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 |
| 164616580 | 185303 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 297 | 4 | 2 | 1 | 4.3 | Cc1cc(F)ccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1 | 10.1021/acs.jmedchem.1c00031 | ||
| CHEMBL4859651 | 185303 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 297 | 4 | 2 | 1 | 4.3 | Cc1cc(F)ccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1 | 10.1021/acs.jmedchem.1c00031 | ||
| 17754443 | 180228 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 370 | 3 | 1 | 3 | 4.7 | O=C(O)[C@@H]1[C@H]2c3ccc(Oc4ccc(C(F)(F)F)cc4Cl)cc3O[C@H]21 | 10.1016/j.bmcl.2008.10.085 | ||
| CHEMBL475027 | 180228 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 370 | 3 | 1 | 3 | 4.7 | O=C(O)[C@@H]1[C@H]2c3ccc(Oc4ccc(C(F)(F)F)cc4Cl)cc3O[C@H]21 | 10.1016/j.bmcl.2008.10.085 | ||
| 155551422 | 173943 | 0 | None | -15 | 2 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 454 | 9 | 1 | 3 | 6.8 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)C(C)(C)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4541658 | 173943 | 0 | None | -15 | 2 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 454 | 9 | 1 | 3 | 6.8 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)C(C)(C)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 134465732 | 171451 | 0 | None | -1 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 440 | 9 | 1 | 3 | 6.4 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@H](C)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4463571 | 171451 | 0 | None | -1 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 440 | 9 | 1 | 3 | 6.4 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@H](C)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 164615766 | 184985 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 313 | 4 | 2 | 1 | 4.8 | Cc1cc(Cl)ccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1 | 10.1021/acs.jmedchem.1c00031 | ||
| CHEMBL4854804 | 184985 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 313 | 4 | 2 | 1 | 4.8 | Cc1cc(Cl)ccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1 | 10.1021/acs.jmedchem.1c00031 | ||
| 134465794 | 171054 | 0 | None | -4 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 458 | 9 | 1 | 3 | 6.5 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@@](C)(F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4457303 | 171054 | 0 | None | -4 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 458 | 9 | 1 | 3 | 6.5 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@@](C)(F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 91827421 | 149235 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 529 | 9 | 1 | 3 | 7.0 | CC(c1cc(C(F)(F)F)ccc1C(F)(F)F)N1CC(COc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)C1 | 10.1016/j.bmcl.2016.10.074 | ||
| CHEMBL3944424 | 149235 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 529 | 9 | 1 | 3 | 7.0 | CC(c1cc(C(F)(F)F)ccc1C(F)(F)F)N1CC(COc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)C1 | 10.1016/j.bmcl.2016.10.074 | ||
| 155551422 | 173943 | 0 | None | 15 | 2 | Rat | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 454 | 9 | 1 | 3 | 6.8 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)C(C)(C)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4541658 | 173943 | 0 | None | 15 | 2 | Rat | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 454 | 9 | 1 | 3 | 6.8 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)C(C)(C)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 134465794 | 171054 | 0 | None | 4 | 2 | Rat | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 458 | 9 | 1 | 3 | 6.5 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@@](C)(F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4457303 | 171054 | 0 | None | 4 | 2 | Rat | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 458 | 9 | 1 | 3 | 6.5 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@@](C)(F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| 164613862 | 184582 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 313 | 4 | 2 | 1 | 4.8 | Cc1c(Cl)cccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1 | 10.1021/acs.jmedchem.1c00031 | ||
| CHEMBL4848974 | 184582 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 313 | 4 | 2 | 1 | 4.8 | Cc1c(Cl)cccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1 | 10.1021/acs.jmedchem.1c00031 | ||
| 89671280 | 146663 | 0 | None | 10 | 2 | Rat | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 406 | 5 | 3 | 3 | 4.1 | CC#C[C@@H](CC(=O)O)c1ccc(NC(=O)C(=O)Nc2cccc(C(C)(C)C)c2)cc1 | 10.1016/j.bmcl.2016.10.074 | ||
| CHEMBL3923877 | 146663 | 0 | None | 10 | 2 | Rat | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 406 | 5 | 3 | 3 | 4.1 | CC#C[C@@H](CC(=O)O)c1ccc(NC(=O)C(=O)Nc2cccc(C(C)(C)C)c2)cc1 | 10.1016/j.bmcl.2016.10.074 | ||
| 134465732 | 171451 | 0 | None | 1 | 2 | Rat | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 440 | 9 | 1 | 3 | 6.4 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@H](C)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4463571 | 171451 | 0 | None | 1 | 2 | Rat | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 440 | 9 | 1 | 3 | 6.4 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@H](C)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 164617551 | 185287 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 293 | 4 | 2 | 1 | 4.5 | Cc1ccc(-c2cc3cc(CCC(=O)O)ccc3[nH]2)c(C)c1 | 10.1021/acs.jmedchem.1c00031 | ||
| CHEMBL4859407 | 185287 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 293 | 4 | 2 | 1 | 4.5 | Cc1ccc(-c2cc3cc(CCC(=O)O)ccc3[nH]2)c(C)c1 | 10.1021/acs.jmedchem.1c00031 | ||
| 142738582 | 184496 | 0 | None | 42 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 293 | 4 | 2 | 1 | 4.5 | Cc1ccc(C)c(-c2cc3cc(CCC(=O)O)ccc3[nH]2)c1 | 10.1021/acs.jmedchem.1c00031 | ||
| CHEMBL4847662 | 184496 | 0 | None | 42 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 293 | 4 | 2 | 1 | 4.5 | Cc1ccc(C)c(-c2cc3cc(CCC(=O)O)ccc3[nH]2)c1 | 10.1021/acs.jmedchem.1c00031 | ||
| 137333449 | 167585 | 5 | None | 10 | 2 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1cc(-c2ccc([C@@H]3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4165147 | 167585 | 5 | None | 10 | 2 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1cc(-c2ccc([C@@H]3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4301092 | 167585 | 5 | None | 10 | 2 | Rat | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1cc(-c2ccc([C@@H]3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 86288852 | 111227 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 522 | 11 | 1 | 6 | 6.6 | COc1cc(-c2ccc(COc3cc([C@@H](CC(=O)O)C4CC4)ccn3)cc2[C@H](OC)C(C)(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| CHEMBL3265149 | 111227 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 522 | 11 | 1 | 6 | 6.6 | COc1cc(-c2ccc(COc3cc([C@@H](CC(=O)O)C4CC4)ccn3)cc2[C@H](OC)C(C)(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| 52936292 | 182086 | 27 | None | -7 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 497 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4782004 | 182086 | 27 | None | -7 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 497 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 164619456 | 186125 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 293 | 4 | 2 | 1 | 4.5 | Cc1cccc(C)c1-c1cc2cc(CCC(=O)O)ccc2[nH]1 | 10.1021/acs.jmedchem.1c00031 | ||
| CHEMBL4872298 | 186125 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 293 | 4 | 2 | 1 | 4.5 | Cc1cccc(C)c1-c1cc2cc(CCC(=O)O)ccc2[nH]1 | 10.1021/acs.jmedchem.1c00031 | ||
| 164610330 | 185173 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 357 | 4 | 2 | 1 | 4.9 | Cc1cc(Br)ccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1 | 10.1021/acs.jmedchem.1c00031 | ||
| CHEMBL4857550 | 185173 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 357 | 4 | 2 | 1 | 4.9 | Cc1cc(Br)ccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1 | 10.1021/acs.jmedchem.1c00031 | ||
| 137333449 | 167585 | 5 | None | -10 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1cc(-c2ccc([C@@H]3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4165147 | 167585 | 5 | None | -10 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1cc(-c2ccc([C@@H]3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4301092 | 167585 | 5 | None | -10 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1cc(-c2ccc([C@@H]3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 118638016 | 167628 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4163182 | 167628 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4301725 | 167628 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 134465785 | 176087 | 0 | None | -15 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 426 | 9 | 1 | 3 | 6.2 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@@H](CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4591657 | 176087 | 0 | None | -15 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 426 | 9 | 1 | 3 | 6.2 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@@H](CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 68194465 | 183282 | 0 | None | -3 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 511 | 8 | 1 | 4 | 6.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4797124 | 183282 | 0 | None | -3 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 511 | 8 | 1 | 4 | 6.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 118151370 | 159079 | 0 | None | 7 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 477 | 9 | 1 | 6 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OC(F)F)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4097527 | 159079 | 0 | None | 7 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 477 | 9 | 1 | 6 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OC(F)F)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 155549083 | 173644 | 0 | None | 6 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 444 | 9 | 1 | 3 | 6.1 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@@H](F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4534836 | 173644 | 0 | None | 6 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 444 | 9 | 1 | 3 | 6.1 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@@H](F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 118623101 | 167565 | 0 | None | -12 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4159416 | 167565 | 0 | None | -12 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4300796 | 167565 | 0 | None | -12 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| 90357232 | 142227 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc([C@@H]3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3884803 | 142227 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc([C@@H]3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 51049992 | 145594 | 5 | None | -23 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL3915620 | 145594 | 5 | None | -23 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 118638009 | 167629 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 479 | 7 | 1 | 4 | 6.3 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4160527 | 167629 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 479 | 7 | 1 | 4 | 6.3 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4301726 | 167629 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 479 | 7 | 1 | 4 | 6.3 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 118623101 | 167565 | 0 | None | 12 | 2 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4159416 | 167565 | 0 | None | 12 | 2 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4300796 | 167565 | 0 | None | 12 | 2 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| 15604310 | 111774 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 462 | 8 | 1 | 6 | 5.0 | Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nnnn3C)cc2)c1 | 10.1021/ml400501x | ||
| CHEMBL3287571 | 111774 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 462 | 8 | 1 | 6 | 5.0 | Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nnnn3C)cc2)c1 | 10.1021/ml400501x | ||
| 46854655 | 394 | 47 | None | -8 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00892 | ||
| 6485 | 394 | 47 | None | -8 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL1829173 | 394 | 47 | None | -8 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00892 | ||
| 68194476 | 182863 | 0 | None | -6 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 481 | 8 | 1 | 4 | 6.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)o2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4792075 | 182863 | 0 | None | -6 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 481 | 8 | 1 | 4 | 6.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)o2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 118638010 | 167541 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 480 | 7 | 1 | 5 | 5.7 | COc1cc(-c2cnc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4165008 | 167541 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 480 | 7 | 1 | 5 | 5.7 | COc1cc(-c2cnc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4300503 | 167541 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 480 | 7 | 1 | 5 | 5.7 | COc1cc(-c2cnc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 90372613 | 167720 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 443 | 7 | 1 | 4 | 6.0 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4166625 | 167720 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 443 | 7 | 1 | 4 | 6.0 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4302869 | 167720 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 443 | 7 | 1 | 4 | 6.0 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 90655860 | 111222 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 518 | 10 | 1 | 5 | 7.1 | COc1cc(-c2ccc(COc3cc([C@@H](CC(=O)O)C4CC4)ccn3)cc2[C@@H]2CCCC2(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| CHEMBL3265144 | 111222 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 518 | 10 | 1 | 5 | 7.1 | COc1cc(-c2ccc(COc3cc([C@@H](CC(=O)O)C4CC4)ccn3)cc2[C@@H]2CCCC2(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| 118637996 | 142145 | 0 | None | -15 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL3883819 | 142145 | 0 | None | -15 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4162778 | 142145 | 0 | None | -15 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| 118637996 | 142145 | 0 | None | -15 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883819 | 142145 | 0 | None | -15 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL4162778 | 142145 | 0 | None | -15 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 162668378 | 182483 | 0 | None | -4 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 559 | 8 | 1 | 3 | 7.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4787010 | 182483 | 0 | None | -4 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 559 | 8 | 1 | 3 | 7.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 90372625 | 167697 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 444 | 7 | 1 | 5 | 5.4 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4159022 | 167697 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 444 | 7 | 1 | 5 | 5.4 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4302640 | 167697 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 444 | 7 | 1 | 5 | 5.4 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 145980154 | 166613 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 372 | 9 | 1 | 3 | 4.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCCCOc2cccc(Cl)c2)cc1 | 10.1016/j.ejmech.2018.09.071 | ||
