44219292 | 119359 | 38 | None | 25 | 7 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3301604 | 119359 | 38 | None | 25 | 7 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3919269 | 119359 | 38 | None | 25 | 7 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
DB12462 | 119359 | 38 | None | 25 | 7 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
15290482 | 16054 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 443 | 9 | 1 | 4 | 5.8 | C/C(CC1CCc2c(cccc2OCC(=O)O)C1)=N\OC(c1ccccc1)c1ccccc1 | 10.1016/0960-894X(95)00168-S | ||
CHEMBL11088 | 16054 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 443 | 9 | 1 | 4 | 5.8 | C/C(CC1CCc2c(cccc2OCC(=O)O)C1)=N\OC(c1ccccc1)c1ccccc1 | 10.1016/0960-894X(95)00168-S | ||
44235519 | 154984 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 411 | 8 | 1 | 4 | 5.2 | Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3935924 | 154984 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 411 | 8 | 1 | 4 | 5.2 | Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)cc1 | 10.1021/acs.jmedchem.6b00871 | ||
15428700 | 11354 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 403 | 11 | 1 | 4 | 5.3 | O=C(O)COc1cccc(CCC/C=N/OC(c2ccccc2)c2ccccc2)c1 | 10.1016/0960-894X(95)00167-R | ||
CHEMBL10261 | 11354 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 403 | 11 | 1 | 4 | 5.3 | O=C(O)COc1cccc(CCC/C=N/OC(c2ccccc2)c2ccccc2)c1 | 10.1016/0960-894X(95)00167-R | ||
9955518 | 17815 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 452 | 8 | 1 | 4 | 5.3 | O=C(O)COc1cccc2c1CCC(Cn1cc(C(c3ccccc3)c3ccccc3)cn1)C2 | 10.1016/0960-894X(95)00170-X | ||
CHEMBL11765 | 17815 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 452 | 8 | 1 | 4 | 5.3 | O=C(O)COc1cccc2c1CCC(Cn1cc(C(c3ccccc3)c3ccccc3)cn1)C2 | 10.1016/0960-894X(95)00170-X | ||
44565193 | 183639 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 520 | 6 | 1 | 5 | 5.6 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c2c(Oc3ccc(F)c(Cl)c3)cccc21 | 10.1016/j.bmcl.2008.12.112 | ||
CHEMBL461390 | 183639 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 520 | 6 | 1 | 5 | 5.6 | Cn1cc(/C=C/C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c2c(Oc3ccc(F)c(Cl)c3)cccc21 | 10.1016/j.bmcl.2008.12.112 | ||
44267245 | 16906 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 444 | 11 | 1 | 3 | 6.5 | O=C(O)COc1cccc2c1CCCC2CCCCOC(c1ccccc1)c1ccccc1 | 10.1016/0960-894X(95)00169-T | ||
CHEMBL11571 | 16906 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 444 | 11 | 1 | 3 | 6.5 | O=C(O)COc1cccc2c1CCCC2CCCCOC(c1ccccc1)c1ccccc1 | 10.1016/0960-894X(95)00169-T | ||
24901444 | 93979 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 483 | 9 | 3 | 5 | 4.3 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N[C@H](Cc3ccccc3)C(=O)O)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL232768 | 93979 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 483 | 9 | 3 | 5 | 4.3 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N[C@H](Cc3ccccc3)C(=O)O)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
44236221 | 154497 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 445 | 9 | 1 | 5 | 5.0 | COc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)cc1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3932106 | 154497 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 445 | 9 | 1 | 5 | 5.0 | COc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2cccc(F)c2)cc1 | 10.1021/acs.jmedchem.6b00871 | ||
127029420 | 146151 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 410 | 9 | 1 | 4 | 3.5 | CCc1ccc(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2ccccc2)cc1 | 10.1016/j.bmcl.2016.03.009 | ||
CHEMBL3793117 | 146151 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 410 | 9 | 1 | 4 | 3.5 | CCc1ccc(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2ccccc2)cc1 | 10.1016/j.bmcl.2016.03.009 | ||
127028839 | 146165 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 416 | 8 | 1 | 4 | 3.6 | O=C(O)COC1CCN(CCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2016.03.009 | ||
CHEMBL3793265 | 146165 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 416 | 8 | 1 | 4 | 3.6 | O=C(O)COC1CCN(CCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2016.03.009 | ||
44267196 | 103783 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 430 | 10 | 1 | 3 | 6.2 | O=C(O)COc1cccc2c1CCCC2CCCOC(c1ccccc1)c1ccccc1 | 10.1016/0960-894X(95)00169-T | ||
CHEMBL266622 | 103783 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 430 | 10 | 1 | 3 | 6.2 | O=C(O)COc1cccc2c1CCCC2CCCOC(c1ccccc1)c1ccccc1 | 10.1016/0960-894X(95)00169-T | ||
24901447 | 94074 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 440 | 8 | 2 | 5 | 4.3 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCc3ccncc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL233170 | 94074 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 440 | 8 | 2 | 5 | 4.3 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCc3ccncc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
16664733 | 161606 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 483 | 9 | 3 | 5 | 4.3 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL400404 | 161606 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 483 | 9 | 3 | 5 | 4.3 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N[C@@H](Cc3ccccc3)C(=O)O)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
44266736 | 11889 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 366 | 8 | 2 | 3 | 3.8 | O=C(O)COc1cccc2c1CCC(C/C=C/C(O)Cc1ccccc1)C2 | 10.1016/0960-894X(95)00167-R | ||
CHEMBL10564 | 11889 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 366 | 8 | 2 | 3 | 3.8 | O=C(O)COc1cccc2c1CCC(C/C=C/C(O)Cc1ccccc1)C2 | 10.1016/0960-894X(95)00167-R | ||
24901446 | 161607 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 440 | 8 | 2 | 5 | 4.3 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCc3cccnc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL400405 | 161607 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 440 | 8 | 2 | 5 | 4.3 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCc3cccnc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
24901442 | 93815 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 453 | 8 | 2 | 4 | 5.4 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NC[C@H](C)c3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL232578 | 93815 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 453 | 8 | 2 | 4 | 5.4 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NC[C@H](C)c3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
15290515 | 13904 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 367 | 8 | 1 | 4 | 4.2 | C/C(CC1CCc2c(cccc2OCC(=O)O)C1)=N\OCc1ccccc1 | 10.1016/0960-894X(95)00168-S | ||
CHEMBL10853 | 13904 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 367 | 8 | 1 | 4 | 4.2 | C/C(CC1CCc2c(cccc2OCC(=O)O)C1)=N\OCc1ccccc1 | 10.1016/0960-894X(95)00168-S | ||
44266758 | 105186 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 350 | 8 | 1 | 2 | 4.8 | O=C(O)COc1cccc2c1CCC(C/C=C/CCc1ccccc1)C2 | 10.1016/0960-894X(95)00167-R | ||
CHEMBL275493 | 105186 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 350 | 8 | 1 | 2 | 4.8 | O=C(O)COc1cccc2c1CCC(C/C=C/CCc1ccccc1)C2 | 10.1016/0960-894X(95)00167-R | ||
44234532 | 150447 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 397 | 8 | 1 | 4 | 4.9 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3900038 | 150447 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 397 | 8 | 1 | 4 | 4.9 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
44235291 | 158710 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3966307 | 158710 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(Cl)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
24901437 | 94835 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 4.8 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCc3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL234598 | 94835 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 4.8 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCc3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
44159530 | 75159 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | 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 | 4.3 | pIC50 | = | 4.3 | 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 | ||
11462174 | 10592 | 90 | None | - | 2 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 348 | 4 | 1 | 3 | 4.3 | Fc1ccc2c(c1)c(Cc1ccc3c(n1)cccc3)c(n2CC(=O)O)C | 10.1016/j.bmcl.2009.06.085 | ||
9277 | 10592 | 90 | None | - | 2 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 348 | 4 | 1 | 3 | 4.3 | Fc1ccc2c(c1)c(Cc1ccc3c(n1)cccc3)c(n2CC(=O)O)C | 10.1016/j.bmcl.2009.06.085 | ||
CHEMBL560993 | 10592 | 90 | None | - | 2 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 348 | 4 | 1 | 3 | 4.3 | Fc1ccc2c(c1)c(Cc1ccc3c(n1)cccc3)c(n2CC(=O)O)C | 10.1016/j.bmcl.2009.06.085 | ||
DB11900 | 10592 | 90 | None | - | 2 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 348 | 4 | 1 | 3 | 4.3 | Fc1ccc2c(c1)c(Cc1ccc3c(n1)cccc3)c(n2CC(=O)O)C | 10.1016/j.bmcl.2009.06.085 | ||
44627395 | 203651 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 563 | 7 | 1 | 7 | 5.6 | O=C(COc1cccc2ncn(Cc3ccc(Cl)cc3Cl)c12)NS(=O)(=O)c1cc(Cl)c(Cl)s1 | 10.1021/jm9005912 | ||
CHEMBL565992 | 203651 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 563 | 7 | 1 | 7 | 5.6 | O=C(COc1cccc2ncn(Cc3ccc(Cl)cc3Cl)c12)NS(=O)(=O)c1cc(Cl)c(Cl)s1 | 10.1021/jm9005912 | ||
44266768 | 11704 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 443 | 10 | 1 | 4 | 6.1 | O=C(O)COc1cccc2c1CCCC2CC/C=N/OC(c1ccccc1)c1ccccc1 | 10.1016/0960-894X(95)00168-S | ||
CHEMBL10470 | 11704 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 443 | 10 | 1 | 4 | 6.1 | O=C(O)COc1cccc2c1CCCC2CC/C=N/OC(c1ccccc1)c1ccccc1 | 10.1016/0960-894X(95)00168-S | ||
44266768 | 11704 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 443 | 10 | 1 | 4 | 6.1 | O=C(O)COc1cccc2c1CCCC2CC/C=N/OC(c1ccccc1)c1ccccc1 | 10.1016/0960-894X(95)00167-R | ||
CHEMBL10470 | 11704 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 443 | 10 | 1 | 4 | 6.1 | O=C(O)COc1cccc2c1CCCC2CC/C=N/OC(c1ccccc1)c1ccccc1 | 10.1016/0960-894X(95)00167-R | ||
5077 | 10351 | 79 | None | -8 | 4 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.6b00871 | ||
7552 | 10351 | 79 | None | -8 | 4 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.6b00871 | ||
9913767 | 10351 | 79 | None | -8 | 4 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL238804 | 10351 | 79 | None | -8 | 4 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.6b00871 | ||
DB11362 | 10351 | 79 | None | -8 | 4 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.6b00871 | ||
118727314 | 124207 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 520 | 7 | 1 | 5 | 5.3 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(F)c3F)c(-c3ccc(F)cc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398235 | 124207 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 520 | 7 | 1 | 5 | 5.3 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(F)c3F)c(-c3ccc(F)cc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
118727315 | 124208 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 520 | 7 | 1 | 5 | 5.3 | O=C(O)COc1cccc2c1CC[C@@H](Cn1ncc(-c3cccc(F)c3F)c(-c3ccc(F)cc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398236 | 124208 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 520 | 7 | 1 | 5 | 5.3 | O=C(O)COc1cccc2c1CC[C@@H](Cn1ncc(-c3cccc(F)c3F)c(-c3ccc(F)cc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
44190762 | 183659 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | 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 | 5.2 | pIC50 | = | 5.2 | 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 | ||
118727308 | 124201 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1cccc(-c2cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)c2-c2ccccc2)c1F | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398229 | 124201 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 514 | 8 | 1 | 6 | 5.0 | COc1cccc(-c2cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c(=O)c2-c2ccccc2)c1F | 10.1016/j.bmcl.2015.01.024 | ||
5077 | 10351 | 79 | None | -8 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.0c01093 | ||
7552 | 10351 | 79 | None | -8 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.0c01093 | ||
9913767 | 10351 | 79 | None | -8 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.0c01093 | ||
CHEMBL238804 | 10351 | 79 | None | -8 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.0c01093 | ||
DB11362 | 10351 | 79 | None | -8 | 4 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 10.1021/acs.jmedchem.0c01093 | ||
10320441 | 12220 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 429 | 9 | 1 | 4 | 5.4 | O=C(O)COc1cccc2c1CCC(C/C=N/OC(c1ccccc1)c1ccccc1)C2 | 10.1016/0960-894X(95)00168-S | ||
CHEMBL10742 | 12220 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 429 | 9 | 1 | 4 | 5.4 | O=C(O)COc1cccc2c1CCC(C/C=N/OC(c1ccccc1)c1ccccc1)C2 | 10.1016/0960-894X(95)00168-S | ||
10320441 | 12220 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 429 | 9 | 1 | 4 | 5.4 | O=C(O)COc1cccc2c1CCC(C/C=N/OC(c1ccccc1)c1ccccc1)C2 | 10.1016/0960-894X(95)00167-R | ||
CHEMBL10742 | 12220 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 429 | 9 | 1 | 4 | 5.4 | O=C(O)COc1cccc2c1CCC(C/C=N/OC(c1ccccc1)c1ccccc1)C2 | 10.1016/0960-894X(95)00167-R | ||
10452166 | 25741 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 376 | 11 | 1 | 3 | 6.0 | O=C(O)CCCCCCCCn1ncc(-c2ccccc2)c1-c1ccccc1 | 10.1021/jm00080a028 | ||
CHEMBL128747 | 25741 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 376 | 11 | 1 | 3 | 6.0 | O=C(O)CCCCCCCCn1ncc(-c2ccccc2)c1-c1ccccc1 | 10.1021/jm00080a028 | ||
24901440 | 93764 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 453 | 8 | 1 | 4 | 5.2 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N(C)CCc3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL232362 | 93764 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 453 | 8 | 1 | 4 | 5.2 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N(C)CCc3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
24901438 | 93476 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 439 | 8 | 2 | 4 | 4.9 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCc3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL231746 | 93476 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 439 | 8 | 2 | 4 | 4.9 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCc3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
127028837 | 146170 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 409 | 8 | 1 | 3 | 4.7 | O=C(O)COc1ccc(CCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2016.03.009 | ||
CHEMBL3793336 | 146170 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 409 | 8 | 1 | 3 | 4.7 | O=C(O)COc1ccc(CCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2016.03.009 | ||