| CHEMBL4281133 | 166613 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 372 | 9 | 1 | 3 | 4.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCCCOc2cccc(Cl)c2)cc1 | 10.1016/j.ejmech.2018.09.071 | ||
| 44572097 | 189527 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 402 | 6 | 1 | 3 | 6.1 | CC#CC(CC(=O)O)c1ccc(OC2CCc3cc(-c4cccs4)ccc32)cc1 | 10.1016/j.bmcl.2008.10.085 | ||
| CHEMBL514337 | 189527 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 402 | 6 | 1 | 3 | 6.1 | CC#CC(CC(=O)O)c1ccc(OC2CCc3cc(-c4cccs4)ccc32)cc1 | 10.1016/j.bmcl.2008.10.085 | ||
| 134144239 | 150443 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 543 | 8 | 1 | 3 | 7.9 | COc1ccc(F)c(-c2ccc(Cc3cccc(N4C[C@H](c5cccc(Cl)c5)C[C@@H]4CC(=O)O)c3)c(C)c2)c1 | 10.1016/j.bmcl.2016.10.074 | ||
| CHEMBL3954235 | 150443 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 543 | 8 | 1 | 3 | 7.9 | COc1ccc(F)c(-c2ccc(Cc3cccc(N4C[C@H](c5cccc(Cl)c5)C[C@@H]4CC(=O)O)c3)c(C)c2)c1 | 10.1016/j.bmcl.2016.10.074 | ||
| 131986136 | 163601 | 0 | None | 3 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 512 | 8 | 1 | 6 | 6.5 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(F)c3scc(-c4ccc(OC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4203795 | 163601 | 0 | None | 3 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 512 | 8 | 1 | 6 | 6.5 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(F)c3scc(-c4ccc(OC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 3367 | 1148 | 1 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 416 | 4 | 1 | 5 | 4.7 | O=C1NC(=O)C(S1)Cc1ccc(cc1C)Oc1ncc(cc1Cl)C(F)(F)F | 10.1016/j.bmcl.2009.10.052 | ||
| 46216676 | 1148 | 1 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 416 | 4 | 1 | 5 | 4.7 | O=C1NC(=O)C(S1)Cc1ccc(cc1C)Oc1ncc(cc1Cl)C(F)(F)F | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL604126 | 1148 | 1 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 416 | 4 | 1 | 5 | 4.7 | O=C1NC(=O)C(S1)Cc1ccc(cc1C)Oc1ncc(cc1Cl)C(F)(F)F | 10.1016/j.bmcl.2009.10.052 | ||
| 46232307 | 202543 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 5.9 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(C2CC2C(=O)O)cc1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL611821 | 202543 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 5.9 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(C2CC2C(=O)O)cc1 | 10.1016/j.bmcl.2009.10.052 | ||
| 90644300 | 111940 | 0 | None | 31 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 375 | 7 | 1 | 3 | 5.5 | Cc1cccc(C)c1-c1cccc(COc2ccc(C(C)CC(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288358 | 111940 | 0 | None | 31 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 375 | 7 | 1 | 3 | 5.5 | Cc1cccc(C)c1-c1cccc(COc2ccc(C(C)CC(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 23111694 | 74030 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 494 | 9 | 1 | 4 | 7.1 | Cc1cccc(C)c1-c1cc(COc2ccc3c(c2)OCC3CC(=O)O)ccc1OCc1ccccc1 | 10.1021/jm2012968 | ||
| CHEMBL2022256 | 74030 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 494 | 9 | 1 | 4 | 7.1 | Cc1cccc(C)c1-c1cc(COc2ccc3c(c2)OCC3CC(=O)O)ccc1OCc1ccccc1 | 10.1021/jm2012968 | ||
| 68194237 | 182182 | 0 | None | -4 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 512 | 8 | 1 | 5 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2nc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4783033 | 182182 | 0 | None | -4 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 512 | 8 | 1 | 5 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2nc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 131986401 | 163960 | 0 | None | 1 | 2 | Rat | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 478 | 7 | 1 | 5 | 6.6 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4208095 | 163960 | 0 | None | 1 | 2 | Rat | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 478 | 7 | 1 | 5 | 6.6 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 134140733 | 147139 | 0 | None | - | 1 | Rat | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 358 | 8 | 1 | 3 | 4.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCCOc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2016.10.074 | ||
| CHEMBL3927863 | 147139 | 0 | None | - | 1 | Rat | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 358 | 8 | 1 | 3 | 4.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCCOc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2016.10.074 | ||
| 134137874 | 152957 | 0 | None | 1995 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 461 | 11 | 1 | 4 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C(C)C)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3930086 | 152957 | 0 | None | 1995 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 461 | 11 | 1 | 4 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C(C)C)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3975239 | 152957 | 0 | None | 1995 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 461 | 11 | 1 | 4 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C(C)C)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| 44409843 | 140380 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 473 | 7 | 2 | 4 | 6.4 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL380884 | 140380 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 473 | 7 | 2 | 4 | 6.4 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 57706620 | 163860 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 530 | 11 | 1 | 3 | 8.7 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)CC4CC4)c3)cc2[C@@H]2CCCC2(C)C)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| CHEMBL4206969 | 163860 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 530 | 11 | 1 | 3 | 8.7 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)CC4CC4)c3)cc2[C@@H]2CCCC2(C)C)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| 57707179 | 164481 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 534 | 10 | 1 | 3 | 8.5 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3F)cc2[C@@H]2CCCC2(C)C)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| CHEMBL4214632 | 164481 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 534 | 10 | 1 | 3 | 8.5 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3F)cc2[C@@H]2CCCC2(C)C)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| 46854655 | 394 | 47 | None | -8 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/jm2005699 | ||
| 6485 | 394 | 47 | None | -8 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/jm2005699 | ||
| CHEMBL1829173 | 394 | 47 | None | -8 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/jm2005699 | ||
| 1050 | 1889 | 94 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1016/j.bmcl.2009.10.052 | ||
| 11595431 | 1889 | 94 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL207881 | 1889 | 94 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1016/j.bmcl.2009.10.052 | ||
| 122185437 | 122651 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 360 | 11 | 1 | 5 | 3.8 | CCOC(CC(=O)O)c1ccc(OCc2cccc(OCOC)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604043 | 122651 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 360 | 11 | 1 | 5 | 3.8 | CCOC(CC(=O)O)c1ccc(OCc2cccc(OCOC)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 121294359 | 179562 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 615 | 14 | 1 | 7 | 6.4 | COc1ccc(C(=O)N(CC(C)(C)OC)c2ccccn2)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4742099 | 179562 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 615 | 14 | 1 | 7 | 6.4 | COc1ccc(C(=O)N(CC(C)(C)OC)c2ccccn2)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 121294251 | 179933 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 536 | 11 | 1 | 5 | 6.1 | COc1ccc(C(=O)N(C)CC(C)(C)C)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4746614 | 179933 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 536 | 11 | 1 | 5 | 6.1 | COc1ccc(C(=O)N(C)CC(C)(C)C)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 90151370 | 155891 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 525 | 7 | 1 | 6 | 5.6 | COc1ccc(Cl)c(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4060840 | 155891 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 525 | 7 | 1 | 6 | 5.6 | COc1ccc(Cl)c(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| 145987015 | 167018 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 386 | 6 | 1 | 4 | 4.1 | CC#CC(CC(=O)O)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4288867 | 167018 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 386 | 6 | 1 | 4 | 4.1 | CC#CC(CC(=O)O)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 54583582 | 62134 | 0 | None | -2 | 2 | Mouse | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 431 | 6 | 1 | 4 | 6.2 | CC#CC(CC(=O)O)c1ccc(OC2CCCc3nc(-c4ccc(C)cc4)sc32)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777872 | 62134 | 0 | None | -2 | 2 | Mouse | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 431 | 6 | 1 | 4 | 6.2 | CC#CC(CC(=O)O)c1ccc(OC2CCCc3nc(-c4ccc(C)cc4)sc32)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 44409728 | 75023 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 361 | 8 | 2 | 3 | 5.4 | CC(Cc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1)C(=O)O | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL203520 | 75023 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 361 | 8 | 2 | 3 | 5.4 | CC(Cc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1)C(=O)O | 10.1016/j.bmcl.2006.01.007 | ||
| 44409670 | 75933 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 461 | 8 | 2 | 4 | 6.2 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(CCC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL205263 | 75933 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 461 | 8 | 2 | 4 | 6.2 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(CCC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 20331242 | 87797 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 289 | 6 | 2 | 2 | 4.0 | O=C(O)CCc1ccc(NCc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| CHEMBL233835 | 87797 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 289 | 6 | 2 | 2 | 4.0 | O=C(O)CCc1ccc(NCc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| 58319107 | 86518 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 326 | 4 | 1 | 1 | 4.8 | O=C(O)CCc1ccc(C#Cc2ccccc2-c2ccccc2)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315546 | 86518 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 326 | 4 | 1 | 1 | 4.8 | O=C(O)CCc1ccc(C#Cc2ccccc2-c2ccccc2)cc1 | 10.1021/jm301470a | ||
| 71562312 | 86529 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 264 | 4 | 1 | 1 | 3.5 | O=C(O)CCCc1ccc(C#Cc2ccccc2)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315557 | 86529 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 264 | 4 | 1 | 1 | 3.5 | O=C(O)CCCc1ccc(C#Cc2ccccc2)cc1 | 10.1021/jm301470a | ||
| 146314511 | 180597 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 508 | 13 | 1 | 5 | 6.0 | COc1ccc(CN(C)CC(C)C)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4754718 | 180597 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 508 | 13 | 1 | 5 | 6.0 | COc1ccc(CN(C)CC(C)C)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 23136477 | 58800 | 3 | None | -15 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 332 | 7 | 1 | 2 | 5.0 | O=C(O)CCc1ccc(OCc2ccccc2-c2ccccc2)cc1 | 10.1021/jm300215x | ||
| CHEMBL1688455 | 58800 | 3 | None | -15 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 332 | 7 | 1 | 2 | 5.0 | O=C(O)CCc1ccc(OCc2ccccc2-c2ccccc2)cc1 | 10.1021/jm300215x | ||
| CHEMBL4213909 | 58800 | 3 | None | -15 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 332 | 7 | 1 | 2 | 5.0 | O=C(O)CCc1ccc(OCc2ccccc2-c2ccccc2)cc1 | 10.1021/jm300215x | ||
| 137643339 | 158019 | 0 | None | -26 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 304 | 6 | 1 | 2 | 4.2 | Cc1cc(CCC(=O)O)ccc1OCc1cccc(Cl)c1 | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4085843 | 158019 | 0 | None | -26 | 2 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 304 | 6 | 1 | 2 | 4.2 | Cc1cc(CCC(=O)O)ccc1OCc1cccc(Cl)c1 | 10.1016/j.bmcl.2017.01.034 | ||
| 46232308 | 201063 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 367 | 4 | 1 | 4 | 4.7 | O=C1NC(=O)C(Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL602867 | 201063 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 367 | 4 | 1 | 4 | 4.7 | O=C1NC(=O)C(Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 134130696 | 142112 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 490 | 9 | 1 | 4 | 6.7 | COCc1cc(C2CCc3ccc([C@@H](CC(=O)O)C4CC4)cc3O2)ccc1-c1cc(OC)ccc1F | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883449 | 142112 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 490 | 9 | 1 | 4 | 6.7 | COCc1cc(C2CCc3ccc([C@@H](CC(=O)O)C4CC4)cc3O2)ccc1-c1cc(OC)ccc1F | 10.1021/acsmedchemlett.6b00443 | ||
| 142738543 | 162083 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 349 | 5 | 2 | 2 | 4.8 | O=C(O)CCc1ccc2[nH]c(-c3ccccc3OC(F)(F)F)cc2c1 | 10.1021/acsmedchemlett.7b00460 | ||
| CHEMBL4161206 | 162083 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 349 | 5 | 2 | 2 | 4.8 | O=C(O)CCc1ccc2[nH]c(-c3ccccc3OC(F)(F)F)cc2c1 | 10.1021/acsmedchemlett.7b00460 | ||
| 127046664 | 139801 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 453 | 9 | 1 | 5 | 6.0 | Cc1noc(C)c1-c1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(OC2CCCC2)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3798992 | 139801 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 453 | 9 | 1 | 5 | 6.0 | Cc1noc(C)c1-c1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(OC2CCCC2)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| 155549391 | 173813 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 466 | 7 | 1 | 5 | 5.0 | O=C(O)CC1(c2ccc(OC[C@H]3COc4ccc(-c5ccc(Cl)cc5)cc4O3)cc2)COC1 | 10.1016/j.bmcl.2019.01.014 | ||
| CHEMBL4538821 | 173813 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 466 | 7 | 1 | 5 | 5.0 | O=C(O)CC1(c2ccc(OC[C@H]3COc4ccc(-c5ccc(Cl)cc5)cc4O3)cc2)COC1 | 10.1016/j.bmcl.2019.01.014 | ||
| 145970056 | 164749 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 475 | 9 | 2 | 5 | 5.3 | O=C(O)CCc1ccc(NC(=O)c2nnc(CC(c3ccccc3)c3ccccc3F)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| CHEMBL4218014 | 164749 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 475 | 9 | 2 | 5 | 5.3 | O=C(O)CCc1ccc(NC(=O)c2nnc(CC(c3ccccc3)c3ccccc3F)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| 137643339 | 158019 | 0 | None | -26 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 304 | 6 | 1 | 2 | 4.2 | Cc1cc(CCC(=O)O)ccc1OCc1cccc(Cl)c1 | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4085843 | 158019 | 0 | None | -26 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 304 | 6 | 1 | 2 | 4.2 | Cc1cc(CCC(=O)O)ccc1OCc1cccc(Cl)c1 | 10.1016/j.bmcl.2017.01.034 | ||
| 122193743 | 123946 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 454 | 11 | 1 | 5 | 5.2 | COCCOc1cc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1016/j.bmc.2015.10.011 | ||
| CHEMBL3628763 | 123946 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 454 | 11 | 1 | 5 | 5.2 | COCCOc1cc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1016/j.bmc.2015.10.011 | ||
| 145969681 | 164965 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 392 | 6 | 1 | 5 | 4.2 | Cc1nn(C)c(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1016/j.bmc.2017.12.030 | ||
| CHEMBL4225643 | 164965 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 392 | 6 | 1 | 5 | 4.2 | Cc1nn(C)c(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1016/j.bmc.2017.12.030 | ||
| 145984886 | 166415 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 415 | 7 | 1 | 6 | 4.2 | O=C(O)CC(c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1)c1cnco1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4277516 | 166415 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 415 | 7 | 1 | 6 | 4.2 | O=C(O)CC(c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1)c1cnco1 | 10.1016/j.bmc.2018.10.019 | ||
| 168290747 | 191899 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 420 | 10 | 1 | 5 | 4.9 | COc1ccc(/C=C/c2cc(OC)cc(OCc3ccc(OCC(=O)O)cc3)c2)cc1 | 10.1016/j.ejmech.2021.114061 | ||
| CHEMBL5200259 | 191899 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 420 | 10 | 1 | 5 | 4.9 | COc1ccc(/C=C/c2cc(OC)cc(OCc3ccc(OCC(=O)O)cc3)c2)cc1 | 10.1016/j.ejmech.2021.114061 | ||
| 90356885 | 167511 | 0 | None | -16 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 462 | 7 | 1 | 5 | 5.6 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4168422 | 167511 | 0 | None | -16 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 462 | 7 | 1 | 5 | 5.6 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4300181 | 167511 | 0 | None | -16 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 462 | 7 | 1 | 5 | 5.6 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 53248847 | 62117 | 0 | None | 1 | 2 | Mouse | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 432 | 7 | 1 | 3 | 5.8 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1F | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777855 | 62117 | 0 | None | 1 | 2 | Mouse | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 432 | 7 | 1 | 3 | 5.8 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1F | 10.1016/j.bmcl.2011.03.114 | ||
| 134150245 | 152221 | 0 | None | -117 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 374 | 7 | 1 | 3 | 5.1 | O=C(O)CCCOc1ccc(-c2cc(OC(F)(F)F)ccc2Cl)cc1 | 10.1016/j.bmcl.2016.10.054 | ||
| CHEMBL3968947 | 152221 | 0 | None | -117 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 374 | 7 | 1 | 3 | 5.1 | O=C(O)CCCOc1ccc(-c2cc(OC(F)(F)F)ccc2Cl)cc1 | 10.1016/j.bmcl.2016.10.054 | ||
| 118638016 | 167628 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4163182 | 167628 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4301725 | 167628 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 71612894 | 89952 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 408 | 3 | 1 | 4 | 4.1 | O=C(O)C[C@@H]1COc2cc3c(cc21)OCC(c1cc(F)cc(Br)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381292 | 89952 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 408 | 3 | 1 | 4 | 4.1 | O=C(O)C[C@@H]1COc2cc3c(cc21)OCC(c1cc(F)cc(Br)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| 122193737 | 123944 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 438 | 10 | 1 | 4 | 5.9 | CCCOc1cc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1016/j.bmc.2015.10.011 | ||
| CHEMBL3628757 | 123944 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 438 | 10 | 1 | 4 | 5.9 | CCCOc1cc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1016/j.bmc.2015.10.011 | ||
| 57521809 | 76235 | 0 | None | -13 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1ccc(-c2ccccc2COc2ccc(CCC(=O)O)cc2)cc1 | 10.1016/j.bmc.2017.10.040 | ||
| CHEMBL2058520 | 76235 | 0 | None | -13 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1ccc(-c2ccccc2COc2ccc(CCC(=O)O)cc2)cc1 | 10.1016/j.bmc.2017.10.040 | ||
| CHEMBL4210970 | 76235 | 0 | None | -13 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1ccc(-c2ccccc2COc2ccc(CCC(=O)O)cc2)cc1 | 10.1016/j.bmc.2017.10.040 | ||
| 145971234 | 163057 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 453 | 7 | 1 | 3 | 5.0 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCc4ccccc4C3)cc2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4176612 | 163057 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 453 | 7 | 1 | 3 | 5.0 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCc4ccccc4C3)cc2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 127051302 | 140291 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 383 | 8 | 2 | 6 | 3.4 | O=C(O)CCc1ccc(OCc2nnc(C(=O)Nc3ccccc3)s2)cc1 | 10.1016/j.bmc.2016.04.065 | ||
| CHEMBL3806208 | 140291 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 383 | 8 | 2 | 6 | 3.4 | O=C(O)CCc1ccc(OCc2nnc(C(=O)Nc3ccccc3)s2)cc1 | 10.1016/j.bmc.2016.04.065 | ||
| 127049498 | 140216 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 417 | 8 | 2 | 6 | 4.0 | O=C(O)CCc1ccc(OCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 | 10.1016/j.bmc.2016.04.065 | ||
| CHEMBL3805377 | 140216 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 417 | 8 | 2 | 6 | 4.0 | O=C(O)CCc1ccc(OCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 | 10.1016/j.bmc.2016.04.065 | ||
| 131986147 | 164755 | 0 | None | -6 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 456 | 7 | 1 | 5 | 6.4 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(C4CCCCC4)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4218110 | 164755 | 0 | None | -6 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 456 | 7 | 1 | 5 | 6.4 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(C4CCCCC4)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 25150121 | 185158 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | Cc1ccc(C#Cc2ccc(CCC(=O)O)cc2)cc1 | 10.1021/jm8010178 | ||
| CHEMBL485738 | 185158 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | Cc1ccc(C#Cc2ccc(CCC(=O)O)cc2)cc1 | 10.1021/jm8010178 | ||
| 75511303 | 122429 | 3 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 341 | 7 | 1 | 4 | 4.1 | O=C(O)CCc1ccc(OCc2ncc(-c3cccc(F)c3)o2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3600997 | 122429 | 3 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 341 | 7 | 1 | 4 | 4.1 | O=C(O)CCc1ccc(OCc2ncc(-c3cccc(F)c3)o2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| 54757735 | 65315 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 341 | 4 | 1 | 2 | 4.5 | Cc1ccccc1-c1cc(C#Cc2ccc(CCC(=O)O)cc2)ccn1 | 10.1021/jm2005699 | ||
| CHEMBL1829163 | 65315 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 341 | 4 | 1 | 2 | 4.5 | Cc1ccccc1-c1cc(C#Cc2ccc(CCC(=O)O)cc2)ccn1 | 10.1021/jm2005699 | ||
| 54582150 | 61780 | 0 | None | 22 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 331 | 7 | 2 | 2 | 5.0 | O=C(O)CCc1ccc(NCc2ccccc2-c2ccccc2)cc1 | 10.1021/ml100106c | ||
| CHEMBL1773259 | 61780 | 0 | None | 22 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 331 | 7 | 2 | 2 | 5.0 | O=C(O)CCc1ccc(NCc2ccccc2-c2ccccc2)cc1 | 10.1021/ml100106c | ||
| 54582630 | 62128 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 383 | 5 | 1 | 3 | 5.1 | CC#CC(CC(=O)O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777866 | 62128 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 383 | 5 | 1 | 3 | 5.1 | CC#CC(CC(=O)O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 131986297 | 164181 | 0 | None | -1 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 498 | 7 | 1 | 5 | 7.0 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(Cl)c3scc(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4210878 | 164181 | 0 | None | -1 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 498 | 7 | 1 | 5 | 7.0 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(Cl)c3scc(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 122189677 | 123329 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 333 | 7 | 2 | 4 | 2.6 | Cc1cccc(OCC(=O)Nc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2015.09.010 | ||
| CHEMBL3616657 | 123329 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 333 | 7 | 2 | 4 | 2.6 | Cc1cccc(OCC(=O)Nc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2015.09.010 | ||
| 46231436 | 200376 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 311 | 5 | 1 | 3 | 3.4 | O=C1NC(=O)C(Cc2ccc(CCc3ccccc3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL598040 | 200376 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 311 | 5 | 1 | 3 | 3.4 | O=C1NC(=O)C(Cc2ccc(CCc3ccccc3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 46231655 | 201091 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 314 | 4 | 1 | 5 | 3.1 | Cc1cccnc1Oc1ccc(CC2SC(=O)NC2=O)cc1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL603065 | 201091 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 314 | 4 | 1 | 5 | 3.1 | Cc1cccnc1Oc1ccc(CC2SC(=O)NC2=O)cc1 | 10.1016/j.bmcl.2009.10.052 | ||
| 145951164 | 162770 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 473 | 8 | 2 | 4 | 5.7 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)NC3CCCc4ccccc43)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4172250 | 162770 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 473 | 8 | 2 | 4 | 5.7 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)NC3CCCc4ccccc43)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 122193972 | 123952 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 454 | 11 | 2 | 5 | 4.9 | Cc1cc(OCCCO)cc(C)c1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2015.10.011 | ||
| CHEMBL3629046 | 123952 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 454 | 11 | 2 | 5 | 4.9 | Cc1cc(OCCCO)cc(C)c1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2015.10.011 | ||
| 57521917 | 76246 | 0 | None | 8 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 366 | 7 | 1 | 2 | 5.6 | O=C(O)CCc1ccc(OCc2ccc(Cl)cc2-c2ccccc2)cc1 | 10.1021/jm300215x | ||
| CHEMBL2058530 | 76246 | 0 | None | 8 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 366 | 7 | 1 | 2 | 5.6 | O=C(O)CCc1ccc(OCc2ccc(Cl)cc2-c2ccccc2)cc1 | 10.1021/jm300215x | ||
| 168298569 | 192655 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 389 | 5 | 2 | 8 | 3.5 | Cc1cccc(Nc2nc(N)nc(COc3ccc4c(C)cc(=O)oc4c3)n2)c1 | 10.1016/j.ejmech.2022.114645 | ||
| CHEMBL5219055 | 192655 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 389 | 5 | 2 | 8 | 3.5 | Cc1cccc(Nc2nc(N)nc(COc3ccc4c(C)cc(=O)oc4c3)n2)c1 | 10.1016/j.ejmech.2022.114645 | ||
| 25150113 | 171610 | 1 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 265 | 3 | 2 | 2 | 2.7 | Nc1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm8010178 | ||
| CHEMBL446575 | 171610 | 1 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 265 | 3 | 2 | 2 | 2.7 | Nc1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm8010178 | ||
| 54757515 | 65298 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 296 | 4 | 1 | 4 | 2.4 | O=C(O)CCc1ccc(C#Cc2ncccc2[N+](=O)[O-])cc1 | 10.1021/jm2005699 | ||
| CHEMBL1829147 | 65298 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 296 | 4 | 1 | 4 | 2.4 | O=C(O)CCc1ccc(C#Cc2ncccc2[N+](=O)[O-])cc1 | 10.1021/jm2005699 | ||
| 146314448 | 180103 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 507 | 12 | 1 | 4 | 7.3 | COc1ccc(CCCC(C)(C)C)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4748702 | 180103 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 507 | 12 | 1 | 4 | 7.3 | COc1ccc(CCCC(C)(C)C)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 134538585 | 163611 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 518 | 9 | 3 | 5 | 6.3 | Cc1cc(OCCC(C)(C)O)cc(C)c1-c1ccc(F)c2c1CC[C@H]2Nc1ccc([C@H]2C[C@@H]2C(=O)O)nc1 | 10.1021/acsmedchemlett.8b00343 | ||
| CHEMBL4203974 | 163611 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 518 | 9 | 3 | 5 | 6.3 | Cc1cc(OCCC(C)(C)O)cc(C)c1-c1ccc(F)c2c1CC[C@H]2Nc1ccc([C@H]2C[C@@H]2C(=O)O)nc1 | 10.1021/acsmedchemlett.8b00343 | ||
| 15603842 | 111773 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 461 | 8 | 1 | 5 | 5.6 | Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3ncnn3C)cc2)c1 | 10.1021/ml400501x | ||
| CHEMBL3287570 | 111773 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 461 | 8 | 1 | 5 | 5.6 | Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3ncnn3C)cc2)c1 | 10.1021/ml400501x | ||
| 91809187 | 147099 | 13 | None | -3 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 439 | 7 | 1 | 5 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cccc4C)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL3927519 | 147099 | 13 | None | -3 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 439 | 7 | 1 | 5 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cccc4C)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 118645715 | 181463 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 517 | 10 | 1 | 6 | 6.4 | COc1cc(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C2=CCCC2(C)C)c(F)cn1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4764729 | 181463 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 517 | 10 | 1 | 6 | 6.4 | COc1cc(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C2=CCCC2(C)C)c(F)cn1 | 10.1016/j.bmcl.2018.01.013 | ||