24901445 | 94021 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 440 | 8 | 2 | 5 | 4.3 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCc3ccccn3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL232964 | 94021 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 440 | 8 | 2 | 5 | 4.3 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCCc3ccccn3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
24901436 | 94787 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 453 | 8 | 2 | 4 | 5.4 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCC(C)c3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL234391 | 94787 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 453 | 8 | 2 | 4 | 5.4 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NCC(C)c3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
44266710 | 12217 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 346 | 10 | 2 | 3 | 4.1 | CCCCCC(O)/C=C/CC1CCc2c(cccc2OCC(=O)O)C1 | 10.1016/0960-894X(95)00167-R | ||
CHEMBL10740 | 12217 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 346 | 10 | 2 | 3 | 4.1 | CCCCCC(O)/C=C/CC1CCc2c(cccc2OCC(=O)O)C1 | 10.1016/0960-894X(95)00167-R | ||
10321522 | 174410 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 450 | 8 | 1 | 4 | 5.6 | O=C(O)COc1cccc2c1CCC(Cn1cc(C(c3ccccc3)c3ccccc3)cn1)=C2 | 10.1016/0960-894X(95)00170-X | ||
CHEMBL430154 | 174410 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 450 | 8 | 1 | 4 | 5.6 | O=C(O)COc1cccc2c1CCC(Cn1cc(C(c3ccccc3)c3ccccc3)cn1)=C2 | 10.1016/0960-894X(95)00170-X | ||
138107701 | 194243 | 46 | None | -5 | 15 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 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 | 10.1016/j.ejmech.2013.01.044 | ||
5311181 | 194243 | 46 | None | -5 | 15 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 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 | 10.1016/j.ejmech.2013.01.044 | ||
CHEMBL494 | 194243 | 46 | None | -5 | 15 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 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 | 10.1016/j.ejmech.2013.01.044 | ||
DB01088 | 194243 | 46 | None | -5 | 15 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 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 | 10.1016/j.ejmech.2013.01.044 | ||
15290495 | 105013 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 416 | 9 | 1 | 3 | 5.5 | O=C(O)COc1cccc2c1CCC(CCOC(c1ccccc1)c1ccccc1)C2 | 10.1016/0960-894X(95)00169-T | ||
CHEMBL274393 | 105013 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 416 | 9 | 1 | 3 | 5.5 | O=C(O)COc1cccc2c1CCC(CCOC(c1ccccc1)c1ccccc1)C2 | 10.1016/0960-894X(95)00169-T | ||
9934864 | 214325 | 12 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 480 | 8 | 1 | 5 | 4.7 | O=C(O)COc1cccc2c1CC[C@H](Cn1nc(C(c3ccccc3)c3ccccc3)ccc1=O)C2 | 10.1016/j.ejmech.2016.07.061 | ||
CHEMBL94751 | 214325 | 12 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 480 | 8 | 1 | 5 | 4.7 | O=C(O)COc1cccc2c1CC[C@H](Cn1nc(C(c3ccccc3)c3ccccc3)ccc1=O)C2 | 10.1016/j.ejmech.2016.07.061 | ||
9934864 | 214325 | 12 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 480 | 8 | 1 | 5 | 4.7 | O=C(O)COc1cccc2c1CC[C@H](Cn1nc(C(c3ccccc3)c3ccccc3)ccc1=O)C2 | 10.1007/s00044-012-0261-1 | ||
CHEMBL94751 | 214325 | 12 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 480 | 8 | 1 | 5 | 4.7 | O=C(O)COc1cccc2c1CC[C@H](Cn1nc(C(c3ccccc3)c3ccccc3)ccc1=O)C2 | 10.1007/s00044-012-0261-1 | ||
118727307 | 124200 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 502 | 7 | 1 | 5 | 5.1 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(F)c3F)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
CHEMBL3398228 | 124200 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 502 | 7 | 1 | 5 | 5.1 | O=C(O)COc1cccc2c1CCC(Cn1ncc(-c3cccc(F)c3F)c(-c3ccccc3)c1=O)C2 | 10.1016/j.bmcl.2015.01.024 | ||
44627515 | 203616 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 572 | 6 | 1 | 5 | 7.2 | Cc1cn(Cc2ccc3ccccc3c2)c2c(/C=C/C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12 | 10.1021/jm9005912 | ||
CHEMBL565799 | 203616 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 572 | 6 | 1 | 5 | 7.2 | Cc1cn(Cc2ccc3ccccc3c2)c2c(/C=C/C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12 | 10.1021/jm9005912 | ||
138107701 | 194243 | 46 | None | -5 | 15 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 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 | 10.1021/acs.jmedchem.6b00871 | ||
5311181 | 194243 | 46 | None | -5 | 15 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 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 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL494 | 194243 | 46 | None | -5 | 15 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 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 | 10.1021/acs.jmedchem.6b00871 | ||
DB01088 | 194243 | 46 | None | -5 | 15 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 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 | 10.1021/acs.jmedchem.6b00871 | ||
127029418 | 146172 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 412 | 9 | 1 | 5 | 2.9 | COc1ccc(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2ccccc2)cc1 | 10.1016/j.bmcl.2016.03.009 | ||
CHEMBL3793345 | 146172 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 412 | 9 | 1 | 5 | 2.9 | COc1ccc(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2ccccc2)cc1 | 10.1016/j.bmcl.2016.03.009 | ||
24901443 | 93978 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 453 | 8 | 2 | 4 | 5.4 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NC[C@@H](C)c3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
CHEMBL232767 | 93978 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 453 | 8 | 2 | 4 | 5.4 | CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NC[C@@H](C)c3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.025 | ||
44234032 | 153216 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3922000 | 153216 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
44266775 | 11647 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 360 | 11 | 2 | 3 | 4.8 | CCCCCC(O)/C=C/CCC1CCCc2c(OCC(=O)O)cccc21 | 10.1016/0960-894X(95)00167-R | ||
CHEMBL10439 | 11647 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 360 | 11 | 2 | 3 | 4.8 | CCCCCC(O)/C=C/CCC1CCCc2c(OCC(=O)O)cccc21 | 10.1016/0960-894X(95)00167-R | ||
138107701 | 194243 | 46 | None | 5 | 15 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 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 | 10.1021/acs.jmedchem.6b00871 | ||
5311181 | 194243 | 46 | None | 5 | 15 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 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 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL494 | 194243 | 46 | None | 5 | 15 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 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 | 10.1021/acs.jmedchem.6b00871 | ||
DB01088 | 194243 | 46 | None | 5 | 15 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 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 | 10.1021/acs.jmedchem.6b00871 | ||
11414893 | 213836 | 4 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 283 | 3 | 2 | 4 | 3.5 | Cc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9172 | 213836 | 4 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 283 | 3 | 2 | 4 | 3.5 | Cc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
11230941 | 215122 | 1 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 267 | 3 | 2 | 4 | 2.7 | COc1ccc(-c2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9936 | 215122 | 1 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 267 | 3 | 2 | 4 | 2.7 | COc1ccc(-c2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
10185382 | 71189 | 0 | None | -100 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 500 | 7 | 1 | 7 | 4.6 | COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813119 | 71189 | 0 | None | -100 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 500 | 7 | 1 | 7 | 4.6 | COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | ||
1932 | 9716 | 5 | None | -5888 | 6 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 410 | 12 | 3 | 3 | 4.8 | C=CCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)C[C@H]([C@@H]1C/C=C\CCCC(=O)O)Cl)O | 10.1021/jm401431x | ||
5311228 | 9716 | 5 | None | -5888 | 6 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 410 | 12 | 3 | 3 | 4.8 | C=CCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)C[C@H]([C@@H]1C/C=C\CCCC(=O)O)Cl)O | 10.1021/jm401431x | ||
CHEMBL3286796 | 9716 | 5 | None | -5888 | 6 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 410 | 12 | 3 | 3 | 4.8 | C=CCC1(CCC1)[C@H](C/C=C/[C@H]1[C@H](O)C[C@H]([C@@H]1C/C=C\CCCC(=O)O)Cl)O | 10.1021/jm401431x | ||
9807448 | 209951 | 0 | None | -6309 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 398 | 11 | 3 | 3 | 4.7 | CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1021/jm401431x | ||
CHEMBL64246 | 209951 | 0 | None | -6309 | 4 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 398 | 11 | 3 | 3 | 4.7 | CCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)CCC1 | 10.1021/jm401431x | ||
11771014 | 214135 | 4 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 299 | 5 | 0 | 3 | 4.4 | COc1ccc(Sc2ccc(CN3CCCC3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9367 | 214135 | 4 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 299 | 5 | 0 | 3 | 4.4 | COc1ccc(Sc2ccc(CN3CCCC3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
56681885 | 71193 | 0 | None | -28 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 488 | 6 | 1 | 6 | 4.7 | Cc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1F | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813122 | 71193 | 0 | None | -28 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 488 | 6 | 1 | 6 | 4.7 | Cc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1F | 10.1016/j.bmc.2011.06.014 | ||
44402824 | 77896 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 463 | 7 | 3 | 6 | 3.8 | O=C(O)COc1cccc2c1CC[C@](O)(COC(=O)N(c1ccccc1)c1ccccc1)[C@@H]2O | 10.1016/j.bmcl.2005.04.047 | ||
CHEMBL195456 | 77896 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 463 | 7 | 3 | 6 | 3.8 | O=C(O)COc1cccc2c1CC[C@](O)(COC(=O)N(c1ccccc1)c1ccccc1)[C@@H]2O | 10.1016/j.bmcl.2005.04.047 | ||
10277744 | 71186 | 0 | None | -38 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 484 | 6 | 1 | 6 | 4.9 | Cc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813116 | 71186 | 0 | None | -38 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 484 | 6 | 1 | 6 | 4.9 | Cc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | ||
10185103 | 21465 | 2 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 494 | 7 | 1 | 5 | 6.7 | O=C(O)COc1cccc2c1CCC[C@H]2N1CCC[C@@H]1c1nc(-c2ccccc2)c(-c2ccccc2)o1 | 10.1016/j.bmcl.2005.04.042 | ||
CHEMBL1206056 | 21465 | 2 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 494 | 7 | 1 | 5 | 6.7 | O=C(O)COc1cccc2c1CCC[C@H]2N1CCC[C@@H]1c1nc(-c2ccccc2)c(-c2ccccc2)o1 | 10.1016/j.bmcl.2005.04.042 | ||
CHEMBL190497 | 21465 | 2 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 494 | 7 | 1 | 5 | 6.7 | O=C(O)COc1cccc2c1CCC[C@H]2N1CCC[C@@H]1c1nc(-c2ccccc2)c(-c2ccccc2)o1 | 10.1016/j.bmcl.2005.04.042 | ||
10185103 | 21465 | 2 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 494 | 7 | 1 | 5 | 6.7 | O=C(O)COc1cccc2c1CCC[C@H]2N1CCC[C@@H]1c1nc(-c2ccccc2)c(-c2ccccc2)o1 | 10.1016/j.bmcl.2005.04.047 | ||
CHEMBL1206056 | 21465 | 2 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 494 | 7 | 1 | 5 | 6.7 | O=C(O)COc1cccc2c1CCC[C@H]2N1CCC[C@@H]1c1nc(-c2ccccc2)c(-c2ccccc2)o1 | 10.1016/j.bmcl.2005.04.047 | ||
CHEMBL190497 | 21465 | 2 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 494 | 7 | 1 | 5 | 6.7 | O=C(O)COc1cccc2c1CCC[C@H]2N1CCC[C@@H]1c1nc(-c2ccccc2)c(-c2ccccc2)o1 | 10.1016/j.bmcl.2005.04.047 | ||
11461588 | 11041 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 327 | 4 | 2 | 5 | 4.0 | COc1ccc(Sc2ccc(NC3=NCCCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL10058 | 11041 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 327 | 4 | 2 | 5 | 4.0 | COc1ccc(Sc2ccc(NC3=NCCCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
11402676 | 215153 | 6 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 258 | 4 | 2 | 3 | 3.1 | COc1ccc(Sc2ccc(C(=N)N)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9953 | 215153 | 6 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 258 | 4 | 2 | 3 | 3.1 | COc1ccc(Sc2ccc(C(=N)N)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
10299717 | 71191 | 0 | None | -37 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 484 | 6 | 1 | 6 | 4.9 | Cc1cc(OC[C@@H]2CN(C)c3ccccc3O2)ccc1C(=O)n1c(C)c(CC(=O)O)c2ccccc21 | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813120 | 71191 | 0 | None | -37 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 484 | 6 | 1 | 6 | 4.9 | Cc1cc(OC[C@@H]2CN(C)c3ccccc3O2)ccc1C(=O)n1c(C)c(CC(=O)O)c2ccccc21 | 10.1016/j.bmc.2011.06.014 | ||
10300724 | 71203 | 0 | None | -47 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 502 | 6 | 1 | 6 | 5.0 | Cc1cc(OC[C@@H]2CN(C)c3ccccc3O2)ccc1C(=O)n1c(C)c(CC(=O)O)c2cc(F)ccc21 | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813275 | 71203 | 0 | None | -47 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 502 | 6 | 1 | 6 | 5.0 | Cc1cc(OC[C@@H]2CN(C)c3ccccc3O2)ccc1C(=O)n1c(C)c(CC(=O)O)c2cc(F)ccc21 | 10.1016/j.bmc.2011.06.014 | ||
9939791 | 168697 | 0 | None | -1071 | 8 | Human | 4.9 | pKi | = | 4.9 | 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 | -1071 | 8 | Human | 4.9 | pKi | = | 4.9 | 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 | ||
44402710 | 78734 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 431 | 7 | 1 | 4 | 5.2 | O=C(O)COc1cccc2c1CCC(COC(=O)N(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2005.04.047 | ||
CHEMBL197319 | 78734 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 431 | 7 | 1 | 4 | 5.2 | O=C(O)COc1cccc2c1CCC(COC(=O)N(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2005.04.047 | ||
44304334 | 208355 | 0 | None | -707 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CSCCCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | ||
CHEMBL60555 | 208355 | 0 | None | -707 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CSCCCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | ||
56682059 | 71595 | 0 | None | -53 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 480 | 7 | 2 | 5 | 4.8 | Cc1ccc(CC(=O)O)cc1NC(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1Cl | 10.1016/j.bmc.2011.08.065 | ||
CHEMBL1819619 | 71595 | 0 | None | -53 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 480 | 7 | 2 | 5 | 4.8 | Cc1ccc(CC(=O)O)cc1NC(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1Cl | 10.1016/j.bmc.2011.08.065 | ||
11269563 | 148388 | 0 | None | -12882 | 5 | Human | 4.9 | pKi | = | 4.9 | 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 | -12882 | 5 | Human | 4.9 | pKi | = | 4.9 | 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 | ||
138 | 9855 | 88 | None | -165 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 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 | 10.1016/s0960-894x(01)00365-1 | ||
149351 | 9855 | 88 | None | -165 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 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 | 10.1016/s0960-894x(01)00365-1 | ||