| 162668241 | 182482 | 0 | None | 4 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 515 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2cnc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4787007 | 182482 | 0 | None | 4 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 515 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2cnc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| 67087041 | 182347 | 0 | None | -14 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 542 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3c(Cl)cccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4785057 | 182347 | 0 | None | -14 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 542 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3c(Cl)cccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 162676881 | 183561 | 0 | None | -10 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 536 | 9 | 1 | 4 | 6.6 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C(C)C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4800563 | 183561 | 0 | None | -10 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 536 | 9 | 1 | 4 | 6.6 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C(C)C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 68194237 | 182182 | 0 | None | -4 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 512 | 8 | 1 | 5 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2nc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4783033 | 182182 | 0 | None | -4 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 512 | 8 | 1 | 5 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2nc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 45107312 | 119107 | 5 | None | -2 | 2 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 394 | 7 | 1 | 3 | 5.3 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c2cccc3C(F)(F)F)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3427712 | 119107 | 5 | None | -2 | 2 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 394 | 7 | 1 | 3 | 5.3 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c2cccc3C(F)(F)F)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 118642390 | 162660 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 5.9 | COc1cc(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4170346 | 162660 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 5.9 | COc1cc(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 155544661 | 174921 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 443 | 8 | 1 | 4 | 6.0 | COc1cc(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)ccn1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4565467 | 174921 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 443 | 8 | 1 | 4 | 6.0 | COc1cc(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)ccn1 | 10.1016/j.bmcl.2019.04.050 | ||
| 127045659 | 139668 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 387 | 7 | 1 | 4 | 4.8 | Cc1noc(C)c1-c1ccc(F)c(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3798044 | 139668 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 387 | 7 | 1 | 4 | 4.8 | Cc1noc(C)c1-c1ccc(F)c(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| 71613520 | 89949 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 380 | 3 | 1 | 4 | 4.2 | O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1cccc(C(F)(F)F)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381289 | 89949 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 380 | 3 | 1 | 4 | 4.2 | O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1cccc(C(F)(F)F)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| 57706778 | 80768 | 29 | None | 8 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL2152070 | 80768 | 29 | None | 8 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| 147329931 | 175378 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 409 | 9 | 2 | 4 | 5.3 | CCOc1ccc(-c2cccc(CNc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL4575598 | 175378 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 409 | 9 | 2 | 4 | 5.3 | CCOc1ccc(-c2cccc(CNc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| 134137874 | 152957 | 0 | None | 1995 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 461 | 11 | 1 | 4 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C(C)C)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3930086 | 152957 | 0 | None | 1995 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 461 | 11 | 1 | 4 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C(C)C)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3975239 | 152957 | 0 | None | 1995 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 461 | 11 | 1 | 4 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C(C)C)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| 168273613 | 190244 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 468 | 6 | 1 | 5 | 5.6 | O=C(O)C[C@@H]1COc2cc(OCc3ccc4nc(-c5ccc(C(F)(F)F)cc5)cn4c3)ccc21 | 10.1016/j.bmcl.2021.127969 | ||
| CHEMBL5175525 | 190244 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 468 | 6 | 1 | 5 | 5.6 | O=C(O)C[C@@H]1COc2cc(OCc3ccc4nc(-c5ccc(C(F)(F)F)cc5)cn4c3)ccc21 | 10.1016/j.bmcl.2021.127969 | ||
| 57705555 | 163576 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 518 | 11 | 1 | 3 | 8.7 | CCC[C@H](CC(=O)O)c1cccc(OCc2ccc(-c3cc(OC)ccc3F)c([C@@H]3CCCC3(C)C)c2)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| CHEMBL4203561 | 163576 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 518 | 11 | 1 | 3 | 8.7 | CCC[C@H](CC(=O)O)c1cccc(OCc2ccc(-c3cc(OC)ccc3F)c([C@@H]3CCCC3(C)C)c2)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| 57400637 | 69994 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 324 | 7 | 1 | 3 | 3.9 | CC#CC(CC(=O)O)c1ccc(OCc2cccc(OC)c2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| CHEMBL1939650 | 69994 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 324 | 7 | 1 | 3 | 3.9 | CC#CC(CC(=O)O)c1ccc(OCc2cccc(OC)c2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| 137644989 | 158491 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 391 | 7 | 1 | 4 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(C(C#N)CC(=O)O)s2)c1 | 10.1021/acs.jmedchem.6b01357 | ||
| CHEMBL4091211 | 158491 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 391 | 7 | 1 | 4 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(C(C#N)CC(=O)O)s2)c1 | 10.1021/acs.jmedchem.6b01357 | ||
| 132606863 | 157799 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4083365 | 157799 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 58218709 | 158394 | 0 | None | 4 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 393 | 5 | 1 | 3 | 5.3 | Cc1cccc(Oc2ccc(N3C[C@@H](C(F)(F)F)C[C@H]3CC(=O)O)cc2)c1C | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4090240 | 158394 | 0 | None | 4 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 393 | 5 | 1 | 3 | 5.3 | Cc1cccc(Oc2ccc(N3C[C@@H](C(F)(F)F)C[C@H]3CC(=O)O)cc2)c1C | 10.1021/acs.jmedchem.6b01559 | ||
| 90151764 | 156978 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 526 | 7 | 1 | 7 | 5.0 | COc1cc(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c(Cl)cn1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4073270 | 156978 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 526 | 7 | 1 | 7 | 5.0 | COc1cc(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c(Cl)cn1 | 10.1021/acs.jmedchem.7b00982 | ||
| 77845055 | 159761 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 509 | 7 | 1 | 6 | 5.1 | COc1ccc(F)c(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4105324 | 159761 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 509 | 7 | 1 | 6 | 5.1 | COc1ccc(F)c(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| 145990980 | 166735 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 386 | 6 | 1 | 4 | 4.1 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3cc(Cl)ccc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4283655 | 166735 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 386 | 6 | 1 | 4 | 4.1 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3cc(Cl)ccc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 122193742 | 123945 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 396 | 7 | 2 | 4 | 4.9 | Cc1cc(O)cc(C)c1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2015.10.011 | ||
| CHEMBL3628762 | 123945 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 396 | 7 | 2 | 4 | 4.9 | Cc1cc(O)cc(C)c1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2015.10.011 | ||
| 23136315 | 58801 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 348 | 8 | 1 | 3 | 5.1 | O=C(O)CCc1ccc(OCc2ccccc2Oc2ccccc2)cc1 | 10.1021/jm101405t | ||
| CHEMBL1688456 | 58801 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 348 | 8 | 1 | 3 | 5.1 | O=C(O)CCc1ccc(OCc2ccccc2Oc2ccccc2)cc1 | 10.1021/jm101405t | ||
| 25261464 | 80769 | 2 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300133f | ||
| CHEMBL2152071 | 80769 | 2 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300133f | ||
| 57395404 | 69981 | 2 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 286 | 7 | 1 | 3 | 3.3 | COc1ccc(COc2ccc(CCC(=O)O)cc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| CHEMBL1939637 | 69981 | 2 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 286 | 7 | 1 | 3 | 3.3 | COc1ccc(COc2ccc(CCC(=O)O)cc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| 58218607 | 155916 | 0 | None | -7 | 2 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 323 | 5 | 1 | 2 | 4.3 | Cc1ccccc1Cc1ccc(N2C[C@@H](C)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4061093 | 155916 | 0 | None | -7 | 2 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 323 | 5 | 1 | 2 | 4.3 | Cc1ccccc1Cc1ccc(N2C[C@@H](C)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 137661475 | 159434 | 0 | None | 1 | 2 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@H](C(F)(F)F)C[C@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4101348 | 159434 | 0 | None | 1 | 2 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@H](C(F)(F)F)C[C@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 137651153 | 157180 | 0 | None | -1 | 2 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 371 | 6 | 1 | 4 | 4.7 | CCc1nn(-c2ccccn2)c2cc(-c3ccc(CCC(=O)O)cc3)ccc12 | 10.1021/acs.jmedchem.7b00210 | ||
| CHEMBL4076004 | 157180 | 0 | None | -1 | 2 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 371 | 6 | 1 | 4 | 4.7 | CCc1nn(-c2ccccn2)c2cc(-c3ccc(CCC(=O)O)cc3)ccc12 | 10.1021/acs.jmedchem.7b00210 | ||
| 90644294 | 111934 | 0 | None | -13 | 2 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 375 | 7 | 1 | 3 | 5.3 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(C)n2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288352 | 111934 | 0 | None | -13 | 2 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 375 | 7 | 1 | 3 | 5.3 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(C)n2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 124011385 | 166836 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 344 | 5 | 1 | 3 | 4.5 | O=C(O)C#Cc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.ejmech.2018.08.075 | ||
| CHEMBL4285594 | 166836 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 344 | 5 | 1 | 3 | 4.5 | O=C(O)C#Cc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.ejmech.2018.08.075 | ||
| 137635388 | 155800 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 407 | 6 | 1 | 3 | 5.8 | O=C(O)CC1CCCCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4059947 | 155800 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 407 | 6 | 1 | 3 | 5.8 | O=C(O)CC1CCCCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 137646043 | 157763 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 385 | 6 | 1 | 2 | 5.4 | Cc1ccccc1Cc1ccc(N2CC[C@H](c3ccccc3)[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4082975 | 157763 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 385 | 6 | 1 | 2 | 5.4 | Cc1ccccc1Cc1ccc(N2CC[C@H](c3ccccc3)[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 145985122 | 165884 | 0 | None | -17 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 456 | 11 | 1 | 4 | 5.5 | CO[C@H]1C[C@H](Oc2cc(F)c(F)c(-c3cc(F)c(OCCCCCC(=O)O)c(F)c3)c2)C1 | 10.1016/j.bmcl.2018.06.047 | ||
| CHEMBL4250132 | 165884 | 0 | None | -17 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 456 | 11 | 1 | 4 | 5.5 | CO[C@H]1C[C@H](Oc2cc(F)c(F)c(-c3cc(F)c(OCCCCCC(=O)O)c(F)c3)c2)C1 | 10.1016/j.bmcl.2018.06.047 | ||
| 1049 | 362 | 75 | None | 1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.ejmech.2018.08.075 | ||
| 4618 | 362 | 75 | None | 1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.ejmech.2018.08.075 | ||
| 5280934 | 362 | 75 | None | 1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.ejmech.2018.08.075 | ||
| CHEMBL8739 | 362 | 75 | None | 1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.ejmech.2018.08.075 | ||
| DB00132 | 362 | 75 | None | 1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.ejmech.2018.08.075 | ||
| 71613515 | 89944 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 390 | 3 | 1 | 4 | 3.9 | O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@H](c1cccc(Br)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381283 | 89944 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 390 | 3 | 1 | 4 | 3.9 | O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@H](c1cccc(Br)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| 86803185 | 122438 | 5 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 4.4 | O=C(O)CCc1ccc(OCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3601006 | 122438 | 5 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 4.4 | O=C(O)CCc1ccc(OCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| 137629942 | 161001 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 558 | 12 | 1 | 6 | 6.2 | Cc1ccnc(OCCC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(=O)O)cc5)cc4)CC3)C2)c1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4071849 | 161001 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 558 | 12 | 1 | 6 | 6.2 | Cc1ccnc(OCCC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(=O)O)cc5)cc4)CC3)C2)c1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4116363 | 161001 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 558 | 12 | 1 | 6 | 6.2 | Cc1ccnc(OCCC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(=O)O)cc5)cc4)CC3)C2)c1 | 10.1016/j.ejmech.2017.01.005 | ||
| 54757626 | 65309 | 1 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 265 | 3 | 1 | 2 | 2.8 | Cc1cc(C#Cc2ccc(CCC(=O)O)cc2)ccn1 | 10.1021/jm2005699 | ||
| CHEMBL1829157 | 65309 | 1 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 265 | 3 | 1 | 2 | 2.8 | Cc1cc(C#Cc2ccc(CCC(=O)O)cc2)ccn1 | 10.1021/jm2005699 | ||
| 24825481 | 75896 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 361 | 9 | 2 | 3 | 5.5 | O=C(O)CCCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL205090 | 75896 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 361 | 9 | 2 | 3 | 5.5 | O=C(O)CCCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 134141270 | 146785 | 0 | None | -35 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 334 | 8 | 1 | 3 | 4.6 | CCOc1ccc(Cl)c(-c2ccc(OCCCC(=O)O)cc2)c1 | 10.1016/j.bmcl.2016.10.054 | ||
| CHEMBL3924759 | 146785 | 0 | None | -35 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 334 | 8 | 1 | 3 | 4.6 | CCOc1ccc(Cl)c(-c2ccc(OCCCC(=O)O)cc2)c1 | 10.1016/j.bmcl.2016.10.054 | ||
| 15605424 | 200543 | 3 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 299 | 4 | 1 | 4 | 3.4 | O=C1NC(=O)C(Cc2ccccc2Oc2ccccc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL599067 | 200543 | 3 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 299 | 4 | 1 | 4 | 3.4 | O=C1NC(=O)C(Cc2ccccc2Oc2ccccc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 53248847 | 62117 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 432 | 7 | 1 | 3 | 5.8 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1F | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777855 | 62117 | 0 | None | -1 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 432 | 7 | 1 | 3 | 5.8 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1F | 10.1016/j.bmcl.2011.03.114 | ||
| 145950728 | 162746 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 506 | 8 | 1 | 5 | 5.0 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4171827 | 162746 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 506 | 8 | 1 | 5 | 5.0 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 86803196 | 122439 | 2 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 324 | 7 | 1 | 5 | 3.3 | O=C(O)CCc1ccc(OCc2nc(-c3ccccc3)no2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3601007 | 122439 | 2 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 324 | 7 | 1 | 5 | 3.3 | O=C(O)CCc1ccc(OCc2nc(-c3ccccc3)no2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| 145966017 | 164319 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 411 | 8 | 2 | 6 | 4.0 | Cc1ccc(OCc2nnc(C(=O)Nc3ccc(CCC(=O)O)cc3)s2)cc1C | 10.1016/j.ejmech.2017.09.019 | ||
| CHEMBL4212573 | 164319 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 411 | 8 | 2 | 6 | 4.0 | Cc1ccc(OCc2nnc(C(=O)Nc3ccc(CCC(=O)O)cc3)s2)cc1C | 10.1016/j.ejmech.2017.09.019 | ||
| 145954950 | 161621 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 501 | 9 | 1 | 5 | 5.8 | O=C1NC(=O)C(Cc2ccc(OCCOC(c3ccccc3)c3ccc(C(F)(F)F)cc3)cc2)S1 | 10.1016/j.bmcl.2018.03.051 | ||
| CHEMBL4130213 | 161621 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 501 | 9 | 1 | 5 | 5.8 | O=C1NC(=O)C(Cc2ccc(OCCOC(c3ccccc3)c3ccc(C(F)(F)F)cc3)cc2)S1 | 10.1016/j.bmcl.2018.03.051 | ||
| 145953265 | 162603 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 489 | 8 | 1 | 6 | 4.3 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4cccnc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4169459 | 162603 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 489 | 8 | 1 | 6 | 4.3 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4cccnc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 54580625 | 62135 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 272 | 5 | 1 | 2 | 3.6 | CC#CC(CC(=O)O)c1ccc(OC2CCCC2)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777873 | 62135 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 272 | 5 | 1 | 2 | 3.6 | CC#CC(CC(=O)O)c1ccc(OC2CCCC2)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 127045658 | 139754 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 437 | 7 | 1 | 4 | 5.7 | Cc1noc(C)c1-c1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(C(F)(F)F)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3798642 | 139754 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 437 | 7 | 1 | 4 | 5.7 | Cc1noc(C)c1-c1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(C(F)(F)F)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| 145958971 | 162162 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 500 | 8 | 1 | 4 | 4.9 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4162561 | 162162 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 500 | 8 | 1 | 4 | 4.9 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 44409702 | 140961 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 400 | 8 | 1 | 3 | 5.6 | O=C(CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1)N1CCCC1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL382341 | 140961 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 400 | 8 | 1 | 3 | 5.6 | O=C(CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1)N1CCCC1 | 10.1016/j.bmcl.2006.01.007 | ||
| 137630875 | 161098 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 573 | 12 | 1 | 7 | 5.9 | Cc1cnc(C)c(OCCC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(=O)O)cc5)cc4)CC3)C2)n1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4091587 | 161098 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 573 | 12 | 1 | 7 | 5.9 | Cc1cnc(C)c(OCCC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(=O)O)cc5)cc4)CC3)C2)n1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4117177 | 161098 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 573 | 12 | 1 | 7 | 5.9 | Cc1cnc(C)c(OCCC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(=O)O)cc5)cc4)CC3)C2)n1 | 10.1016/j.ejmech.2017.01.005 | ||
| 57521813 | 76239 | 0 | None | 1 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 400 | 7 | 1 | 2 | 6.0 | O=C(O)CCc1ccc(OCc2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 | 10.1021/jm300215x | ||
| CHEMBL2058524 | 76239 | 0 | None | 1 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 400 | 7 | 1 | 2 | 6.0 | O=C(O)CCc1ccc(OCc2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 | 10.1021/jm300215x | ||
| 23346507 | 88259 | 1 | None | 30 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 255 | 6 | 2 | 2 | 3.3 | O=C(O)CCc1ccc(NCc2ccccc2)cc1 | 10.1021/jm300215x | ||
| CHEMBL234834 | 88259 | 1 | None | 30 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 255 | 6 | 2 | 2 | 3.3 | O=C(O)CCc1ccc(NCc2ccccc2)cc1 | 10.1021/jm300215x | ||
| 3893 | 2274 | 98 | None | -1 | 4 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | 10.1039/C7MD00130D | ||
| 4642 | 2274 | 98 | None | -1 | 4 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | 10.1039/C7MD00130D | ||
| 5534 | 2274 | 98 | None | -1 | 4 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | 10.1039/C7MD00130D | ||
| CHEMBL108766 | 2274 | 98 | None | -1 | 4 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | 10.1039/C7MD00130D | ||
| DB03017 | 2274 | 98 | None | -1 | 4 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | 10.1039/C7MD00130D | ||
| 643684 | 107488 | 63 | None | -8 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 298 | 15 | 2 | 2 | 5.1 | CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O | 10.1039/C7MD00130D | ||
| CHEMBL3186422 | 107488 | 63 | None | -8 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 298 | 15 | 2 | 2 | 5.1 | CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O | 10.1039/C7MD00130D | ||
| 122189680 | 123331 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 361 | 8 | 2 | 4 | 3.4 | CC(C)c1cccc(OCC(=O)Nc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2015.09.010 | ||
| CHEMBL3616660 | 123331 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 361 | 8 | 2 | 4 | 3.4 | CC(C)c1cccc(OCC(=O)Nc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2015.09.010 | ||
| 127025284 | 137721 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 417 | 6 | 1 | 4 | 5.4 | Cc1cccc(C)c1-c1cccc(COc2ccc(CC3SC(=O)NC3=O)cc2)c1 | 10.1016/j.ejmech.2015.12.049 | ||
| CHEMBL3759212 | 137721 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 417 | 6 | 1 | 4 | 5.4 | Cc1cccc(C)c1-c1cccc(COc2ccc(CC3SC(=O)NC3=O)cc2)c1 | 10.1016/j.ejmech.2015.12.049 | ||
| 82051616 | 159433 | 1 | None | -12 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 304 | 6 | 1 | 2 | 4.2 | Cc1cc(CCC(=O)O)ccc1OCc1ccccc1Cl | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4101323 | 159433 | 1 | None | -12 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 304 | 6 | 1 | 2 | 4.2 | Cc1cc(CCC(=O)O)ccc1OCc1ccccc1Cl | 10.1016/j.bmcl.2017.01.034 | ||
| 134130823 | 154414 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 529 | 11 | 1 | 5 | 6.0 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(OCc3ccccc3)CCO4)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| CHEMBL3890182 | 154414 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 529 | 11 | 1 | 5 | 6.0 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(OCc3ccccc3)CCO4)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| CHEMBL3990066 | 154414 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 529 | 11 | 1 | 5 | 6.0 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(OCc3ccccc3)CCO4)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| 118129974 | 157170 | 0 | None | -4 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 575 | 12 | 1 | 8 | 5.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cc(OCCCS(C)(=O)=O)cc4C)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4075819 | 157170 | 0 | None | -4 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 575 | 12 | 1 | 8 | 5.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cc(OCCCS(C)(=O)=O)cc4C)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 145994052 | 167331 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 425 | 7 | 1 | 5 | 4.6 | O=C(O)CC(c1ccncc1)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4294582 | 167331 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 425 | 7 | 1 | 5 | 4.6 | O=C(O)CC(c1ccncc1)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 145966485 | 164326 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 411 | 9 | 2 | 6 | 3.9 | CCc1ccc(OCc2nnc(C(=O)Nc3ccc(CCC(=O)O)cc3)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| CHEMBL4212664 | 164326 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 411 | 9 | 2 | 6 | 3.9 | CCc1ccc(OCc2nnc(C(=O)Nc3ccc(CCC(=O)O)cc3)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| 1051 | 1443 | 63 | None | -14 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | 10.1021/acsmedchemlett.6b00025 | ||
| 4289 | 1443 | 63 | None | -14 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | 10.1021/acsmedchemlett.6b00025 | ||
| 445580 | 1443 | 63 | None | -14 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | 10.1021/acsmedchemlett.6b00025 | ||
| 57417355 | 1443 | 63 | None | -14 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | 10.1021/acsmedchemlett.6b00025 | ||
| CHEMBL367149 | 1443 | 63 | None | -14 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | 10.1021/acsmedchemlett.6b00025 | ||
| DB03756 | 1443 | 63 | None | -14 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | 10.1021/acsmedchemlett.6b00025 | ||
| 127030730 | 138789 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 395 | 6 | 1 | 5 | 5.0 | Cc1cccc(-c2nc(C)c(COc3ccc4c(c3)OCC4CC(=O)O)s2)c1 | 10.1016/j.ejmech.2016.02.040 | ||
| CHEMBL3781145 | 138789 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 395 | 6 | 1 | 5 | 5.0 | Cc1cccc(-c2nc(C)c(COc3ccc4c(c3)OCC4CC(=O)O)s2)c1 | 10.1016/j.ejmech.2016.02.040 | ||
| 90151568 | 157547 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 489 | 7 | 1 | 5 | 5.5 | CCc1cccc(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4080516 | 157547 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 489 | 7 | 1 | 5 | 5.5 | CCc1cccc(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| 137633536 | 156271 | 0 | None | -173 | 6 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 368 | 7 | 1 | 3 | 4.6 | COc1ccc(C(F)(F)F)cc1COc1ccc(CCC(=O)O)cc1C | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4065397 | 156271 | 0 | None | -173 | 6 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 368 | 7 | 1 | 3 | 4.6 | COc1ccc(C(F)(F)F)cc1COc1ccc(CCC(=O)O)cc1C | 10.1016/j.bmcl.2017.01.034 | ||
| 46231549 | 200474 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 333 | 4 | 1 | 4 | 4.0 | O=C1NC(=O)C(Cc2ccc(Oc3ccccc3Cl)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL598674 | 200474 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 333 | 4 | 1 | 4 | 4.0 | O=C1NC(=O)C(Cc2ccc(Oc3ccccc3Cl)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 91809187 | 147099 | 13 | None | -3 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 439 | 7 | 1 | 5 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cccc4C)nn3c2)cc1 | 10.1016/j.bmcl.2016.10.074 | ||
| CHEMBL3927519 | 147099 | 13 | None | -3 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 439 | 7 | 1 | 5 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cccc4C)nn3c2)cc1 | 10.1016/j.bmcl.2016.10.074 | ||
| 127050768 | 140264 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 401 | 8 | 2 | 6 | 3.5 | O=C(O)CCc1ccc(OCc2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 | 10.1016/j.bmc.2016.04.065 | ||
| CHEMBL3805903 | 140264 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 401 | 8 | 2 | 6 | 3.5 | O=C(O)CCc1ccc(OCc2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 | 10.1016/j.bmc.2016.04.065 | ||
| 131986116 | 163800 | 0 | None | -1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 600 | 12 | 1 | 8 | 6.1 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCCCS(C)(=O)=O)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4206318 | 163800 | 0 | None | -1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 600 | 12 | 1 | 8 | 6.1 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCCCS(C)(=O)=O)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 58173002 | 122644 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 386 | 8 | 1 | 3 | 5.3 | CCOC(CC(=O)O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1F | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604037 | 122644 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 386 | 8 | 1 | 3 | 5.3 | CCOC(CC(=O)O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1F | 10.1016/j.bmc.2015.07.028 | ||