1882 | 9855 | 88 | None | -165 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 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 | 10.1016/s0960-894x(01)00365-1 | ||
5280723 | 9855 | 88 | None | -165 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 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 | 10.1016/s0960-894x(01)00365-1 | ||
CHEMBL495 | 9855 | 88 | None | -165 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 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 | 10.1016/s0960-894x(01)00365-1 | ||
DB00770 | 9855 | 88 | None | -165 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 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 | 10.1016/s0960-894x(01)00365-1 | ||
138 | 9855 | 88 | None | -165 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 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 | 10.1016/s0960-894x(01)00359-6 | ||
149351 | 9855 | 88 | None | -165 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 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 | 10.1016/s0960-894x(01)00359-6 | ||
1882 | 9855 | 88 | None | -165 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 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 | 10.1016/s0960-894x(01)00359-6 | ||
5280723 | 9855 | 88 | None | -165 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 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 | 10.1016/s0960-894x(01)00359-6 | ||
CHEMBL495 | 9855 | 88 | None | -165 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 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 | 10.1016/s0960-894x(01)00359-6 | ||
DB00770 | 9855 | 88 | None | -165 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 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 | 10.1016/s0960-894x(01)00359-6 | ||
138 | 9855 | 88 | None | -165 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 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 | 10.1016/s0960-894x(01)00364-x | ||
149351 | 9855 | 88 | None | -165 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 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 | 10.1016/s0960-894x(01)00364-x | ||
1882 | 9855 | 88 | None | -165 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 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 | 10.1016/s0960-894x(01)00364-x | ||
5280723 | 9855 | 88 | None | -165 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 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 | 10.1016/s0960-894x(01)00364-x | ||
CHEMBL495 | 9855 | 88 | None | -165 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 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 | 10.1016/s0960-894x(01)00364-x | ||
DB00770 | 9855 | 88 | None | -165 | 18 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 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 | 10.1016/s0960-894x(01)00364-x | ||
56678560 | 71207 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 518 | 7 | 1 | 7 | 4.7 | COc1cc(C(=O)n2c(C)c(CC(=O)O)c3cc(F)ccc32)ccc1OC[C@@H]1CN(C)c2ccccc2O1 | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813279 | 71207 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 518 | 7 | 1 | 7 | 4.7 | COc1cc(C(=O)n2c(C)c(CC(=O)O)c3cc(F)ccc32)ccc1OC[C@@H]1CN(C)c2ccccc2O1 | 10.1016/j.bmc.2011.06.014 | ||
11488860 | 26063 | 0 | None | -36307 | 8 | Human | 4.8 | pKi | = | 4.8 | Binding | 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 | -36307 | 8 | Human | 4.8 | pKi | = | 4.8 | Binding | 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 | ||
11198334 | 214510 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 331 | 4 | 2 | 6 | 1.9 | COc1ccc(S(=O)(=O)c2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9573 | 214510 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 331 | 4 | 2 | 6 | 1.9 | COc1ccc(S(=O)(=O)c2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
11737656 | 215024 | 5 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 283 | 4 | 2 | 5 | 2.9 | COc1ccc(Oc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9873 | 215024 | 5 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 283 | 4 | 2 | 5 | 2.9 | COc1ccc(Oc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
56668353 | 71206 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 502 | 6 | 1 | 6 | 5.0 | Cc1cc(C(=O)n2c(C)c(CC(=O)O)c3cc(F)ccc32)ccc1OC[C@@H]1CN(C)c2ccccc2O1 | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813278 | 71206 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 502 | 6 | 1 | 6 | 5.0 | Cc1cc(C(=O)n2c(C)c(CC(=O)O)c3cc(F)ccc32)ccc1OC[C@@H]1CN(C)c2ccccc2O1 | 10.1016/j.bmc.2011.06.014 | ||
56665068 | 71598 | 0 | None | -123 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 500 | 7 | 2 | 5 | 5.1 | CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(=O)O)ccc3Cl)c(Cl)c2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.065 | ||
CHEMBL1819622 | 71598 | 0 | None | -123 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 500 | 7 | 2 | 5 | 5.1 | CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(=O)O)ccc3Cl)c(Cl)c2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.065 | ||
56665068 | 71598 | 0 | None | -123 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 500 | 7 | 2 | 5 | 5.1 | CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(=O)O)ccc3Cl)c(Cl)c2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.007 | ||
CHEMBL1819622 | 71598 | 0 | None | -123 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 500 | 7 | 2 | 5 | 5.1 | CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(=O)O)ccc3Cl)c(Cl)c2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.007 | ||
44400189 | 74263 | 0 | None | -3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 449 | 7 | 1 | 3 | 7.1 | O=C(O)Cc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1021/jm050085k | ||
CHEMBL189378 | 74263 | 0 | None | -3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 449 | 7 | 1 | 3 | 7.1 | O=C(O)Cc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1021/jm050085k | ||
57391066 | 75017 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 520 | 7 | 2 | 5 | 5.6 | Cc1cc(C(=O)Nc2cc(C3(C(=O)O)CC3)ccc2Cl)c(C)cc1OC[C@@H]1CN(C)c2ccccc2O1 | 10.1016/j.bmc.2011.08.065 | ||
CHEMBL1915864 | 75017 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 520 | 7 | 2 | 5 | 5.6 | Cc1cc(C(=O)Nc2cc(C3(C(=O)O)CC3)ccc2Cl)c(C)cc1OC[C@@H]1CN(C)c2ccccc2O1 | 10.1016/j.bmc.2011.08.065 | ||
56675399 | 71590 | 0 | None | -229 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 480 | 7 | 2 | 5 | 4.8 | Cc1cc(OC[C@@H]2CN(C)c3ccccc3O2)ccc1C(=O)Nc1cc(CC(=O)O)ccc1Cl | 10.1016/j.bmc.2011.08.065 | ||
CHEMBL1819614 | 71590 | 0 | None | -229 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 480 | 7 | 2 | 5 | 4.8 | Cc1cc(OC[C@@H]2CN(C)c3ccccc3O2)ccc1C(=O)Nc1cc(CC(=O)O)ccc1Cl | 10.1016/j.bmc.2011.08.065 | ||
11260449 | 75005 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 494 | 7 | 2 | 5 | 5.1 | Cc1cc(C(=O)Nc2cc(CC(=O)O)ccc2Cl)c(C)cc1OC[C@@H]1CN(C)c2ccccc2O1 | 10.1016/j.bmc.2011.08.065 | ||
CHEMBL1915677 | 75005 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 494 | 7 | 2 | 5 | 5.1 | Cc1cc(C(=O)Nc2cc(CC(=O)O)ccc2Cl)c(C)cc1OC[C@@H]1CN(C)c2ccccc2O1 | 10.1016/j.bmc.2011.08.065 | ||
11237257 | 74381 | 0 | None | -446 | 2 | Human | 5.7 | pKi | = | 5.7 | 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 | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 494 | 10 | 2 | 6 | 4.3 | CC(c1ccccc1)(c1ccccc1)S(=O)(=O)CCc1c(CO)oc2c(OCC(=O)O)cccc12 | 10.1021/jm050194z | ||
10116116 | 71185 | 0 | None | -25 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 470 | 6 | 1 | 6 | 4.5 | Cc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813115 | 71185 | 0 | None | -25 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 470 | 6 | 1 | 6 | 4.5 | Cc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | ||
53358922 | 71204 | 0 | None | -38 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 522 | 6 | 1 | 6 | 5.3 | Cc1c(CC(=O)O)c2cc(F)ccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1Cl | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813276 | 71204 | 0 | None | -38 | 6 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 522 | 6 | 1 | 6 | 5.3 | Cc1c(CC(=O)O)c2cc(F)ccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1Cl | 10.1016/j.bmc.2011.06.014 | ||
15947857 | 162292 | 7 | None | -1778 | 7 | Human | 5.7 | pKi | = | 5.7 | 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 | -1778 | 7 | Human | 5.7 | pKi | = | 5.7 | 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 | ||
10163305 | 71196 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 488 | 6 | 1 | 6 | 4.7 | Cc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)c(F)c1 | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813125 | 71196 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 488 | 6 | 1 | 6 | 4.7 | Cc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)c(F)c1 | 10.1016/j.bmc.2011.06.014 | ||
11374965 | 75968 | 0 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | 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 | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 476 | 11 | 2 | 5 | 5.7 | CC(SCCc1c(CCO)oc2c(OCC(=O)O)cccc12)(c1ccccc1)c1ccccc1 | 10.1021/jm050194z | ||
56671851 | 71211 | 0 | None | -48 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 5.1 | Cc1cc(OC[C@@H]2COc3ccccc32)ccc1C(=O)n1c(C)c(CC(=O)O)c2ccccc21 | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813283 | 71211 | 0 | None | -48 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 5.1 | Cc1cc(OC[C@@H]2COc3ccccc32)ccc1C(=O)n1c(C)c(CC(=O)O)c2ccccc21 | 10.1016/j.bmc.2011.06.014 | ||
9809136 | 113666 | 0 | None | -2089 | 8 | Human | 4.7 | pKi | = | 4.7 | 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 | -2089 | 8 | Human | 4.7 | pKi | = | 4.7 | 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 | ||
9895436 | 113793 | 0 | None | -1174 | 7 | Human | 4.7 | pKi | = | 4.7 | 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 | -1174 | 7 | Human | 4.7 | pKi | = | 4.7 | 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 | ||
53358921 | 71215 | 0 | None | -457 | 6 | Human | 5.7 | pKi | = | 5.7 | 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 | -457 | 6 | Human | 5.7 | pKi | = | 5.7 | 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 | ||
56678561 | 71208 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 516 | 6 | 1 | 6 | 5.3 | Cc1c(OC[C@@H]2CN(C)c3ccccc3O2)ccc(C(=O)n2c(C)c(CC(=O)O)c3cc(F)ccc32)c1C | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813280 | 71208 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 516 | 6 | 1 | 6 | 5.3 | Cc1c(OC[C@@H]2CN(C)c3ccccc3O2)ccc(C(=O)n2c(C)c(CC(=O)O)c3cc(F)ccc32)c1C | 10.1016/j.bmc.2011.06.014 | ||
21877027 | 215092 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.7 | COc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9910 | 215092 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 281 | 4 | 2 | 4 | 2.7 | COc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
10139183 | 74997 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 456 | 6 | 1 | 6 | 4.2 | CN1C[C@@H](COc2ccc(C(=O)n3ccc4c(CC(=O)O)cccc43)cc2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.065 | ||
CHEMBL1915669 | 74997 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 456 | 6 | 1 | 6 | 4.2 | CN1C[C@@H](COc2ccc(C(=O)n3ccc4c(CC(=O)O)cccc43)cc2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.065 | ||
11220357 | 104120 | 5 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 301 | 5 | 2 | 3 | 3.6 | CC/N=C(\N)Nc1ccc(Sc2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL269403 | 104120 | 5 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 301 | 5 | 2 | 3 | 3.6 | CC/N=C(\N)Nc1ccc(Sc2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
11186023 | 214139 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 4 | 2 | 4 | 4.3 | CC(C)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9368 | 214139 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 311 | 4 | 2 | 4 | 4.3 | CC(C)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
53494965 | 71587 | 0 | None | -85 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 460 | 7 | 2 | 5 | 4.5 | Cc1ccc(CC(=O)O)cc1NC(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1C | 10.1016/j.bmc.2011.08.065 | ||
CHEMBL1819611 | 71587 | 0 | None | -85 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 460 | 7 | 2 | 5 | 4.5 | Cc1ccc(CC(=O)O)cc1NC(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1C | 10.1016/j.bmc.2011.08.065 | ||
11236846 | 75002 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 474 | 7 | 2 | 5 | 4.8 | Cc1ccc(CC(=O)O)cc1NC(=O)c1cc(C)c(OC[C@@H]2CN(C)c3ccccc3O2)cc1C | 10.1016/j.bmc.2011.08.065 | ||
CHEMBL1915674 | 75002 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 474 | 7 | 2 | 5 | 4.8 | Cc1ccc(CC(=O)O)cc1NC(=O)c1cc(C)c(OC[C@@H]2CN(C)c3ccccc3O2)cc1C | 10.1016/j.bmc.2011.08.065 | ||
53494965 | 71587 | 0 | None | -85 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 460 | 7 | 2 | 5 | 4.5 | Cc1ccc(CC(=O)O)cc1NC(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1C | 10.1016/j.bmc.2011.08.007 | ||
CHEMBL1819611 | 71587 | 0 | None | -85 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 460 | 7 | 2 | 5 | 4.5 | Cc1ccc(CC(=O)O)cc1NC(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1C | 10.1016/j.bmc.2011.08.007 | ||
11350967 | 73961 | 0 | None | 11 | 2 | Human | 6.6 | pKi | = | 6.6 | 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 | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 432 | 10 | 1 | 4 | 6.4 | O=C(O)COc1cccc2c(CCCSC(c3ccccc3)c3ccccc3)coc12 | 10.1021/jm050194z | ||
56661652 | 71584 | 0 | None | -169 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 466 | 7 | 2 | 5 | 4.5 | CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(=O)O)c3)c(Cl)c2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.065 | ||
CHEMBL1819609 | 71584 | 0 | None | -169 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 466 | 7 | 2 | 5 | 4.5 | CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(=O)O)c3)c(Cl)c2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.065 | ||
56664921 | 71212 | 0 | None | -39 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 5.0 | Cc1cc(OC[C@@H]2Cc3ccccc3O2)ccc1C(=O)n1c(C)c(CC(=O)O)c2ccccc21 | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813284 | 71212 | 0 | None | -39 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 5.0 | Cc1cc(OC[C@@H]2Cc3ccccc3O2)ccc1C(=O)n1c(C)c(CC(=O)O)c2ccccc21 | 10.1016/j.bmc.2011.06.014 | ||
9938626 | 213612 | 0 | None | -1778 | 7 | Human | 4.6 | pKi | = | 4.6 | 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 | -1778 | 7 | Human | 4.6 | pKi | = | 4.6 | 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 | ||
56668527 | 71582 | 0 | None | -4 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 460 | 8 | 1 | 5 | 4.3 | CCN(C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1)c1cccc(CC(=O)O)c1 | 10.1016/j.bmc.2011.08.007 | ||
CHEMBL1819607 | 71582 | 0 | None | -4 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 460 | 8 | 1 | 5 | 4.3 | CCN(C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1)c1cccc(CC(=O)O)c1 | 10.1016/j.bmc.2011.08.007 | ||