| 122185439 | 122655 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 334 | 8 | 1 | 3 | 4.5 | CCOC(CC(=O)O)c1ccc(OCc2ccc(Cl)cc2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604047 | 122655 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 334 | 8 | 1 | 3 | 4.5 | CCOC(CC(=O)O)c1ccc(OCc2ccc(Cl)cc2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 45107317 | 122669 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 354 | 8 | 1 | 3 | 4.9 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c(CC)cccc32)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604061 | 122669 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 354 | 8 | 1 | 3 | 4.9 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c(CC)cccc32)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 122185451 | 122670 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 368 | 8 | 1 | 3 | 5.4 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c(C(C)C)cccc32)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604062 | 122670 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 368 | 8 | 1 | 3 | 5.4 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c(C(C)C)cccc32)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 127046961 | 140032 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 383 | 7 | 1 | 4 | 5.0 | Cc1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(-c2c(C)noc2C)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3800362 | 140032 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 383 | 7 | 1 | 4 | 5.0 | Cc1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(-c2c(C)noc2C)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| 90479828 | 183060 | 10 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 614 | 12 | 1 | 7 | 6.8 | COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(COc3cc([C@@H](CC(=O)O)C4CC4)ccn3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4794409 | 183060 | 10 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 614 | 12 | 1 | 7 | 6.8 | COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(COc3cc([C@@H](CC(=O)O)C4CC4)ccn3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 57413288 | 75794 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 390 | 8 | 1 | 3 | 5.6 | COc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048614 | 75794 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 390 | 8 | 1 | 3 | 5.6 | COc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| 51357276 | 181983 | 0 | None | -10 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 508 | 8 | 1 | 4 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4780641 | 181983 | 0 | None | -10 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 508 | 8 | 1 | 4 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 68194127 | 183171 | 0 | None | -1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 498 | 8 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ncc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4795763 | 183171 | 0 | None | -1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 498 | 8 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ncc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 52936292 | 182086 | 27 | None | -7 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 497 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4782004 | 182086 | 27 | None | -7 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 497 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 131986179 | 164773 | 0 | None | 1 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 532 | 7 | 1 | 5 | 7.3 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C(F)(F)F)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4218348 | 164773 | 0 | None | 1 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 532 | 7 | 1 | 5 | 7.3 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C(F)(F)F)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 11245322 | 77113 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 359 | 7 | 2 | 3 | 5.3 | O=C(O)[C@H]1C[C@@H]1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL207753 | 77113 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 359 | 7 | 2 | 3 | 5.3 | O=C(O)[C@H]1C[C@@H]1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 162646017 | 179448 | 0 | None | 5 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 516 | 10 | 1 | 5 | 7.0 | COc1ccc(F)c(-c2cnc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4740846 | 179448 | 0 | None | 5 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 516 | 10 | 1 | 5 | 7.0 | COc1ccc(F)c(-c2cnc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| 11773976 | 74752 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 400 | 8 | 2 | 3 | 5.7 | CC(C)NC(=O)[C@H]1C[C@@H]1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL203126 | 74752 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 400 | 8 | 2 | 3 | 5.7 | CC(C)NC(=O)[C@H]1C[C@@H]1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 46941175 | 61782 | 26 | None | -1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 345 | 7 | 2 | 2 | 5.3 | Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm300215x | ||
| CHEMBL1773261 | 61782 | 26 | None | -1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 345 | 7 | 2 | 2 | 5.3 | Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm300215x | ||
| 44409878 | 140834 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 419 | 7 | 2 | 4 | 5.2 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(CCC(N)=O)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL381958 | 140834 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 419 | 7 | 2 | 4 | 5.2 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(CCC(N)=O)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 51350270 | 58809 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1ccc(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)cc1 | 10.1021/jm101405t | ||
| CHEMBL1688463 | 58809 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1ccc(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)cc1 | 10.1021/jm101405t | ||
| 51350274 | 58829 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 350 | 7 | 1 | 2 | 5.1 | O=C(O)CCc1ccc(OCc2cccc(-c3ccccc3F)c2)cc1 | 10.1021/jm101405t | ||
| CHEMBL1688483 | 58829 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 350 | 7 | 1 | 2 | 5.1 | O=C(O)CCc1ccc(OCc2cccc(-c3ccccc3F)c2)cc1 | 10.1021/jm101405t | ||
| 57705851 | 163760 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 522 | 10 | 1 | 3 | 8.5 | CC[C@H](CC(=O)O)c1cccc(OCc2ccc(-c3cc(OC)ccc3F)c([C@@H]3CCCC3(C)C)c2)c1F | 10.1021/acsmedchemlett.8b00213 | ||
| CHEMBL4205882 | 163760 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 522 | 10 | 1 | 3 | 8.5 | CC[C@H](CC(=O)O)c1cccc(OCc2ccc(-c3cc(OC)ccc3F)c([C@@H]3CCCC3(C)C)c2)c1F | 10.1021/acsmedchemlett.8b00213 | ||
| 155516879 | 170075 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 446 | 7 | 1 | 4 | 5.3 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4ccc(F)cc4)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| CHEMBL4443509 | 170075 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 446 | 7 | 1 | 4 | 5.3 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4ccc(F)cc4)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| 155522406 | 170602 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 456 | 7 | 1 | 4 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4c(C)cccc4C)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| CHEMBL4451050 | 170602 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 456 | 7 | 1 | 4 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4c(C)cccc4C)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| 46231597 | 200172 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 352 | 4 | 1 | 5 | 3.9 | Cc1cc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc(C)c1C#N | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL596667 | 200172 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 352 | 4 | 1 | 5 | 3.9 | Cc1cc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc(C)c1C#N | 10.1016/j.bmcl.2009.10.052 | ||
| 57398937 | 69985 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 340 | 8 | 1 | 3 | 4.8 | COc1ccc(COc2ccc(C(C=C(C)C)CC(=O)O)cc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| CHEMBL1939641 | 69985 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 340 | 8 | 1 | 3 | 4.8 | COc1ccc(COc2ccc(C(C=C(C)C)CC(=O)O)cc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| 122185450 | 122668 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 341 | 7 | 1 | 5 | 4.5 | CCO[C@@H](CC(=O)O)c1ccc(Oc2noc3c(C)cccc23)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604060 | 122668 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 341 | 7 | 1 | 5 | 4.5 | CCO[C@@H](CC(=O)O)c1ccc(Oc2noc3c(C)cccc23)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 90644298 | 111938 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 391 | 8 | 1 | 4 | 4.6 | COC(Cc1ccc(OCc2cccc(-c3c(C)cccc3C)c2)nc1)C(=O)O | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288356 | 111938 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 391 | 8 | 1 | 4 | 4.6 | COC(Cc1ccc(OCc2cccc(-c3c(C)cccc3C)c2)nc1)C(=O)O | 10.1016/j.bmcl.2014.04.065 | ||
| 121294346 | 180100 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 617 | 13 | 1 | 7 | 6.6 | COCC(CC(=O)O)c1cccc(OCC2CCN(c3cc(OC)ccc3C(=O)N(CC(C)(C)C)c3cccc(C)n3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4748658 | 180100 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 617 | 13 | 1 | 7 | 6.6 | COCC(CC(=O)O)c1cccc(OCC2CCN(c3cc(OC)ccc3C(=O)N(CC(C)(C)C)c3cccc(C)n3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 146314488 | 181117 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 451 | 10 | 1 | 4 | 6.1 | COc1ccc(C(C)C)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4760668 | 181117 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 451 | 10 | 1 | 4 | 6.1 | COc1ccc(C(C)C)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 67085761 | 157001 | 0 | None | 12 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 485 | 8 | 1 | 4 | 6.6 | Cc1cc(OCc2ccccc2)ccc1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4073525 | 157001 | 0 | None | 12 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 485 | 8 | 1 | 4 | 6.6 | Cc1cc(OCc2ccccc2)ccc1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 58218640 | 158898 | 0 | None | 15 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 323 | 5 | 1 | 2 | 4.3 | Cc1ccccc1Cc1ccc(N2CC[C@H](C)[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4095599 | 158898 | 0 | None | 15 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 323 | 5 | 1 | 2 | 4.3 | Cc1ccccc1Cc1ccc(N2CC[C@H](C)[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 145979171 | 166503 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 366 | 6 | 1 | 4 | 3.8 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(C)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4279126 | 166503 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 366 | 6 | 1 | 4 | 3.8 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(C)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 54757737 | 65317 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 283 | 3 | 1 | 2 | 2.9 | Cc1c(C#Cc2ccc(CCC(=O)O)cc2)ccnc1F | 10.1021/jm2005699 | ||
| CHEMBL1829165 | 65317 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 283 | 3 | 1 | 2 | 2.9 | Cc1c(C#Cc2ccc(CCC(=O)O)cc2)ccnc1F | 10.1021/jm2005699 | ||
| 51350273 | 58828 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 362 | 8 | 1 | 3 | 5.0 | COc1ccccc1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/ml100106c | ||
| CHEMBL1688482 | 58828 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 362 | 8 | 1 | 3 | 5.0 | COc1ccccc1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/ml100106c | ||
| 71613094 | 89958 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 570 | 9 | 1 | 7 | 5.4 | Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc([C@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381298 | 89958 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 570 | 9 | 1 | 7 | 5.4 | Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc([C@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| 75511307 | 122440 | 4 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 358 | 7 | 1 | 5 | 4.0 | O=C(O)CCc1ccc(OCc2nc(-c3ccccc3Cl)no2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3601008 | 122440 | 4 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 358 | 7 | 1 | 5 | 4.0 | O=C(O)CCc1ccc(OCc2nc(-c3ccccc3Cl)no2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| 71460190 | 80635 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 380 | 8 | 1 | 3 | 5.1 | COc1ccc(F)c(-c2ccc(COc3cccc(CCC(=O)O)c3)cc2)c1 | 10.1021/ml300133f | ||
| CHEMBL2151292 | 80635 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 380 | 8 | 1 | 3 | 5.1 | COc1ccc(F)c(-c2ccc(COc3cccc(CCC(=O)O)c3)cc2)c1 | 10.1021/ml300133f | ||
| 71454737 | 80646 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 512 | 9 | 1 | 3 | 8.0 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)c4ccccc4)c3)cc2C(C)(C)C)c1 | 10.1021/ml300133f | ||
| CHEMBL2151302 | 80646 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 512 | 9 | 1 | 3 | 8.0 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)c4ccccc4)c3)cc2C(C)(C)C)c1 | 10.1021/ml300133f | ||
| 1050 | 1889 | 94 | None | -1 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/jm0614782 | ||
| 11595431 | 1889 | 94 | None | -1 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/jm0614782 | ||
| CHEMBL207881 | 1889 | 94 | None | -1 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/jm0614782 | ||
| 57391958 | 69986 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 326 | 7 | 1 | 3 | 4.5 | COc1ccc(COc2ccc(C(CC(=O)O)=C(C)C)cc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| CHEMBL1939642 | 69986 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 326 | 7 | 1 | 3 | 4.5 | COc1ccc(COc2ccc(C(CC(=O)O)=C(C)C)cc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| 57391960 | 69995 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 370 | 7 | 1 | 2 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| CHEMBL1939651 | 69995 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 370 | 7 | 1 | 2 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| 130253300 | 159087 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 428 | 7 | 1 | 5 | 4.3 | COc1ccc(F)c(N2CCC(Oc3ccc(N4CCC[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4097617 | 159087 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 428 | 7 | 1 | 5 | 4.3 | COc1ccc(F)c(N2CCC(Oc3ccc(N4CCC[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| 137659366 | 159407 | 0 | None | -1 | 2 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 391 | 5 | 1 | 4 | 5.1 | Cc1nn(-c2ccccn2)c2cc(-c3ccc(CCC(=O)O)cc3Cl)ccc12 | 10.1021/acs.jmedchem.7b00210 | ||
| CHEMBL4101071 | 159407 | 0 | None | -1 | 2 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 391 | 5 | 1 | 4 | 5.1 | Cc1nn(-c2ccccn2)c2cc(-c3ccc(CCC(=O)O)cc3Cl)ccc12 | 10.1021/acs.jmedchem.7b00210 | ||
| 145946817 | 167569 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 505 | 8 | 1 | 4 | 6.4 | O=C(O)C[C@@H]1COc2cc(OCc3cccc(-c4ccc5c(c4)CCN(Cc4ccccc4)C5)c3)ccc21 | 10.1016/j.bmcl.2018.07.048 | ||
| CHEMBL4248694 | 167569 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 505 | 8 | 1 | 4 | 6.4 | O=C(O)C[C@@H]1COc2cc(OCc3cccc(-c4ccc5c(c4)CCN(Cc4ccccc4)C5)c3)ccc21 | 10.1016/j.bmcl.2018.07.048 | ||
| CHEMBL4300846 | 167569 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 505 | 8 | 1 | 4 | 6.4 | O=C(O)C[C@@H]1COc2cc(OCc3cccc(-c4ccc5c(c4)CCN(Cc4ccccc4)C5)c3)ccc21 | 10.1016/j.bmcl.2018.07.048 | ||
| 118642390 | 162660 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 5.9 | COc1cc(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4170346 | 162660 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 5.9 | COc1cc(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 142738575 | 162961 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 283 | 4 | 2 | 1 | 4.0 | O=C(O)CCc1ccc2[nH]c(-c3ccccc3F)cc2c1 | 10.1021/acsmedchemlett.7b00460 | ||
| CHEMBL4175260 | 162961 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 283 | 4 | 2 | 1 | 4.0 | O=C(O)CCc1ccc2[nH]c(-c3ccccc3F)cc2c1 | 10.1021/acsmedchemlett.7b00460 | ||