11282605 | 74748 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 460 | 12 | 1 | 4 | 6.8 | O=C(O)COc1cccc2c(CCCSCCC(c3ccccc3)c3ccccc3)coc12 | 10.1021/jm050194z | ||
CHEMBL191175 | 74748 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 460 | 12 | 1 | 4 | 6.8 | O=C(O)COc1cccc2c(CCCSCCC(c3ccccc3)c3ccccc3)coc12 | 10.1021/jm050194z | ||
44219292 | 119359 | 38 | None | 25 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3301604 | 119359 | 38 | None | 25 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3919269 | 119359 | 38 | None | 25 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
DB12462 | 119359 | 38 | None | 25 | 7 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
138107701 | 194243 | 46 | None | -5 | 15 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 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 | 10.1021/acs.jmedchem.6b00871 | ||
5311181 | 194243 | 46 | None | -5 | 15 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 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 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL494 | 194243 | 46 | None | -5 | 15 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 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 | 10.1021/acs.jmedchem.6b00871 | ||
DB01088 | 194243 | 46 | None | -5 | 15 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 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 | 10.1021/acs.jmedchem.6b00871 | ||
44304436 | 210099 | 0 | None | -8 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 400 | 14 | 3 | 5 | 3.8 | CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O | 10.1016/s0960-894x(01)00364-x | ||
CHEMBL64854 | 210099 | 0 | None | -8 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 400 | 14 | 3 | 5 | 3.8 | CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O | 10.1016/s0960-894x(01)00364-x | ||
56661510 | 71213 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 457 | 6 | 1 | 6 | 4.8 | Cc1cc(OCC2Oc3ccccc3O2)ccc1C(=O)n1c(C)c(CC(=O)O)c2ccccc21 | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813285 | 71213 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 457 | 6 | 1 | 6 | 4.8 | Cc1cc(OCC2Oc3ccccc3O2)ccc1C(=O)n1c(C)c(CC(=O)O)c2ccccc21 | 10.1016/j.bmc.2011.06.014 | ||
11336395 | 214559 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 327 | 5 | 2 | 5 | 4.0 | CC(C)Oc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9604 | 214559 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 327 | 5 | 2 | 5 | 4.0 | CC(C)Oc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
11255468 | 214619 | 3 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 314 | 4 | 2 | 6 | 3.1 | O=[N+]([O-])c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9639 | 214619 | 3 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 314 | 4 | 2 | 6 | 3.1 | O=[N+]([O-])c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
44266308 | 214806 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 295 | 4 | 2 | 5 | 2.3 | COc1ccc(C(=O)c2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9744 | 214806 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 295 | 4 | 2 | 5 | 2.3 | COc1ccc(C(=O)c2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
11460304 | 215225 | 5 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 284 | 4 | 1 | 4 | 3.2 | COc1ccc(Sc2ccc(C3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9998 | 215225 | 5 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 284 | 4 | 1 | 4 | 3.2 | COc1ccc(Sc2ccc(C3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
22024188 | 104136 | 4 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 267 | 1 | 2 | 4 | 3.4 | c1ccc2c(c1)sc1ccc(NC3=NCCN3)cc12 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL269520 | 104136 | 4 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 267 | 1 | 2 | 4 | 3.4 | c1ccc2c(c1)sc1ccc(NC3=NCCN3)cc12 | 10.1016/j.bmcl.2003.10.070 | ||
11254374 | 214526 | 1 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 275 | 3 | 2 | 4 | 3.5 | c1cc(SC2CCCCC2)ccc1NC1=NCCN1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9583 | 214526 | 1 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 275 | 3 | 2 | 4 | 3.5 | c1cc(SC2CCCCC2)ccc1NC1=NCCN1 | 10.1016/j.bmcl.2003.10.070 | ||
10228100 | 71188 | 0 | None | -54 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 488 | 6 | 1 | 6 | 4.7 | Cc1c(CC(=O)O)c2cc(F)ccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813118 | 71188 | 0 | None | -54 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 488 | 6 | 1 | 6 | 4.7 | Cc1c(CC(=O)O)c2cc(F)ccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | ||
56661509 | 71205 | 0 | None | -83 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 506 | 6 | 1 | 6 | 4.8 | Cc1c(CC(=O)O)c2cc(F)ccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1F | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813277 | 71205 | 0 | None | -83 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 506 | 6 | 1 | 6 | 4.8 | Cc1c(CC(=O)O)c2cc(F)ccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1F | 10.1016/j.bmc.2011.06.014 | ||
57391065 | 75014 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 528 | 7 | 2 | 5 | 5.9 | CN1C[C@@H](COc2ccc(C(=O)Nc3cc(C(C)(C)C(=O)O)ccc3Cl)c(Cl)c2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.065 | ||
CHEMBL1915861 | 75014 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 528 | 7 | 2 | 5 | 5.9 | CN1C[C@@H](COc2ccc(C(=O)Nc3cc(C(C)(C)C(=O)O)ccc3Cl)c(Cl)c2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.065 | ||
57403305 | 75015 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 522 | 7 | 2 | 5 | 5.8 | Cc1cc(C(=O)Nc2cc(C(C)(C)C(=O)O)ccc2Cl)c(C)cc1OC[C@@H]1CN(C)c2ccccc2O1 | 10.1016/j.bmc.2011.08.065 | ||
CHEMBL1915862 | 75015 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 522 | 7 | 2 | 5 | 5.8 | Cc1cc(C(=O)Nc2cc(C(C)(C)C(=O)O)ccc2Cl)c(C)cc1OC[C@@H]1CN(C)c2ccccc2O1 | 10.1016/j.bmc.2011.08.065 | ||
11260506 | 74314 | 0 | None | -19 | 2 | Human | 5.5 | pKi | = | 5.5 | 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 | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 476 | 11 | 2 | 5 | 6.0 | CCC(SCCc1c(CO)oc2c(OCC(=O)O)cccc12)(c1ccccc1)c1ccccc1 | 10.1021/jm050194z | ||
11352417 | 75004 | 0 | None | -123 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 494 | 7 | 2 | 5 | 5.1 | Cc1c(OC[C@@H]2CN(C)c3ccccc3O2)ccc(C(=O)Nc2cc(CC(=O)O)ccc2Cl)c1C | 10.1016/j.bmc.2011.08.065 | ||
CHEMBL1915676 | 75004 | 0 | None | -123 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 494 | 7 | 2 | 5 | 5.1 | Cc1c(OC[C@@H]2CN(C)c3ccccc3O2)ccc(C(=O)Nc2cc(CC(=O)O)ccc2Cl)c1C | 10.1016/j.bmc.2011.08.065 | ||
56672019 | 71588 | 0 | None | -416 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 460 | 7 | 2 | 5 | 4.5 | Cc1cc(CC(=O)O)cc(NC(=O)c2ccc(OC[C@@H]3CN(C)c4ccccc4O3)cc2C)c1 | 10.1016/j.bmc.2011.08.007 | ||
CHEMBL1819612 | 71588 | 0 | None | -416 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 460 | 7 | 2 | 5 | 4.5 | Cc1cc(CC(=O)O)cc(NC(=O)c2ccc(OC[C@@H]3CN(C)c4ccccc4O3)cc2C)c1 | 10.1016/j.bmc.2011.08.007 | ||
56675398 | 71583 | 0 | None | -204 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 446 | 7 | 2 | 5 | 4.2 | Cc1cc(OC[C@@H]2CN(C)c3ccccc3O2)ccc1C(=O)Nc1cccc(CC(=O)O)c1 | 10.1016/j.bmc.2011.08.065 | ||
CHEMBL1819608 | 71583 | 0 | None | -204 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 446 | 7 | 2 | 5 | 4.2 | Cc1cc(OC[C@@H]2CN(C)c3ccccc3O2)ccc1C(=O)Nc1cccc(CC(=O)O)c1 | 10.1016/j.bmc.2011.08.065 | ||
56675398 | 71583 | 0 | None | -204 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 446 | 7 | 2 | 5 | 4.2 | Cc1cc(OC[C@@H]2CN(C)c3ccccc3O2)ccc1C(=O)Nc1cccc(CC(=O)O)c1 | 10.1016/j.bmc.2011.08.007 | ||
CHEMBL1819608 | 71583 | 0 | None | -204 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 446 | 7 | 2 | 5 | 4.2 | Cc1cc(OC[C@@H]2CN(C)c3ccccc3O2)ccc1C(=O)Nc1cccc(CC(=O)O)c1 | 10.1016/j.bmc.2011.08.007 | ||
10116114 | 132664 | 0 | None | -10 | 8 | Human | 7.4 | pKi | = | 7.4 | 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 | -10 | 8 | Human | 7.4 | pKi | = | 7.4 | 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 | -10 | 8 | Human | 7.4 | pKi | = | 7.4 | 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.2011.08.065 | ||
CHEMBL364841 | 132664 | 0 | None | -10 | 8 | Human | 7.4 | pKi | = | 7.4 | 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.2011.08.065 | ||
10116114 | 132664 | 0 | None | -10 | 8 | Human | 7.4 | pKi | = | 7.4 | 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 | -10 | 8 | Human | 7.4 | pKi | = | 7.4 | 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 | ||
11278428 | 214474 | 4 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 313 | 5 | 2 | 5 | 3.6 | CCOc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9552 | 214474 | 4 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 313 | 5 | 2 | 5 | 3.6 | CCOc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
11208785 | 214195 | 4 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 299 | 4 | 2 | 5 | 3.2 | COc1cccc(Sc2ccc(NC3=NCCN3)cc2)c1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9398 | 214195 | 4 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 299 | 4 | 2 | 5 | 3.2 | COc1cccc(Sc2ccc(NC3=NCCN3)cc2)c1 | 10.1016/j.bmcl.2003.10.070 | ||
11461526 | 214484 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 325 | 3 | 2 | 4 | 4.5 | CC(C)(C)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9558 | 214484 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 325 | 3 | 2 | 4 | 4.5 | CC(C)(C)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
11460765 | 105135 | 4 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 299 | 4 | 2 | 5 | 3.2 | COc1ccc(Sc2cccc(NC3=NCCN3)c2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL275233 | 105135 | 4 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 299 | 4 | 2 | 5 | 3.2 | COc1ccc(Sc2cccc(NC3=NCCN3)c2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
11324024 | 214272 | 3 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 299 | 4 | 2 | 5 | 3.2 | COc1ccccc1Sc1ccc(NC2=NCCN2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9442 | 214272 | 3 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 299 | 4 | 2 | 5 | 3.2 | COc1ccccc1Sc1ccc(NC2=NCCN2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
138107701 | 194243 | 46 | None | -5 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 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 | 10.1016/j.ejmech.2013.01.044 | ||
5311181 | 194243 | 46 | None | -5 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 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 | 10.1016/j.ejmech.2013.01.044 | ||
CHEMBL494 | 194243 | 46 | None | -5 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 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 | 10.1016/j.ejmech.2013.01.044 | ||
DB01088 | 194243 | 46 | None | -5 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 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 | 10.1016/j.ejmech.2013.01.044 | ||
127046072 | 146614 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 440 | 8 | 1 | 6 | 2.9 | Cc1ccc(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2ccc3c(c2)OCO3)cc1 | 10.1016/j.bmcl.2016.04.043 | ||
CHEMBL3798917 | 146614 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 440 | 8 | 1 | 6 | 2.9 | Cc1ccc(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2ccc3c(c2)OCO3)cc1 | 10.1016/j.bmcl.2016.04.043 | ||
CHEMBL3799044 | 146614 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 440 | 8 | 1 | 6 | 2.9 | Cc1ccc(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2ccc3c(c2)OCO3)cc1 | 10.1016/j.bmcl.2016.04.043 | ||
11597294 | 172955 | 4 | None | -478 | 8 | Human | 6.4 | pKi | = | 6.4 | 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 | -478 | 8 | Human | 6.4 | pKi | = | 6.4 | 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 | ||
44234028 | 152650 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 538 | 11 | 2 | 6 | 4.4 | O=C(COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1)NCCS(=O)(=O)O | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3917503 | 152650 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 538 | 11 | 2 | 6 | 4.4 | O=C(COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1)NCCS(=O)(=O)O | 10.1021/acs.jmedchem.6b00871 | ||
11201693 | 74159 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 446 | 11 | 1 | 4 | 6.4 | O=C(O)COc1cccc2c(CCCSCC(c3ccccc3)c3ccccc3)coc12 | 10.1021/jm050194z | ||
CHEMBL188758 | 74159 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 446 | 11 | 1 | 4 | 6.4 | O=C(O)COc1cccc2c(CCCSCC(c3ccccc3)c3ccccc3)coc12 | 10.1021/jm050194z | ||
10225921 | 21586 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 451 | 8 | 1 | 4 | 6.5 | O=C(O)COc1cccc(C[C@@H]2CCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.076 | ||
CHEMBL1207206 | 21586 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 451 | 8 | 1 | 4 | 6.5 | O=C(O)COc1cccc(C[C@@H]2CCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.076 | ||
CHEMBL363350 | 21586 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 451 | 8 | 1 | 4 | 6.5 | O=C(O)COc1cccc(C[C@@H]2CCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.076 | ||
11316066 | 74084 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | 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 | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 418 | 9 | 1 | 4 | 6.0 | O=C(O)COc1cccc2c(CCSC(c3ccccc3)c3ccccc3)coc12 | 10.1021/jm050194z | ||
10300616 | 71200 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 500 | 7 | 1 | 7 | 4.6 | COc1cc(C(=O)n2c(C)c(CC(=O)O)c3ccccc32)ccc1OC[C@@H]1CN(C)c2ccccc2O1 | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813272 | 71200 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 500 | 7 | 1 | 7 | 4.6 | COc1cc(C(=O)n2c(C)c(CC(=O)O)c3ccccc32)ccc1OC[C@@H]1CN(C)c2ccccc2O1 | 10.1016/j.bmc.2011.06.014 | ||
56658143 | 71579 | 0 | None | -32 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 468 | 8 | 2 | 6 | 3.4 | CN1C[C@@H](COc2ccc(S(=O)(=O)Nc3cccc(CC(=O)O)c3)cc2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.007 | ||
CHEMBL1819604 | 71579 | 0 | None | -32 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 468 | 8 | 2 | 6 | 3.4 | CN1C[C@@H](COc2ccc(S(=O)(=O)Nc3cccc(CC(=O)O)c3)cc2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.007 | ||
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 | ||
10185612 | 71187 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 504 | 6 | 1 | 6 | 5.2 | Cc1c(CC(=O)O)c2cc(Cl)ccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813117 | 71187 | 0 | None | -1 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 504 | 6 | 1 | 6 | 5.2 | Cc1c(CC(=O)O)c2cc(Cl)ccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 | 10.1016/j.bmc.2011.06.014 | ||
11392403 | 11322 | 5 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 299 | 4 | 2 | 5 | 3.2 | COc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL10241 | 11322 | 5 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 299 | 4 | 2 | 5 | 3.2 | COc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