| 46231546 | 200584 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 327 | 4 | 1 | 4 | 4.0 | Cc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)c(C)c1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL599280 | 200584 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 327 | 4 | 1 | 4 | 4.0 | Cc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)c(C)c1 | 10.1016/j.bmcl.2009.10.052 | ||
| 118719473 | 115509 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 498 | 12 | 1 | 6 | 4.8 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(OCC(=O)O)cc2)c1 | 10.1016/j.bmc.2014.11.016 | ||
| CHEMBL3353261 | 115509 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 498 | 12 | 1 | 6 | 4.8 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(OCC(=O)O)cc2)c1 | 10.1016/j.bmc.2014.11.016 | ||
| 122189682 | 123332 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 375 | 7 | 2 | 4 | 3.6 | CC(C)(C)c1cccc(OCC(=O)Nc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2015.09.010 | ||
| CHEMBL3616662 | 123332 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 375 | 7 | 2 | 4 | 3.6 | CC(C)(C)c1cccc(OCC(=O)Nc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2015.09.010 | ||
| 137642174 | 161194 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 625 | 13 | 1 | 7 | 6.7 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3nc(C5CC5)nc5c3CCC5)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4091100 | 161194 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 625 | 13 | 1 | 7 | 6.7 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3nc(C5CC5)nc5c3CCC5)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4117940 | 161194 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 625 | 13 | 1 | 7 | 6.7 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3nc(C5CC5)nc5c3CCC5)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| 90372616 | 142208 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 530 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C(OC)C2CC2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3884609 | 142208 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 530 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C(OC)C2CC2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 71615467 | 89961 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 538 | 9 | 1 | 7 | 4.9 | Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(C2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381301 | 89961 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 538 | 9 | 1 | 7 | 4.9 | Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(C2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| 1646307 | 94974 | 12 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 385 | 7 | 1 | 4 | 4.7 | O=C(O)CCCCCN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S | 10.1021/jm7012425 | ||
| CHEMBL254859 | 94974 | 12 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 385 | 7 | 1 | 4 | 4.7 | O=C(O)CCCCCN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S | 10.1021/jm7012425 | ||
| 118623088 | 142102 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 446 | 7 | 1 | 3 | 6.5 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL3883407 | 142102 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 446 | 7 | 1 | 3 | 6.5 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| 134130352 | 142120 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 540 | 8 | 1 | 3 | 8.7 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C2=CCCC2(C)C)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883532 | 142120 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 540 | 8 | 1 | 3 | 8.7 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C2=CCCC2(C)C)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 58319098 | 86513 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 278 | 3 | 1 | 1 | 3.7 | Cc1ccc(C)c(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm301470a | ||
| CHEMBL2315541 | 86513 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 278 | 3 | 1 | 1 | 3.7 | Cc1ccc(C)c(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm301470a | ||
| 145976935 | 163887 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 434 | 7 | 1 | 4 | 6.2 | COc1cc(C)c(-c2cccc(COc3ccc4c(c3)SCC4CC(=O)O)c2)c(C)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4207283 | 163887 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 434 | 7 | 1 | 4 | 6.2 | COc1cc(C)c(-c2cccc(COc3ccc4c(c3)SCC4CC(=O)O)c2)c(C)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| 127029851 | 138837 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 411 | 7 | 1 | 6 | 4.7 | COc1ccc(-c2nc(C)c(COc3ccc4c(c3)OCC4CC(=O)O)s2)cc1 | 10.1016/j.ejmech.2016.02.040 | ||
| CHEMBL3781779 | 138837 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 411 | 7 | 1 | 6 | 4.7 | COc1ccc(-c2nc(C)c(COc3ccc4c(c3)OCC4CC(=O)O)s2)cc1 | 10.1016/j.ejmech.2016.02.040 | ||
| 24825489 | 87294 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 317 | 6 | 2 | 2 | 4.6 | O=C(O)Cc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| CHEMBL233223 | 87294 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 317 | 6 | 2 | 2 | 4.6 | O=C(O)Cc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| 46231485 | 200293 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 313 | 4 | 1 | 4 | 3.7 | Cc1ccccc1Oc1ccc(CC2SC(=O)NC2=O)cc1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL597436 | 200293 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 313 | 4 | 1 | 4 | 3.7 | Cc1ccccc1Oc1ccc(CC2SC(=O)NC2=O)cc1 | 10.1016/j.bmcl.2009.10.052 | ||
| 53248848 | 62138 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 455 | 6 | 1 | 5 | 4.8 | CC#CC(c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)C1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777876 | 62138 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 455 | 6 | 1 | 5 | 4.8 | CC#CC(c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)C1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| 54580625 | 62135 | 0 | None | 1 | 2 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 272 | 5 | 1 | 2 | 3.6 | CC#CC(CC(=O)O)c1ccc(OC2CCCC2)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777873 | 62135 | 0 | None | 1 | 2 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 272 | 5 | 1 | 2 | 3.6 | CC#CC(CC(=O)O)c1ccc(OC2CCCC2)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 54586485 | 62127 | 0 | None | -2 | 2 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 398 | 5 | 1 | 2 | 6.2 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)c3ccccc23)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777865 | 62127 | 0 | None | -2 | 2 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 398 | 5 | 1 | 2 | 6.2 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)c3ccccc23)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 71615470 | 89964 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 576 | 9 | 1 | 7 | 5.4 | CS(=O)(=O)CCCOc1ccc(-c2cc(C3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)ccc2F)c(Cl)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381304 | 89964 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 576 | 9 | 1 | 7 | 5.4 | CS(=O)(=O)CCCOc1ccc(-c2cc(C3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)ccc2F)c(Cl)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| 145976845 | 163707 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 484 | 11 | 1 | 6 | 4.4 | COCCOc1cc(C)c(-c2cccc(COc3ccc(S(=O)(=O)CC(=O)O)cc3)c2)c(C)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4205241 | 163707 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 484 | 11 | 1 | 6 | 4.4 | COCCOc1cc(C)c(-c2cccc(COc3ccc(S(=O)(=O)CC(=O)O)cc3)c2)c(C)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| 54583099 | 61781 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 345 | 7 | 2 | 2 | 5.3 | Cc1ccc(-c2cccc(CNc3ccc(CCC(=O)O)cc3)c2)cc1 | 10.1021/ml100106c | ||
| CHEMBL1773260 | 61781 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 345 | 7 | 2 | 2 | 5.3 | Cc1ccc(-c2cccc(CNc3ccc(CCC(=O)O)cc3)c2)cc1 | 10.1021/ml100106c | ||
| 44409699 | 140318 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 361 | 8 | 2 | 3 | 5.7 | CC(CC(=O)O)c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL380719 | 140318 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 361 | 8 | 2 | 3 | 5.7 | CC(CC(=O)O)c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 134130859 | 142158 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 416 | 6 | 1 | 2 | 6.9 | CC1(C)CCC=C1c1cccc(C2CCc3ccc([C@@H](CC(=O)O)C4CC4)cc3O2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883983 | 142158 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 416 | 6 | 1 | 2 | 6.9 | CC1(C)CCC=C1c1cccc(C2CCc3ccc([C@@H](CC(=O)O)C4CC4)cc3O2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 24825505 | 148251 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 285 | 7 | 2 | 3 | 3.3 | COc1ccc(CNc2ccc(CCC(=O)O)cc2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| CHEMBL393661 | 148251 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 285 | 7 | 2 | 3 | 3.3 | COc1ccc(CNc2ccc(CCC(=O)O)cc2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| 10131213 | 179305 | 3 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 252 | 3 | 1 | 2 | 2.6 | O=C(O)COc1ccc(C#Cc2ccccc2)cc1 | 10.1021/jm8010178 | ||
| CHEMBL473459 | 179305 | 3 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 252 | 3 | 1 | 2 | 2.6 | O=C(O)COc1ccc(C#Cc2ccccc2)cc1 | 10.1021/jm8010178 | ||
| 137633536 | 156271 | 0 | None | -173 | 6 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 368 | 7 | 1 | 3 | 4.6 | COc1ccc(C(F)(F)F)cc1COc1ccc(CCC(=O)O)cc1C | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4065397 | 156271 | 0 | None | -173 | 6 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 368 | 7 | 1 | 3 | 4.6 | COc1ccc(C(F)(F)F)cc1COc1ccc(CCC(=O)O)cc1C | 10.1016/j.bmcl.2017.01.034 | ||
| 137647721 | 157806 | 0 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 370 | 7 | 1 | 3 | 5.5 | CC(CC(=O)O)c1ccc(OCc2ccccc2SC(F)(F)F)cc1 | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4083440 | 157806 | 0 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 370 | 7 | 1 | 3 | 5.5 | CC(CC(=O)O)c1ccc(OCc2ccccc2SC(F)(F)F)cc1 | 10.1016/j.bmcl.2017.01.034 | ||
| 82051616 | 159433 | 1 | None | -12 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 304 | 6 | 1 | 2 | 4.2 | Cc1cc(CCC(=O)O)ccc1OCc1ccccc1Cl | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4101323 | 159433 | 1 | None | -12 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 304 | 6 | 1 | 2 | 4.2 | Cc1cc(CCC(=O)O)ccc1OCc1ccccc1Cl | 10.1016/j.bmcl.2017.01.034 | ||
| 54584097 | 61771 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 382 | 6 | 1 | 2 | 3.9 | O=C(O)CCc1ccc(OCc2ccccc2)c(I)c1 | 10.1021/ml100106c | ||
| CHEMBL1773250 | 61771 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 382 | 6 | 1 | 2 | 3.9 | O=C(O)CCc1ccc(OCc2ccccc2)c(I)c1 | 10.1021/ml100106c | ||
| 75511312 | 122477 | 3 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 402 | 7 | 1 | 5 | 4.1 | O=C(O)CCc1ccc(OCc2nc(-c3cccc(Br)c3)no2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3601049 | 122477 | 3 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 402 | 7 | 1 | 5 | 4.1 | O=C(O)CCc1ccc(OCc2nc(-c3cccc(Br)c3)no2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| 137629014 | 160961 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 585 | 12 | 1 | 7 | 5.8 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ncnc5c3CCC5)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4063785 | 160961 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 585 | 12 | 1 | 7 | 5.8 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ncnc5c3CCC5)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4116078 | 160961 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 585 | 12 | 1 | 7 | 5.8 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ncnc5c3CCC5)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| 54580624 | 62122 | 0 | None | -2 | 2 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 362 | 5 | 1 | 2 | 5.4 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2C)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777860 | 62122 | 0 | None | -2 | 2 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 362 | 5 | 1 | 2 | 5.4 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2C)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 118623101 | 167565 | 0 | None | -12 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4159416 | 167565 | 0 | None | -12 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4300796 | 167565 | 0 | None | -12 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| 118642344 | 142097 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc([C@H]3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883380 | 142097 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc([C@H]3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 91801188 | 169551 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 478 | 8 | 1 | 3 | 6.9 | COc1ccc(F)c(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2F)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4435837 | 169551 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 478 | 8 | 1 | 3 | 6.9 | COc1ccc(F)c(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2F)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 134151755 | 154427 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 581 | 10 | 1 | 4 | 7.3 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccc(C(F)(F)F)cc3)CCO4)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| CHEMBL3976110 | 154427 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 581 | 10 | 1 | 4 | 7.3 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccc(C(F)(F)F)cc3)CCO4)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| CHEMBL3990146 | 154427 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 581 | 10 | 1 | 4 | 7.3 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccc(C(F)(F)F)cc3)CCO4)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| 137630599 | 161069 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 559 | 12 | 1 | 7 | 5.6 | Cc1nccnc1OCCC1CCOC2(CCN(Cc3ccc(COc4ccc(CCC(=O)O)cc4)cc3)CC2)C1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4072869 | 161069 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 559 | 12 | 1 | 7 | 5.6 | Cc1nccnc1OCCC1CCOC2(CCN(Cc3ccc(COc4ccc(CCC(=O)O)cc4)cc3)CC2)C1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4116895 | 161069 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 559 | 12 | 1 | 7 | 5.6 | Cc1nccnc1OCCC1CCOC2(CCN(Cc3ccc(COc4ccc(CCC(=O)O)cc4)cc3)CC2)C1 | 10.1016/j.ejmech.2017.01.005 | ||