11739220 | 213437 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 337 | 3 | 2 | 4 | 4.2 | FC(F)(F)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL8935 | 213437 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 337 | 3 | 2 | 4 | 4.2 | FC(F)(F)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
11336790 | 214981 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 341 | 5 | 2 | 6 | 3.4 | CCOC(=O)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9846 | 214981 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 341 | 5 | 2 | 6 | 3.4 | CCOC(=O)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
11403716 | 11014 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 296 | 4 | 2 | 5 | 2.8 | COc1ccc(N(C)c2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL10044 | 11014 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 296 | 4 | 2 | 5 | 2.8 | COc1ccc(N(C)c2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
11244046 | 11018 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 317 | 4 | 2 | 4 | 3.5 | Clc1ccc(Sc2ccc(CNC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL10045 | 11018 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 317 | 4 | 2 | 4 | 3.5 | Clc1ccc(Sc2ccc(CNC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
11460734 | 215229 | 5 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 298 | 5 | 1 | 4 | 3.4 | COc1ccc(Sc2ccc(CC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9999 | 215229 | 5 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 298 | 5 | 1 | 4 | 3.4 | COc1ccc(Sc2ccc(CC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
44234032 | 154703 | 0 | None | -7 | 6 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3933704 | 154703 | 0 | None | -7 | 6 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
44304058 | 209956 | 0 | None | -223 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 374 | 13 | 3 | 6 | 2.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCOCC(=O)O | 10.1016/s0960-894x(01)00364-x | ||
CHEMBL64254 | 209956 | 0 | None | -223 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 374 | 13 | 3 | 6 | 2.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCOCC(=O)O | 10.1016/s0960-894x(01)00364-x | ||
21893828 | 71216 | 0 | None | -234 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 482 | 7 | 1 | 5 | 5.4 | CCN1c2ccccc2CC1COc1ccc(C(=O)n2c(C)c(CC(=O)O)c3ccccc32)c(C)c1 | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813288 | 71216 | 0 | None | -234 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 482 | 7 | 1 | 5 | 5.4 | CCN1c2ccccc2CC1COc1ccc(C(=O)n2c(C)c(CC(=O)O)c3ccccc32)c(C)c1 | 10.1016/j.bmc.2011.06.014 | ||
56681899 | 71217 | 0 | None | -97 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 473 | 6 | 1 | 5 | 5.3 | Cc1cc(OC[C@@H]2COc3ccccc32)ccc1C(=O)n1c(C)c(CC(=O)O)c2cc(F)ccc21 | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813289 | 71217 | 0 | None | -97 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 473 | 6 | 1 | 5 | 5.3 | Cc1cc(OC[C@@H]2COc3ccccc32)ccc1C(=O)n1c(C)c(CC(=O)O)c2cc(F)ccc21 | 10.1016/j.bmc.2011.06.014 | ||
57401554 | 75019 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 536 | 7 | 2 | 5 | 5.7 | CN1C[C@@H](COc2ccc(C(=O)Nc3cc(C(F)(F)C(=O)O)ccc3Cl)c(Cl)c2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.065 | ||
CHEMBL1915866 | 75019 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 536 | 7 | 2 | 5 | 5.7 | CN1C[C@@H](COc2ccc(C(=O)Nc3cc(C(F)(F)C(=O)O)ccc3Cl)c(Cl)c2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.065 | ||
11294449 | 75001 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 474 | 7 | 2 | 5 | 4.8 | Cc1ccc(CC(=O)O)cc1NC(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)c(C)c1C | 10.1016/j.bmc.2011.08.065 | ||
CHEMBL1915673 | 75001 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 474 | 7 | 2 | 5 | 4.8 | Cc1ccc(CC(=O)O)cc1NC(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)c(C)c1C | 10.1016/j.bmc.2011.08.065 | ||
9874010 | 213969 | 0 | None | -3090 | 8 | Human | 4.3 | pKi | = | 4.3 | 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 | -3090 | 8 | Human | 4.3 | pKi | = | 4.3 | 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 | ||
11261579 | 74373 | 0 | None | -117 | 2 | Human | 6.3 | pKi | = | 6.3 | 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 | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 462 | 10 | 2 | 5 | 5.6 | CC(SCCc1c(CO)oc2c(OCC(=O)O)cccc12)(c1ccccc1)c1ccccc1 | 10.1021/jm050194z | ||
10028418 | 21444 | 3 | None | 17 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.042 | ||
CHEMBL1205677 | 21444 | 3 | None | 17 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.042 | ||
CHEMBL132589 | 21444 | 3 | None | 17 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.042 | ||
10028418 | 21444 | 3 | None | 17 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.047 | ||
CHEMBL1205677 | 21444 | 3 | None | 17 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.047 | ||
CHEMBL132589 | 21444 | 3 | None | 17 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.047 | ||
10028418 | 21444 | 3 | None | 17 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2003.09.054 | ||
CHEMBL1205677 | 21444 | 3 | None | 17 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2003.09.054 | ||
CHEMBL132589 | 21444 | 3 | None | 17 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2003.09.054 | ||
10028418 | 21444 | 3 | None | 17 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.076 | ||
CHEMBL1205677 | 21444 | 3 | None | 17 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.076 | ||
CHEMBL132589 | 21444 | 3 | None | 17 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2005.04.076 | ||
10028418 | 21444 | 3 | None | 17 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1021/jm050085k | ||
CHEMBL1205677 | 21444 | 3 | None | 17 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1021/jm050085k | ||
CHEMBL132589 | 21444 | 3 | None | 17 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1021/jm050085k | ||
11293771 | 74443 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 446 | 11 | 1 | 4 | 6.4 | O=C(O)COc1cccc2c(CCSCCC(c3ccccc3)c3ccccc3)coc12 | 10.1021/jm050194z | ||
CHEMBL190735 | 74443 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 446 | 11 | 1 | 4 | 6.4 | O=C(O)COc1cccc2c(CCSCCC(c3ccccc3)c3ccccc3)coc12 | 10.1021/jm050194z | ||
56664920 | 71210 | 0 | None | -26 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 471 | 6 | 1 | 6 | 4.8 | Cc1cc(OC[C@@H]2COc3ccccc3O2)ccc1C(=O)n1c(C)c(CC(=O)O)c2ccccc21 | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813282 | 71210 | 0 | None | -26 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 471 | 6 | 1 | 6 | 4.8 | Cc1cc(OC[C@@H]2COc3ccccc3O2)ccc1C(=O)n1c(C)c(CC(=O)O)c2ccccc21 | 10.1016/j.bmc.2011.06.014 | ||
11201307 | 74665 | 0 | None | -21 | 2 | Human | 6.2 | pKi | = | 6.2 | 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 | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 432 | 9 | 1 | 4 | 6.1 | CC(SCCc1coc2c(OCC(=O)O)cccc12)(c1ccccc1)c1ccccc1 | 10.1021/jm050194z | ||
11750835 | 74223 | 0 | None | 5 | 2 | Human | 6.2 | pKi | = | 6.2 | 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 | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 432 | 10 | 1 | 4 | 6.4 | O=C(O)COc1cccc2c(CSCCC(c3ccccc3)c3ccccc3)coc12 | 10.1021/jm050194z | ||
11454655 | 74548 | 0 | None | -79 | 2 | Human | 5.2 | pKi | = | 5.2 | 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 | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 490 | 12 | 2 | 5 | 6.1 | CC(SCCc1c(CCCO)oc2c(OCC(=O)O)cccc12)(c1ccccc1)c1ccccc1 | 10.1021/jm050194z | ||
11519006 | 109263 | 0 | None | 151 | 6 | Human | 8.2 | pKi | = | 8.2 | 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 | 8.2 | pKi | = | 8.2 | 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 | 8.2 | pKi | = | 8.2 | 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 | ||
138107701 | 194243 | 46 | None | -5 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 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 | 10.1016/j.bmcl.2005.04.042 | ||
5311181 | 194243 | 46 | None | -5 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 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 | 10.1016/j.bmcl.2005.04.042 | ||
CHEMBL494 | 194243 | 46 | None | -5 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 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 | 10.1016/j.bmcl.2005.04.042 | ||
DB01088 | 194243 | 46 | None | -5 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 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 | 10.1016/j.bmcl.2005.04.042 | ||
138107701 | 194243 | 46 | None | -5 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 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 | 10.1016/j.bmcl.2003.09.054 | ||
5311181 | 194243 | 46 | None | -5 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 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 | 10.1016/j.bmcl.2003.09.054 | ||
CHEMBL494 | 194243 | 46 | None | -5 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 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 | 10.1016/j.bmcl.2003.09.054 | ||
DB01088 | 194243 | 46 | None | -5 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 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 | 10.1016/j.bmcl.2003.09.054 | ||
10028418 | 21444 | 3 | None | 17 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL1205677 | 21444 | 3 | None | 17 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL132589 | 21444 | 3 | None | 17 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 465 | 8 | 1 | 4 | 6.9 | O=C(O)COc1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
9955802 | 75959 | 0 | None | -112 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 435 | 6 | 1 | 3 | 7.1 | O=C(O)c1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1021/jm050085k | ||
CHEMBL192613 | 75959 | 0 | None | -112 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 435 | 6 | 1 | 3 | 7.1 | O=C(O)c1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1021/jm050085k | ||
11404217 | 104894 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 313 | 4 | 2 | 5 | 3.6 | COc1ccc(Sc2ccc(NC3=NC(C)CN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL273530 | 104894 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 313 | 4 | 2 | 5 | 3.6 | COc1ccc(Sc2ccc(NC3=NC(C)CN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
11473193 | 105124 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 337 | 3 | 2 | 4 | 4.5 | Clc1cccc(Cl)c1Sc1ccc(NC2=NCCN2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL275124 | 105124 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 337 | 3 | 2 | 4 | 4.5 | Clc1cccc(Cl)c1Sc1ccc(NC2=NCCN2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
11381211 | 214521 | 4 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 4 | 2 | 2 | 4.2 | CC/N=C(\N)Nc1ccc(Sc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9580 | 214521 | 4 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 305 | 4 | 2 | 2 | 4.2 | CC/N=C(\N)Nc1ccc(Sc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
11370857 | 214640 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 327 | 4 | 2 | 5 | 4.0 | COc1ccc(Sc2ccc(NC3=NC(C)(C)CN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9648 | 214640 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 327 | 4 | 2 | 5 | 4.0 | COc1ccc(Sc2ccc(NC3=NC(C)(C)CN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
11267409 | 214643 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 327 | 3 | 2 | 6 | 3.0 | c1cc(Sc2ccc3c(c2)OCCO3)ccc1NC1=NCCN1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9649 | 214643 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 327 | 3 | 2 | 6 | 3.0 | c1cc(Sc2ccc3c(c2)OCCO3)ccc1NC1=NCCN1 | 10.1016/j.bmcl.2003.10.070 | ||
11174065 | 215018 | 3 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 299 | 4 | 2 | 5 | 3.2 | COc1ccc(Sc2ccccc2NC2=NCCN2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9868 | 215018 | 3 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 299 | 4 | 2 | 5 | 3.2 | COc1ccc(Sc2ccccc2NC2=NCCN2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
11224239 | 71578 | 0 | None | -20 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 432 | 7 | 2 | 5 | 3.8 | CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(=O)O)c3)cc2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.065 | ||
CHEMBL1819603 | 71578 | 0 | None | -20 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 432 | 7 | 2 | 5 | 3.8 | CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(=O)O)c3)cc2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.065 | ||
11224239 | 71578 | 0 | None | -20 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 432 | 7 | 2 | 5 | 3.8 | CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(=O)O)c3)cc2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.007 | ||
CHEMBL1819603 | 71578 | 0 | None | -20 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 432 | 7 | 2 | 5 | 3.8 | CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(=O)O)c3)cc2)Oc2ccccc21 | 10.1016/j.bmc.2011.08.007 | ||
3356 | 9060 | 73 | None | -331 | 8 | Human | 5.2 | pKi | = | 5.2 | 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 | -331 | 8 | Human | 5.2 | pKi | = | 5.2 | 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 | -331 | 8 | Human | 5.2 | pKi | = | 5.2 | 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 | -331 | 8 | Human | 5.2 | pKi | = | 5.2 | 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 | -331 | 8 | Human | 5.2 | pKi | = | 5.2 | 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 | ||
11166017 | 73913 | 0 | None | 3 | 2 | Human | 6.2 | pKi | = | 6.2 | 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 | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 418 | 9 | 1 | 4 | 6.0 | O=C(O)COc1cccc2c(CSCC(c3ccccc3)c3ccccc3)coc12 | 10.1021/jm050194z | ||
44234032 | 154703 | 0 | None | 7 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3933704 | 154703 | 0 | None | 7 | 6 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 415 | 8 | 1 | 4 | 5.0 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
138107701 | 194243 | 46 | None | -5 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 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 | 10.1021/jm8007618 | ||
5311181 | 194243 | 46 | None | -5 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 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 | 10.1021/jm8007618 | ||
CHEMBL494 | 194243 | 46 | None | -5 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 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 | 10.1021/jm8007618 | ||
DB01088 | 194243 | 46 | None | -5 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 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 | 10.1021/jm8007618 | ||
11743212 | 23936 | 0 | None | -234 | 7 | Human | 6.2 | pKi | = | 6.2 | 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 | -234 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 6.8 | O=C(O)C1CC1c1ccccc1-c1csc(-c2ccccc2OCc2ccccc2)c1 | 10.1016/s0960-894x(03)00794-7 | ||
10227894 | 71194 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 484 | 6 | 1 | 6 | 4.9 | Cc1cc(C(=O)n2c(C)c(CC(=O)O)c3ccccc32)ccc1OC[C@@H]1CN(C)c2ccccc2O1 | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813123 | 71194 | 0 | None | 1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 484 | 6 | 1 | 6 | 4.9 | Cc1cc(C(=O)n2c(C)c(CC(=O)O)c3ccccc32)ccc1OC[C@@H]1CN(C)c2ccccc2O1 | 10.1016/j.bmc.2011.06.014 | ||
10181606 | 213130 | 0 | None | -288 | 7 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 437 | 5 | 1 | 4 | 5.2 | O=C(/C=C/c1ccccc1-c1ccc(Cl)c(Cl)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | ||
CHEMBL87371 | 213130 | 0 | None | -288 | 7 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 437 | 5 | 1 | 4 | 5.2 | O=C(/C=C/c1ccccc1-c1ccc(Cl)c(Cl)c1)NS(=O)(=O)c1cccs1 | 10.1016/s0960-894x(02)00518-8 | ||
44304388 | 209931 | 0 | None | -1513 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | ||
CHEMBL64187 | 209931 | 0 | None | -1513 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | ||
11282319 | 74438 | 0 | None | -8 | 2 | Human | 6.1 | pKi | = | 6.1 | 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 | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 448 | 10 | 2 | 5 | 5.5 | O=C(O)COc1cccc2c(CCSC(c3ccccc3)c3ccccc3)c(CO)oc12 | 10.1021/jm050194z | ||
44219292 | 119359 | 38 | None | -25 | 7 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3301604 | 119359 | 38 | None | -25 | 7 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
CHEMBL3919269 | 119359 | 38 | None | -25 | 7 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
DB12462 | 119359 | 38 | None | -25 | 7 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 431 | 8 | 1 | 4 | 5.5 | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 | 10.1021/acs.jmedchem.6b00871 | ||
10139047 | 19605 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 454 | 8 | 1 | 5 | 5.8 | O=C(O)COc1cccc(CN2CCC[C@@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL1188479 | 19605 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 454 | 8 | 1 | 5 | 5.8 | O=C(O)COc1cccc(CN2CCC[C@@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
CHEMBL439357 | 19605 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 454 | 8 | 1 | 5 | 5.8 | O=C(O)COc1cccc(CN2CCC[C@@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 | 10.1016/j.bmcl.2006.06.076 | ||
11318288 | 74726 | 0 | None | -5 | 2 | Human | 6.1 | pKi | = | 6.1 | 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 | 6.1 | pKi | = | 6.1 | 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 | ||
11186079 | 10982 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 313 | 4 | 2 | 5 | 3.6 | COc1ccc(Sc2ccc(NC3=NCCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL10024 | 10982 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 313 | 4 | 2 | 5 | 3.6 | COc1ccc(Sc2ccc(NC3=NCCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
11175906 | 214147 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 362 | 5 | 3 | 6 | 2.6 | CS(=O)(=O)Nc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9371 | 214147 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 362 | 5 | 3 | 6 | 2.6 | CS(=O)(=O)Nc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
11243628 | 215040 | 4 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 303 | 3 | 2 | 4 | 3.9 | Clc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9883 | 215040 | 4 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 303 | 3 | 2 | 4 | 3.9 | Clc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
11391560 | 174522 | 5 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 269 | 3 | 2 | 4 | 3.2 | c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL430286 | 174522 | 5 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 269 | 3 | 2 | 4 | 3.2 | c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 | 10.1016/j.bmcl.2003.10.070 | ||
11244380 | 214591 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 329 | 5 | 2 | 6 | 3.2 | COc1ccc(OC)c(Sc2ccc(NC3=NCCN3)cc2)c1 | 10.1016/j.bmcl.2003.10.070 | ||
CHEMBL9626 | 214591 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 329 | 5 | 2 | 6 | 3.2 | COc1ccc(OC)c(Sc2ccc(NC3=NCCN3)cc2)c1 | 10.1016/j.bmcl.2003.10.070 | ||
5855 | 8426 | 7 | None | 257 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 447 | 7 | 2 | 5 | 4.3 | OC(=O)COc1cccc2c1CC[C@](C2)(O)COC(=O)N(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2005.04.047 | ||
9911469 | 8426 | 7 | None | 257 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 447 | 7 | 2 | 5 | 4.3 | OC(=O)COc1cccc2c1CC[C@](C2)(O)COC(=O)N(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2005.04.047 | ||
CHEMBL196779 | 8426 | 7 | None | 257 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 447 | 7 | 2 | 5 | 4.3 | OC(=O)COc1cccc2c1CC[C@](C2)(O)COC(=O)N(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2005.04.047 | ||
11407826 | 130424 | 0 | None | 38 | 2 | Human | 7.1 | pKi | = | 7.1 | 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 | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 432 | 10 | 1 | 4 | 6.0 | O=C(O)COc1cccc2c(CCSCC(c3ccccc3)c3ccccc3)coc12 | 10.1021/jm050194z | ||
44326793 | 21426 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 398 | 8 | 3 | 4 | 3.3 | CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)O)c3OC2C[C@H]1O | 10.1016/s0960-894x(00)00571-0 | ||
CHEMBL1205415 | 21426 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 398 | 8 | 3 | 4 | 3.3 | CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)O)c3OC2C[C@H]1O | 10.1016/s0960-894x(00)00571-0 | ||
CHEMBL94694 | 21426 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 398 | 8 | 3 | 4 | 3.3 | CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)O)c3OC2C[C@H]1O | 10.1016/s0960-894x(00)00571-0 | ||
13231966 | 107728 | 0 | None | -1230 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.2 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | ||
CHEMBL294108 | 107728 | 0 | None | -1230 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.2 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | ||
1892 | 7534 | 20 | None | -104 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 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 | 10.1021/jm401431x | ||
25886893 | 7534 | 20 | None | -104 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 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 | 10.1021/jm401431x | ||
CHEMBL1628262 | 7534 | 20 | None | -104 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 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 | 10.1021/jm401431x | ||
44304181 | 210052 | 0 | None | -12 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 394 | 13 | 3 | 4 | 4.3 | CCCC1([C@@H](O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
CHEMBL64663 | 210052 | 0 | None | -12 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 394 | 13 | 3 | 4 | 4.3 | CCCC1([C@@H](O)C/C=C/C2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)CCC1 | 10.1016/s0960-894x(01)00359-6 | ||
13231966 | 107728 | 0 | None | -1230 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.2 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O | 10.1016/s0960-894x(01)00364-x | ||
CHEMBL294108 | 107728 | 0 | None | -1230 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.2 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)O | 10.1016/s0960-894x(01)00364-x | ||
56675229 | 71195 | 0 | None | 4 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 504 | 6 | 1 | 6 | 5.2 | Cc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)c(Cl)c1 | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813124 | 71195 | 0 | None | 4 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 504 | 6 | 1 | 6 | 5.2 | Cc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)c(Cl)c1 | 10.1016/j.bmc.2011.06.014 | ||
10278907 | 71192 | 0 | None | -20 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 504 | 6 | 1 | 6 | 5.2 | Cc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1Cl | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813121 | 71192 | 0 | None | -20 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 504 | 6 | 1 | 6 | 5.2 | Cc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1Cl | 10.1016/j.bmc.2011.06.014 | ||
44304474 | 209710 | 0 | None | -245 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCSCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | ||
CHEMBL62868 | 209710 | 0 | None | -245 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 372 | 13 | 3 | 5 | 3.0 | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCSCCC(=O)O | 10.1016/s0960-894x(01)00365-1 | ||
56681898 | 71209 | 0 | None | -6 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 516 | 6 | 1 | 6 | 5.3 | Cc1cc(C(=O)n2c(C)c(CC(=O)O)c3cc(F)ccc32)c(C)cc1OC[C@@H]1CN(C)c2ccccc2O1 | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813281 | 71209 | 0 | None | -6 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 516 | 6 | 1 | 6 | 5.3 | Cc1cc(C(=O)n2c(C)c(CC(=O)O)c3cc(F)ccc32)c(C)cc1OC[C@@H]1CN(C)c2ccccc2O1 | 10.1016/j.bmc.2011.06.014 | ||
56678559 | 71202 | 0 | None | 3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 5.2 | Cc1cc(C(=O)n2c(C)c(CC(=O)O)c3ccccc32)c(C)cc1OC[C@@H]1CN(C)c2ccccc2O1 | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813274 | 71202 | 0 | None | 3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 5.2 | Cc1cc(C(=O)n2c(C)c(CC(=O)O)c3ccccc32)c(C)cc1OC[C@@H]1CN(C)c2ccccc2O1 | 10.1016/j.bmc.2011.06.014 | ||
9934864 | 214325 | 12 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 480 | 8 | 1 | 5 | 4.7 | O=C(O)COc1cccc2c1CC[C@H](Cn1nc(C(c3ccccc3)c3ccccc3)ccc1=O)C2 | 10.1016/s0960-894x(00)00571-0 | ||
CHEMBL94751 | 214325 | 12 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 480 | 8 | 1 | 5 | 4.7 | O=C(O)COc1cccc2c1CC[C@H](Cn1nc(C(c3ccccc3)c3ccccc3)ccc1=O)C2 | 10.1016/s0960-894x(00)00571-0 | ||
10117702 | 71201 | 0 | None | 3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 5.2 | Cc1c(OC[C@@H]2CN(C)c3ccccc3O2)ccc(C(=O)n2c(C)c(CC(=O)O)c3ccccc32)c1C | 10.1016/j.bmc.2011.06.014 | ||
CHEMBL1813273 | 71201 | 0 | None | 3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 5.2 | Cc1c(OC[C@@H]2CN(C)c3ccccc3O2)ccc(C(=O)n2c(C)c(CC(=O)O)c3ccccc32)c1C | 10.1016/j.bmc.2011.06.014 | ||
127029417 | 146213 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 396 | 8 | 1 | 4 | 3.2 | Cc1ccc(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2ccccc2)cc1 | 10.1016/j.bmcl.2016.03.009 | ||
CHEMBL3793911 | 146213 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 396 | 8 | 1 | 4 | 3.2 | Cc1ccc(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2ccccc2)cc1 | 10.1016/j.bmcl.2016.03.009 | ||
10501053 | 8368 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | Guide to Pharmacology | 398 | 8 | 3 | 4 | 3.3 | CC#CC[C@@H]([C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1c1cccc(c1O2)CCCC(=O)O)O)C | 2665758 | ||
8314 | 8368 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | Guide to Pharmacology | 398 | 8 | 3 | 4 | 3.3 | CC#CC[C@@H]([C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1c1cccc(c1O2)CCCC(=O)O)O)C | 2665758 | ||
CHEMBL3137314 | 8368 | 0 | None | - | 1 | Human | 7.9 | pKd | = | 7.9 | Binding | Guide to Pharmacology | 398 | 8 | 3 | 4 | 3.3 | CC#CC[C@@H]([C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1c1cccc(c1O2)CCCC(=O)O)O)C | 2665758 | ||
1968 | 10526 | 0 | None | - | 1 | Human | 9.1 | pKd | = | 9.1 | Binding | Guide to Pharmacology | 398 | 5 | 3 | 4 | 4.0 | O[C@@H]1C[C@H]2[C@@H]([C@H]1/C=C/[C@H](C1CCCCC1)O)C/C(=C/c1cccc(c1)C(=O)O)/O2 | 22480736 | ||
5311243 | 10526 | 0 | None | - | 1 | Human | 9.1 | pKd | = | 9.1 | Binding | Guide to Pharmacology | 398 | 5 | 3 | 4 | 4.0 | O[C@@H]1C[C@H]2[C@@H]([C@H]1/C=C/[C@H](C1CCCCC1)O)C/C(=C/c1cccc(c1)C(=O)O)/O2 | 22480736 | ||
CHEMBL2104890 | 10526 | 0 | None | - | 1 | Human | 9.1 | pKd | = | 9.1 | Binding | Guide to Pharmacology | 398 | 5 | 3 | 4 | 4.0 | O[C@@H]1C[C@H]2[C@@H]([C@H]1/C=C/[C@H](C1CCCCC1)O)C/C(=C/c1cccc(c1)C(=O)O)/O2 | 22480736 | ||
1917 | 7714 | 0 | 3H-ILOPROST | 1 | 9 | Mouse | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | ||
5311044 | 7714 | 0 | 3H-ILOPROST | 1 | 9 | Mouse | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | ||
631 | 7714 | 0 | 3H-ILOPROST | 1 | 9 | Mouse | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | ||
CHEMBL160629 | 7714 | 0 | 3H-ILOPROST | 1 | 9 | Mouse | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | ||
119461 | 7108 | 72 | 3H-ILOPROST | -30 | 10 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | None | ||
1896 | 7108 | 72 | 3H-ILOPROST | -30 | 10 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | None | ||
CHEMBL1317823 | 7108 | 72 | 3H-ILOPROST | -30 | 10 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 298 | 3 | 1 | 4 | 3.4 | CC(Oc1ccc2c(c1)oc1c(c2=O)cc(cc1)C(=O)O)C | None | ||
119304 | 7539 | 0 | 3H-ILOPROST | -14125 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 368 | 11 | 3 | 4 | 2.7 | OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O | None | ||
1878 | 7539 | 0 | 3H-ILOPROST | -14125 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 368 | 11 | 3 | 4 | 2.7 | OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O | None | ||
40481312 | 7539 | 0 | 3H-ILOPROST | -14125 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 368 | 11 | 3 | 4 | 2.7 | OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O | None | ||
CHEMBL575504 | 7539 | 0 | 3H-ILOPROST | -14125 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 368 | 11 | 3 | 4 | 2.7 | OC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O | None | ||
1940 | 8444 | 41 | 3H-ILOPROST | -4168 | 10 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 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 | None | ||
3417 | 8444 | 41 | 3H-ILOPROST | -4168 | 10 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 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 | None | ||
5311100 | 8444 | 41 | 3H-ILOPROST | -4168 | 10 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 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 | None | ||
CHEMBL1201379 | 8444 | 41 | 3H-ILOPROST | -4168 | 10 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 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 | None | ||
DB11519 | 8444 | 41 | 3H-ILOPROST | -4168 | 10 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 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 | None | ||
1551 | 9066 | 0 | 3H-ILOPROST | -1412 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
1961 | 9066 | 0 | 3H-ILOPROST | -1412 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
5311221 | 9066 | 0 | 3H-ILOPROST | -1412 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
CHEMBL1051 | 9066 | 0 | 3H-ILOPROST | -1412 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
DB00654 | 9066 | 0 | 3H-ILOPROST | -1412 | 7 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 13 | 3 | 5 | 4.2 | O[C@@H](CCc1ccccc1)CC[C@H]1[C@H](O)C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O | None | ||
1913 | 9242 | 0 | 3H-ILOPROST | -70794 | 15 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 374 | 12 | 2 | 4 | 4.0 | OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@H](COc2ccccc2)O)CCC1=O | None | ||
5311223 | 9242 | 0 | 3H-ILOPROST | -70794 | 15 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 374 | 12 | 2 | 4 | 4.0 | OC(=O)CCCCCC[C@@H]1[C@@H](/C=C/[C@H](COc2ccccc2)O)CCC1=O | None | ||
1817 | 9320 | 68 | 3H-ILOPROST | -269 | 12 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | ||
1936 | 9320 | 68 | 3H-ILOPROST | -269 | 12 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | ||
5282381 | 9320 | 68 | 3H-ILOPROST | -269 | 12 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | ||
CHEMBL606 | 9320 | 68 | 3H-ILOPROST | -269 | 12 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | ||
DB00929 | 9320 | 68 | 3H-ILOPROST | -269 | 12 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 382 | 13 | 2 | 5 | 4.0 | CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C | None | ||
1881 | 9853 | 0 | 3H-ILOPROST | -4570 | 21 | Human | 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-ILOPROST | -4570 | 21 | Human | 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-ILOPROST | -4570 | 21 | Human | 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-ILOPROST | -4570 | 21 | Human | 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-ILOPROST | -4570 | 21 | Human | 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 | ||
1883 | 9856 | 75 | 3H-ILOPROST | -10000 | 24 | Human | 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 | ||
1883 | 9856 | 75 | 3H-PGI2 | -10000 | 24 | Human | 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 | ||
1883 | 9856 | 75 | 3H-PGI2 | -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-ILOPROST | -10000 | 24 | Human | 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-PGI2 | -10000 | 24 | Human | 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-PGI2 | -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-ILOPROST | -10000 | 24 | Human | 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-PGI2 | -10000 | 24 | Human | 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-PGI2 | -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-ILOPROST | -10000 | 24 | Human | 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-PGI2 | -10000 | 24 | Human | 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-PGI2 | -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-ILOPROST | -10000 | 24 | Human | 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-PGI2 | -10000 | 24 | Human | 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-PGI2 | -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-ILOPROST | -10000 | 24 | Human | 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-PGI2 | -10000 | 24 | Human | 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-PGI2 | -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-ILOPROST | -3019 | 22 | Human | 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 | ||
1884 | 9857 | 52 | 3H-PGI2 | -3019 | 22 | Human | 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 | ||
1884 | 9857 | 52 | 3H-PGI2 | -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-ILOPROST | -3019 | 22 | Human | 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-PGI2 | -3019 | 22 | Human | 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-PGI2 | -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-ILOPROST | -3019 | 22 | Human | 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-PGI2 | -3019 | 22 | Human | 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-PGI2 | -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-ILOPROST | -3019 | 22 | Human | 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-PGI2 | -3019 | 22 | Human | 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-PGI2 | -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-ILOPROST | -3019 | 22 | Human | 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-PGI2 | -3019 | 22 | Human | 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-PGI2 | -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 | ||
1980 | 10434 | 0 | 3H-ILOPROST | -10000 | 9 | Human | 5.0 | pKi | = | 5 | 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-ILOPROST | -10000 | 9 | Human | 5.0 | pKi | = | 5 | 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-ILOPROST | -10000 | 9 | Human | 5.0 | pKi | = | 5 | 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 | 3H-ILOPROST | -1000 | 17 | Human | 5.0 | pKi | = | 5 | 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-ILOPROST | -1000 | 17 | Human | 5.0 | pKi | = | 5 | 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-ILOPROST | -1000 | 17 | Human | 5.0 | pKi | = | 5 | 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-ILOPROST | -1000 | 17 | Human | 5.0 | pKi | = | 5 | 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 | ||
5311035 | 104579 | 29 | 3H-ILOPROST | -91 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 408 | 13 | 2 | 5 | 4.3 | CCCC1([C@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 | None | ||
CHEMBL271896 | 104579 | 29 | 3H-ILOPROST | -91 | 9 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 408 | 13 | 2 | 5 | 4.3 | CCCC1([C@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 | None | ||
1973 | 210262 | 15 | 3H-ILOPROST | -3 | 36 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
CHEMBL1394464 | 210262 | 15 | 3H-ILOPROST | -3 | 36 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
CHEMBL66089 | 210262 | 15 | 3H-ILOPROST | -3 | 36 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
134689669 | 222829 | 0 | 3H-ILOPROST | -5495 | 12 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 465 | 12 | 3 | 7 | 1.7 | CS(=O)(=O)NC(=O)CCCC=CCC1C(C(CC1=O)O)C=CC(COC2=CC=CC=C2)O | None | ||
91798918 | 222842 | 0 | 3H-ILOPROST | -1479 | 10 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 400 | 10 | 2 | 6 | 2.6 | COC(=O)CCC=C=CCC1C(C(CC1=O)O)C=CC(COC2=CC=CC=C2)O | None | ||
67861203 | 222844 | 0 | 3H-ILOPROST | -21379 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 424 | 11 | 4 | 5 | 3.2 | C1C(C(C(C1O)C=CC(COC2=CC(=CC=C2)Cl)O)CC=CCCCC(=O)O)O | None | ||
132748 | 223191 | 0 | 3H-ILOPROST | -7 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 458 | 3 | 2 | 4 | 4.6 | C1C2=CC=CC=C2OC3=C(N1C(=O)NNC(=O)CCC4=CC=NC=C4)C=C(C=C3)Cl.Cl | None | ||
None | 223193 | 0 | 3H-ILOPROST | -10 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 477 | 11 | 1 | 5 | 5.1 | C1CC(=O)CC1CCC(=CCC(C(=O)O)N2CCOCC2)OCC3=CC=C(C=C3)C4=CC=CC=C4 | None | ||
None | 223235 | 0 | Functional | -19 | 3 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 354 | 13 | 3 | 4 | 3.5 | CCCCCC(C=CC1C(C(CC1=O)O)CCCCCCC(=O)O)O | None | ||
None | 223235 | 0 | 3H-PGI2 | -19 | 3 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 354 | 13 | 3 | 4 | 3.5 | CCCCCC(C=CC1C(C(CC1=O)O)CCCCCCC(=O)O)O | None | ||
None | 223239 | 0 | 3H-PGI2 | 1 | 2 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 356 | 13 | 4 | 4 | 3.3 | CCCCCC(C=CC1C(CC(C1CCCCCCC(=O)O)O)O)O | None | ||
None | 223239 | 0 | 3H-PGI2 | -1 | 2 | Mouse | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 356 | 13 | 4 | 4 | 3.3 | CCCCCC(C=CC1C(CC(C1CCCCCCC(=O)O)O)O)O | None | ||
89077401 | 222823 | 0 | 3H-ILOPROST | -1 | 12 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | ||
89077401 | 222823 | 0 | 3H-ILOPROST | -1 | 12 | Mouse | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 360 | 8 | 3 | 3 | 3.5 | CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | ||
133126726 | 222824 | 0 | 3H-ILOPROST | -4 | 14 | Mouse | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | ||
24868263 | 222824 | 0 | 3H-ILOPROST | -4 | 14 | Mouse | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | ||
138 | 9855 | 88 | 3H-PGI2 | -165 | 18 | Human | 6.9 | pKi | = | 6.9 | 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 | ||
138 | 9855 | 88 | 3H-PGI2 | -32 | 18 | Mouse | 6.9 | pKi | = | 6.9 | 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 | ||
149351 | 9855 | 88 | 3H-PGI2 | -165 | 18 | Human | 6.9 | pKi | = | 6.9 | 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 | ||
149351 | 9855 | 88 | 3H-PGI2 | -32 | 18 | Mouse | 6.9 | pKi | = | 6.9 | 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-PGI2 | -165 | 18 | Human | 6.9 | pKi | = | 6.9 | 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-PGI2 | -32 | 18 | Mouse | 6.9 | pKi | = | 6.9 | 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-PGI2 | -165 | 18 | Human | 6.9 | pKi | = | 6.9 | 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-PGI2 | -32 | 18 | Mouse | 6.9 | pKi | = | 6.9 | 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-PGI2 | -165 | 18 | Human | 6.9 | pKi | = | 6.9 | 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-PGI2 | -32 | 18 | Mouse | 6.9 | pKi | = | 6.9 | 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-PGI2 | -165 | 18 | Human | 6.9 | pKi | = | 6.9 | 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-PGI2 | -32 | 18 | Mouse | 6.9 | pKi | = | 6.9 | 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 | ||
None | 222825 | 0 | 3H-ILOPROST | 2 | 3 | Mouse | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 350 | 11 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=C2)CCCCC(=O)O)O)O | None | ||
None | 222826 | 0 | 3H-ILOPROST | 6 | 2 | Mouse | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 398 | 8 | 3 | 4 | 3.3 | CC#CCC(C)C(C=CC1C(CC2C1C3=C(O2)C(=CC=C3)CCCC(=O)O)O)O | None | ||
133126726 | 222824 | 0 | 3H-PGI2 | -3 | 14 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | ||
133126726 | 222824 | 0 | 3H-PGI2 | -4 | 14 | Mouse | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | ||
24868263 | 222824 | 0 | 3H-PGI2 | -3 | 14 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | ||
24868263 | 222824 | 0 | 3H-PGI2 | -4 | 14 | Mouse | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | ||
1917 | 7714 | 0 | 3H-ILOPROST | -1 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | ||
5311044 | 7714 | 0 | 3H-ILOPROST | -1 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | ||
631 | 7714 | 0 | 3H-ILOPROST | -1 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | ||
CHEMBL160629 | 7714 | 0 | 3H-ILOPROST | -1 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | ||
None | 223192 | 0 | 3H-ILOPROST | -7079 | 6 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 384 | 9 | 3 | 3 | 4.3 | C1CCC(CC1)C(C=CC2C(CC(C2CC=CCCCC(=O)O)Cl)O)O | None | ||
133126726 | 222824 | 0 | 3H-ILOPROST | -3 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | ||
24868263 | 222824 | 0 | 3H-ILOPROST | -3 | 14 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | ||
138 | 9855 | 88 | 3H-ILOPROST | -32 | 18 | Mouse | 7.5 | pKi | = | 7.5 | 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 | ||
149351 | 9855 | 88 | 3H-ILOPROST | -32 | 18 | Mouse | 7.5 | pKi | = | 7.5 | 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-ILOPROST | -32 | 18 | Mouse | 7.5 | pKi | = | 7.5 | 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-ILOPROST | -32 | 18 | Mouse | 7.5 | pKi | = | 7.5 | 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-ILOPROST | -32 | 18 | Mouse | 7.5 | pKi | = | 7.5 | 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-ILOPROST | -32 | 18 | Mouse | 7.5 | pKi | = | 7.5 | 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 | ||
None | 222827 | 0 | 3H-ILOPROST | 15 | 2 | Mouse | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 442 | 9 | 1 | 5 | 5.1 | CC1=C(C2=C(CC1)C(=CC=C2)OCC(=O)O)CCON=C(C3=CC=CC=C3)C4=CN=CC=C4 | None | ||
3356 | 9060 | 73 | None | -331 | 8 | Human | 8.3 | pKi | = | 8.3 | 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 | -331 | 8 | Human | 8.3 | pKi | = | 8.3 | 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 | -331 | 8 | Human | 8.3 | pKi | = | 8.3 | 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 | -331 | 8 | Human | 8.3 | pKi | = | 8.3 | 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 | -331 | 8 | Human | 8.3 | pKi | = | 8.3 | 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 | ||
5077 | 10351 | 79 | None | -20 | 4 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | None | ||
7552 | 10351 | 79 | None | -20 | 4 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | None | ||
9913767 | 10351 | 79 | None | -20 | 4 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | None | ||
CHEMBL238804 | 10351 | 79 | None | -20 | 4 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | None | ||
DB11362 | 10351 | 79 | None | -20 | 4 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | None | ||
138 | 9855 | 88 | None | -32 | 18 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 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 | ||
149351 | 9855 | 88 | None | -32 | 18 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 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 | None | -32 | 18 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 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 | None | -32 | 18 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 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 | None | -32 | 18 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 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 | None | -32 | 18 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 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 | ||
5077 | 10351 | 79 | None | -8 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | None | ||
7552 | 10351 | 79 | None | -8 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | None | ||
9913767 | 10351 | 79 | None | -8 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | None | ||
CHEMBL238804 | 10351 | 79 | None | -8 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | None | ||
DB11362 | 10351 | 79 | None | -8 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | None | ||
69658829 | 224476 | 0 | None | -1 | 4 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 398 | 8 | 3 | 4 | 3.3 | CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2OC3=C(C=CC=C3CCCC(O)=O)[C@H]12 | None | ||
1917 | 7714 | 0 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | ||
5311044 | 7714 | 0 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | ||
631 | 7714 | 0 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | ||
CHEMBL160629 | 7714 | 0 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | ||
133126726 | 222824 | 0 | None | -3 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | ||
24868263 | 222824 | 0 | None | -3 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 350 | 10 | 3 | 3 | 4.1 | CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O | None | ||
69658829 | 224476 | 0 | None | -1 | 4 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 398 | 8 | 3 | 4 | 3.3 | CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2OC3=C(C=CC=C3CCCC(O)=O)[C@H]12 | None | ||
None | 223238 | 0 | 3H-PGI2 | 1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 354 | 11 | 3 | 4 | 3.3 | CCCCCC(C=CC1C2CC(OC2CC1O)CCCCC(=O)O)O | None | ||
None | 223238 | 0 | 3H-PGI2 | -1 | 2 | Mouse | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 354 | 11 | 3 | 4 | 3.3 | CCCCCC(C=CC1C2CC(OC2CC1O)CCCCC(=O)O)O | None | ||
1917 | 7714 | 0 | None | 1 | 9 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | ||
5311044 | 7714 | 0 | None | 1 | 9 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | ||
631 | 7714 | 0 | None | 1 | 9 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | ||
CHEMBL160629 | 7714 | 0 | None | 1 | 9 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | None | ||
138107701 | 194243 | 46 | None | -7 | 15 | Mouse | 8.1 | pKi | = | 8.1 | 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 | -7 | 15 | Mouse | 8.1 | pKi | = | 8.1 | 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 | -7 | 15 | Mouse | 8.1 | pKi | = | 8.1 | 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 | ||
DB01088 | 194243 | 46 | None | -7 | 15 | Mouse | 8.1 | pKi | = | 8.1 | 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 | ||
5077 | 10351 | 79 | None | -20 | 4 | Rat | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 17545310 | ||
7552 | 10351 | 79 | None | -20 | 4 | Rat | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 17545310 | ||
9913767 | 10351 | 79 | None | -20 | 4 | Rat | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 17545310 | ||
CHEMBL238804 | 10351 | 79 | None | -20 | 4 | Rat | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 17545310 | ||
DB11362 | 10351 | 79 | None | -20 | 4 | Rat | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 17545310 | ||
5077 | 10351 | 79 | None | -8 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 17545310 | ||
7552 | 10351 | 79 | None | -8 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 17545310 | ||
9913767 | 10351 | 79 | None | -8 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 17545310 | ||
CHEMBL238804 | 10351 | 79 | None | -8 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 17545310 | ||
DB11362 | 10351 | 79 | None | -8 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 496 | 12 | 1 | 7 | 3.9 | O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 17545310 | ||
138 | 9855 | 88 | None | -165 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 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 | 11454473 | ||
138 | 9855 | 88 | None | -165 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 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 | 17704830 | ||
149351 | 9855 | 88 | None | -165 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 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 | 11454473 | ||
149351 | 9855 | 88 | None | -165 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 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 | 17704830 | ||
1882 | 9855 | 88 | None | -165 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 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 | 11454473 | ||
1882 | 9855 | 88 | None | -165 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 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 | 17704830 | ||
5280723 | 9855 | 88 | None | -165 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 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 | 11454473 | ||
5280723 | 9855 | 88 | None | -165 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 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 | 17704830 | ||
CHEMBL495 | 9855 | 88 | None | -165 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 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 | 11454473 | ||
CHEMBL495 | 9855 | 88 | None | -165 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 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 | 17704830 | ||
DB00770 | 9855 | 88 | None | -165 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 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 | 11454473 | ||
DB00770 | 9855 | 88 | None | -165 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 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 | 17704830 | ||
5852 | 9395 | 55 | None | -10 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 17545310 | ||
9931891 | 9395 | 55 | None | -10 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 17545310 | ||
CHEMBL239226 | 9395 | 55 | None | -10 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 17545310 | ||
10204312 | 10121 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 451 | 7 | 2 | 4 | 5.3 | Fc1ccc(cc1)CC(C(=O)O)NC(=O)OCc1cc2c(o1)ccc(c2)c1ccc(cc1)F | 16331286 | ||
4042 | 10121 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | Guide to Pharmacology | 451 | 7 | 2 | 4 | 5.3 | Fc1ccc(cc1)CC(C(=O)O)NC(=O)OCc1cc2c(o1)ccc(c2)c1ccc(cc1)F | 16331286 | ||
10141039 | 8468 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 465 | 8 | 1 | 4 | 6.9 | OC(=O)COc1cccc(c1)CC1CCCC=C1c1nc(c(o1)c1ccccc1)c1ccccc1 | 16837197 | ||
5854 | 8468 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 465 | 8 | 1 | 4 | 6.9 | OC(=O)COc1cccc(c1)CC1CCCC=C1c1nc(c(o1)c1ccccc1)c1ccccc1 | 16837197 | ||
1967 | 7388 | 0 | None | -2 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 398 | 8 | 3 | 4 | 3.3 | CC#CCC(C(/C=C/C1C(O)CC2C1c1cccc(c1O2)CCCC(=O)O)O)C | 17545310 | ||
5282428 | 7388 | 0 | None | -2 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 398 | 8 | 3 | 4 | 3.3 | CC#CCC(C(/C=C/C1C(O)CC2C1c1cccc(c1O2)CCCC(=O)O)O)C | 17545310 | ||
2720 | 10626 | 59 | None | -5 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | ||
5820 | 10626 | 59 | None | -5 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | ||
6918140 | 10626 | 59 | None | -5 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | ||
CHEMBL1237119 | 10626 | 59 | None | -5 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | ||
DB00374 | 10626 | 59 | None | -5 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 390 | 10 | 3 | 4 | 3.6 | CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O | 22480736 | ||
5852 | 9395 | 55 | None | 10 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 17545310 | ||
5852 | 9395 | 55 | None | 10 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 23850788 | ||
9931891 | 9395 | 55 | None | 10 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 17545310 | ||
9931891 | 9395 | 55 | None | 10 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 23850788 | ||
CHEMBL239226 | 9395 | 55 | None | 10 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 17545310 | ||
CHEMBL239226 | 9395 | 55 | None | 10 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 419 | 11 | 1 | 5 | 4.9 | OC(=O)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C | 23850788 | ||
1967 | 7388 | 0 | None | -1 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 398 | 8 | 3 | 4 | 3.3 | CC#CCC(C(/C=C/C1C(O)CC2C1c1cccc(c1O2)CCCC(=O)O)O)C | 17545310 | ||
5282428 | 7388 | 0 | None | -1 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 398 | 8 | 3 | 4 | 3.3 | CC#CCC(C(/C=C/C1C(O)CC2C1c1cccc(c1O2)CCCC(=O)O)O)C | 17545310 | ||
1895 | 8788 | 0 | None | -1 | 16 | Human | 7.8 | pKi | = | 7.8 | 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 | ||
1895 | 8788 | 0 | None | -1 | 16 | Human | 7.8 | pKi | = | 7.8 | 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 | 16604093 | ||
6435378 | 8788 | 0 | None | -1 | 16 | Human | 7.8 | pKi | = | 7.8 | 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 | -1 | 16 | Human | 7.8 | pKi | = | 7.8 | 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 | 16604093 | ||
CHEMBL236025 | 8788 | 0 | None | -1 | 16 | Human | 7.8 | pKi | = | 7.8 | 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 | -1 | 16 | Human | 7.8 | pKi | = | 7.8 | 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 | 16604093 | ||
DB01088 | 8788 | 0 | None | -1 | 16 | Human | 7.8 | pKi | = | 7.8 | 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 | -1 | 16 | Human | 7.8 | pKi | = | 7.8 | 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 | 16604093 | ||
1967 | 7388 | 0 | None | 1 | 5 | Mouse | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 398 | 8 | 3 | 4 | 3.3 | CC#CCC(C(/C=C/C1C(O)CC2C1c1cccc(c1O2)CCCC(=O)O)O)C | 9313928 | ||
5282428 | 7388 | 0 | None | 1 | 5 | Mouse | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 398 | 8 | 3 | 4 | 3.3 | CC#CCC(C(/C=C/C1C(O)CC2C1c1cccc(c1O2)CCCC(=O)O)O)C | 9313928 | ||
1917 | 7714 | 0 | None | -1 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | 10634944 | ||
5311044 | 7714 | 0 | None | -1 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | 10634944 | ||
631 | 7714 | 0 | None | -1 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | 10634944 | ||
CHEMBL160629 | 7714 | 0 | None | -1 | 9 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | 10634944 | ||
1034 | 9859 | 0 | None | 501 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 352 | 10 | 3 | 4 | 3.4 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/O2)O | 372237 | ||
1915 | 9859 | 0 | None | 501 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 352 | 10 | 3 | 4 | 3.4 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/O2)O | 372237 | ||
5280427 | 9859 | 0 | None | 501 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 352 | 10 | 3 | 4 | 3.4 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/O2)O | 372237 | ||
5282411 | 9859 | 0 | None | 501 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 352 | 10 | 3 | 4 | 3.4 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/O2)O | 372237 | ||
CHEMBL1139 | 9859 | 0 | None | 501 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 352 | 10 | 3 | 4 | 3.4 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/O2)O | 372237 | ||
DB01240 | 9859 | 0 | None | 501 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 352 | 10 | 3 | 4 | 3.4 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/O2)O | 372237 | ||
5855 | 8426 | 7 | None | 257 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 447 | 7 | 2 | 5 | 4.3 | OC(=O)COc1cccc2c1CC[C@](C2)(O)COC(=O)N(c1ccccc1)c1ccccc1 | 15914004 | ||
9911469 | 8426 | 7 | None | 257 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 447 | 7 | 2 | 5 | 4.3 | OC(=O)COc1cccc2c1CC[C@](C2)(O)COC(=O)N(c1ccccc1)c1ccccc1 | 15914004 | ||
CHEMBL196779 | 8426 | 7 | None | 257 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 447 | 7 | 2 | 5 | 4.3 | OC(=O)COc1cccc2c1CC[C@](C2)(O)COC(=O)N(c1ccccc1)c1ccccc1 | 15914004 | ||
1969 | 7598 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 309 | 5 | 2 | 4 | 3.4 | CC(Oc1ccc(cc1)Cc1ccc(cc1)NC1=NCCN1)C | 16331286 | ||
9839644 | 7598 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 309 | 5 | 2 | 4 | 3.4 | CC(Oc1ccc(cc1)Cc1ccc(cc1)NC1=NCCN1)C | 16331286 | ||
CHEMBL9540 | 7598 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 309 | 5 | 2 | 4 | 3.4 | CC(Oc1ccc(cc1)Cc1ccc(cc1)NC1=NCCN1)C | 16331286 | ||
1888 | 10672 | 29 | None | -1000 | 17 | Human | 4.2 | pKi | None | 4.2 | 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 | 10634944 | ||
1974 | 10672 | 29 | None | -1000 | 17 | Human | 4.2 | pKi | None | 4.2 | 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 | 10634944 | ||
5311493 | 10672 | 29 | None | -1000 | 17 | Human | 4.2 | pKi | None | 4.2 | 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 | 10634944 | ||
CHEMBL521784 | 10672 | 29 | None | -1000 | 17 | Human | 4.2 | pKi | None | 4.2 | 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 | 10634944 | ||
1892 | 7534 | 20 | None | -104 | 9 | Human | 4.3 | pKi | None | 4.3 | 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 | -104 | 9 | Human | 4.3 | pKi | None | 4.3 | 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 | -104 | 9 | Human | 4.3 | pKi | None | 4.3 | 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 | -19 | 13 | Human | 6.6 | pKi | None | 6.6 | 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 | -19 | 13 | Human | 6.6 | pKi | None | 6.6 | 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 | -19 | 13 | Human | 6.6 | pKi | None | 6.6 | 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 | ||
1893 | 7582 | 0 | None | -7 | 13 | Mouse | 7.0 | pKi | None | 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 | 9313928 | ||
5311242 | 7582 | 0 | None | -7 | 13 | Mouse | 7.0 | pKi | None | 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 | 9313928 | ||
CHEMBL148319 | 7582 | 0 | None | -7 | 13 | Mouse | 7.0 | pKi | None | 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 | 9313928 | ||
1964 | 9703 | 0 | None | - | 1 | Mouse | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 428 | 9 | 1 | 5 | 4.7 | OC(=O)COc1cccc2c1CCC=C2CCO/N=C(/c1cccnc1)\c1ccccc1 | 9313928 | ||
6536812 | 9703 | 0 | None | - | 1 | Mouse | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 428 | 9 | 1 | 5 | 4.7 | OC(=O)COc1cccc2c1CCC=C2CCO/N=C(/c1cccnc1)\c1ccccc1 | 9313928 | ||
CHEMBL188539 | 9703 | 0 | None | - | 1 | Mouse | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 428 | 9 | 1 | 5 | 4.7 | OC(=O)COc1cccc2c1CCC=C2CCO/N=C(/c1cccnc1)\c1ccccc1 | 9313928 | ||
138 | 9855 | 88 | None | -32 | 18 | Mouse | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 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 | 9313928 | ||
149351 | 9855 | 88 | None | -32 | 18 | Mouse | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 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 | 9313928 | ||
1882 | 9855 | 88 | None | -32 | 18 | Mouse | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 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 | 9313928 | ||
5280723 | 9855 | 88 | None | -32 | 18 | Mouse | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 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 | 9313928 | ||
CHEMBL495 | 9855 | 88 | None | -32 | 18 | Mouse | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 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 | 9313928 | ||
DB00770 | 9855 | 88 | None | -32 | 18 | Mouse | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 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 | 9313928 | ||
1934 | 8871 | 0 | None | 1 | 3 | Mouse | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 350 | 11 | 3 | 3 | 4.1 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1CC(=C2)CCCCC(=O)O)O | 9313928 | ||
5311244 | 8871 | 0 | None | 1 | 3 | Mouse | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 350 | 11 | 3 | 3 | 4.1 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1CC(=C2)CCCCC(=O)O)O | 9313928 | ||
CHEMBL4522827 | 8871 | 0 | None | 1 | 3 | Mouse | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 350 | 11 | 3 | 3 | 4.1 | CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1CC(=C2)CCCCC(=O)O)O | 9313928 | ||
1917 | 7714 | 0 | None | 1 | 9 | Mouse | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | 9313928 | ||
5311044 | 7714 | 0 | None | 1 | 9 | Mouse | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | 9313928 | ||
631 | 7714 | 0 | None | 1 | 9 | Mouse | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | 9313928 | ||
CHEMBL160629 | 7714 | 0 | None | 1 | 9 | Mouse | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 374 | 6 | 3 | 4 | 2.2 | CCC#CC[C@@H]([C@@H](C#C[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)C | 9313928 | ||
1895 | 8788 | 0 | None | 1 | 16 | Mouse | 8.0 | pKi | None | 8 | 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 | 9313928 | ||
6435378 | 8788 | 0 | None | 1 | 16 | Mouse | 8.0 | pKi | None | 8 | 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 | 9313928 | ||
CHEMBL236025 | 8788 | 0 | None | 1 | 16 | Mouse | 8.0 | pKi | None | 8 | 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 | 9313928 | ||
DB01088 | 8788 | 0 | None | 1 | 16 | Mouse | 8.0 | pKi | None | 8 | 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 | 9313928 |