| 131986090 | 164268 | 0 | None | 5 | 2 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 542 | 8 | 1 | 7 | 5.7 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(S(C)(=O)=O)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4212041 | 164268 | 0 | None | 5 | 2 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 542 | 8 | 1 | 7 | 5.7 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(S(C)(=O)=O)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 145967994 | 164764 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 399 | 7 | 1 | 5 | 3.5 | Cc1ccc(C)n1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4218236 | 164764 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 399 | 7 | 1 | 5 | 3.5 | Cc1ccc(C)n1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| 127048827 | 140258 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 371 | 6 | 2 | 5 | 3.6 | O=C(O)CCc1nnc(C(=O)Nc2cccc(-c3ccc(F)cc3)c2)s1 | 10.1016/j.bmc.2016.04.065 | ||
| CHEMBL3805879 | 140258 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 371 | 6 | 2 | 5 | 3.6 | O=C(O)CCc1nnc(C(=O)Nc2cccc(-c3ccc(F)cc3)c2)s1 | 10.1016/j.bmc.2016.04.065 | ||
| 142738582 | 184496 | 0 | None | 42 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 293 | 4 | 2 | 1 | 4.5 | Cc1ccc(C)c(-c2cc3cc(CCC(=O)O)ccc3[nH]2)c1 | 10.1021/acs.jmedchem.1c00031 | ||
| CHEMBL4847662 | 184496 | 0 | None | 42 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 293 | 4 | 2 | 1 | 4.5 | Cc1ccc(C)c(-c2cc3cc(CCC(=O)O)ccc3[nH]2)c1 | 10.1021/acs.jmedchem.1c00031 | ||
| 46854655 | 394 | 47 | None | -8 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1016/j.ejmech.2018.09.071 | ||
| 6485 | 394 | 47 | None | -8 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1016/j.ejmech.2018.09.071 | ||
| CHEMBL1829173 | 394 | 47 | None | -8 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1016/j.ejmech.2018.09.071 | ||
| 46854655 | 394 | 47 | None | -8 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1016/j.bmcl.2016.10.074 | ||
| 6485 | 394 | 47 | None | -8 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1016/j.bmcl.2016.10.074 | ||
| CHEMBL1829173 | 394 | 47 | None | -8 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1016/j.bmcl.2016.10.074 | ||
| 57706778 | 80768 | 29 | None | -8 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/ml4005123 | ||
| CHEMBL2152070 | 80768 | 29 | None | -8 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/ml4005123 | ||
| 24857285 | 75590 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 566 | 9 | 2 | 7 | 4.8 | Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047157 | 75590 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 566 | 9 | 2 | 7 | 4.8 | Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 131986027 | 163914 | 0 | None | 1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 606 | 11 | 1 | 7 | 7.4 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C(F)(F)F)c(-c4ccc(OCCOC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4207592 | 163914 | 0 | None | 1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 606 | 11 | 1 | 7 | 7.4 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C(F)(F)F)c(-c4ccc(OCCOC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 131986061 | 164092 | 0 | None | -6 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 518 | 7 | 1 | 5 | 7.0 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccccc4C(F)(F)F)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4209834 | 164092 | 0 | None | -6 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 518 | 7 | 1 | 5 | 7.0 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccccc4C(F)(F)F)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 67058307 | 122608 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 394 | 7 | 1 | 3 | 5.3 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3cc(C(F)(F)F)ccc32)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3603843 | 122608 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 394 | 7 | 1 | 3 | 5.3 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3cc(C(F)(F)F)ccc32)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 67058222 | 122660 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 368 | 8 | 1 | 3 | 5.1 | CCOC(CC(=O)O)c1ccc(OCc2ccc(F)c3ccccc23)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604052 | 122660 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 368 | 8 | 1 | 3 | 5.1 | CCOC(CC(=O)O)c1ccc(OCc2ccc(F)c3ccccc23)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 122185447 | 122665 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 386 | 8 | 1 | 3 | 5.0 | CCO[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(F)(F)F)cc2F)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604057 | 122665 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 386 | 8 | 1 | 3 | 5.0 | CCO[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(F)(F)F)cc2F)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 45107324 | 122671 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 366 | 8 | 1 | 3 | 5.2 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c(C4CC4)cccc32)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604063 | 122671 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 366 | 8 | 1 | 3 | 5.2 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c(C4CC4)cccc32)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 1050 | 1889 | 94 | None | -1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1016/j.bmcl.2014.04.065 | ||
| 11595431 | 1889 | 94 | None | -1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL207881 | 1889 | 94 | None | -1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1016/j.bmcl.2014.04.065 | ||
| 134138870 | 147647 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 491 | 9 | 2 | 5 | 5.2 | Cc1cc(OCCC(C)O)cc(C)c1-c1ccc(F)c(COc2cc3c(cn2)[C@@H]2C(C(=O)O)[C@@H]2C3)c1 | 10.1016/j.bmcl.2016.10.074 | ||
| CHEMBL3931755 | 147647 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 491 | 9 | 2 | 5 | 5.2 | Cc1cc(OCCC(C)O)cc(C)c1-c1ccc(F)c(COc2cc3c(cn2)[C@@H]2C(C(=O)O)[C@@H]2C3)c1 | 10.1016/j.bmcl.2016.10.074 | ||
| 57413290 | 75797 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 448 | 12 | 1 | 4 | 6.0 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048617 | 75797 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 448 | 12 | 1 | 4 | 6.0 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| 46854655 | 394 | 47 | None | 1 | 3 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1016/j.bmcl.2011.10.118 | ||
| 6485 | 394 | 47 | None | 1 | 3 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1016/j.bmcl.2011.10.118 | ||
| CHEMBL1829173 | 394 | 47 | None | 1 | 3 | Mouse | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1016/j.bmcl.2011.10.118 | ||
| 145947998 | 167692 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cn2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4171104 | 167692 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cn2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4302546 | 167692 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cn2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| 11245322 | 77113 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 359 | 7 | 2 | 3 | 5.3 | O=C(O)[C@H]1C[C@@H]1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL207753 | 77113 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 359 | 7 | 2 | 3 | 5.3 | O=C(O)[C@H]1C[C@@H]1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 71575419 | 89943 | 0 | None | 5 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 390 | 3 | 1 | 4 | 3.9 | O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1cccc(Br)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381282 | 89943 | 0 | None | 5 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 390 | 3 | 1 | 4 | 3.9 | O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1cccc(Br)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| 54584572 | 62140 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 455 | 6 | 1 | 5 | 4.8 | CC#C[C@@H](c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)[C@H]1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777878 | 62140 | 0 | None | -1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 455 | 6 | 1 | 5 | 4.8 | CC#C[C@@H](c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)[C@H]1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| 90644292 | 111932 | 0 | None | 10 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 362 | 7 | 1 | 4 | 4.4 | Cc1cccc(C)c1-c1cccc(COc2ncc(CCC(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288350 | 111932 | 0 | None | 10 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 362 | 7 | 1 | 4 | 4.4 | Cc1cccc(C)c1-c1cccc(COc2ncc(CCC(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 145983698 | 166396 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 382 | 7 | 1 | 5 | 3.5 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(OC)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4277181 | 166396 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 382 | 7 | 1 | 5 | 3.5 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(OC)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 67087160 | 182320 | 0 | None | -6 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 538 | 9 | 1 | 5 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(OC)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4784555 | 182320 | 0 | None | -6 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 538 | 9 | 1 | 5 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(OC)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 90644293 | 111933 | 0 | None | -13 | 2 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 375 | 7 | 1 | 3 | 5.3 | Cc1cc(OCc2cccc(-c3c(C)cccc3C)c2)ncc1CCC(=O)O | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288351 | 111933 | 0 | None | -13 | 2 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 375 | 7 | 1 | 3 | 5.3 | Cc1cc(OCc2cccc(-c3c(C)cccc3C)c2)ncc1CCC(=O)O | 10.1016/j.bmcl.2014.04.065 | ||
| 90644301 | 111941 | 0 | None | -9 | 2 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 405 | 9 | 1 | 4 | 5.5 | CCOC(CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cccc3C)c2)nc1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288359 | 111941 | 0 | None | -9 | 2 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 405 | 9 | 1 | 4 | 5.5 | CCOC(CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cccc3C)c2)nc1 | 10.1016/j.bmcl.2014.04.065 | ||
| 57706778 | 80768 | 29 | None | -8 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL2152070 | 80768 | 29 | None | -8 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 57706778 | 80768 | 29 | None | -8 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL2152070 | 80768 | 29 | None | -8 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 134157016 | 154413 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 547 | 11 | 1 | 5 | 6.2 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(OCc3cccc(F)c3)CCO4)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| CHEMBL3985181 | 154413 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 547 | 11 | 1 | 5 | 6.2 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(OCc3cccc(F)c3)CCO4)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| CHEMBL3990065 | 154413 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 547 | 11 | 1 | 5 | 6.2 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(OCc3cccc(F)c3)CCO4)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| 137655619 | 158674 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 340 | 6 | 1 | 4 | 4.0 | CN(C)c1cccc(Oc2ccc(N3CCC[C@H]3CC(=O)O)cc2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4093180 | 158674 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 340 | 6 | 1 | 4 | 4.0 | CN(C)c1cccc(Oc2ccc(N3CCC[C@H]3CC(=O)O)cc2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 87265393 | 159257 | 0 | None | -4 | 2 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 433 | 5 | 1 | 3 | 5.7 | O=C(O)C[C@@H]1C[C@H](C(F)(F)F)CN1c1ccc(Oc2ccccc2C(F)(F)F)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4099410 | 159257 | 0 | None | -4 | 2 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 433 | 5 | 1 | 3 | 5.7 | O=C(O)C[C@@H]1C[C@H](C(F)(F)F)CN1c1ccc(Oc2ccccc2C(F)(F)F)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 58218699 | 159392 | 0 | None | 2 | 2 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 373 | 6 | 1 | 3 | 5.6 | O=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2-c2ccccc2)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4100898 | 159392 | 0 | None | 2 | 2 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 373 | 6 | 1 | 3 | 5.6 | O=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2-c2ccccc2)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 137631654 | 156276 | 0 | None | - | 1 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 449 | 8 | 1 | 5 | 5.7 | O=C(O)CCc1ccc(-c2ccc3c(OCc4ccccc4)nn(-c4ccccn4)c3c2)cc1 | 10.1021/acs.jmedchem.7b00210 | ||
| CHEMBL4065429 | 156276 | 0 | None | - | 1 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 449 | 8 | 1 | 5 | 5.7 | O=C(O)CCc1ccc(-c2ccc3c(OCc4ccccc4)nn(-c4ccccn4)c3c2)cc1 | 10.1021/acs.jmedchem.7b00210 | ||
| 137641734 | 158018 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 365 | 6 | 1 | 3 | 4.6 | O=C(O)C[C@H]1CCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4085805 | 158018 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 365 | 6 | 1 | 3 | 4.6 | O=C(O)C[C@H]1CCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 142738556 | 162744 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 333 | 4 | 2 | 1 | 4.9 | O=C(O)CCc1ccc2[nH]c(-c3ccccc3C(F)(F)F)cc2c1 | 10.1021/acsmedchemlett.7b00460 | ||
| CHEMBL4171817 | 162744 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 333 | 4 | 2 | 1 | 4.9 | O=C(O)CCc1ccc2[nH]c(-c3ccccc3C(F)(F)F)cc2c1 | 10.1021/acsmedchemlett.7b00460 | ||
| 71458348 | 80644 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 504 | 9 | 1 | 3 | 8.1 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CCCC4)c3)cc2C(C)(C)C)c1 | 10.1021/ml300133f | ||
| CHEMBL2151300 | 80644 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 504 | 9 | 1 | 3 | 8.1 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CCCC4)c3)cc2C(C)(C)C)c1 | 10.1021/ml300133f | ||
| 75511315 | 122486 | 4 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 358 | 7 | 1 | 5 | 4.0 | O=C(O)CCc1ccc(OCc2nc(-c3ccccc3)no2)c(Cl)c1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3601058 | 122486 | 4 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 358 | 7 | 1 | 5 | 4.0 | O=C(O)CCc1ccc(OCc2nc(-c3ccccc3)no2)c(Cl)c1 | 10.1016/j.bmcl.2015.06.018 | ||
| 137647721 | 157806 | 0 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 370 | 7 | 1 | 3 | 5.5 | CC(CC(=O)O)c1ccc(OCc2ccccc2SC(F)(F)F)cc1 | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4083440 | 157806 | 0 | None | -1 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 370 | 7 | 1 | 3 | 5.5 | CC(CC(=O)O)c1ccc(OCc2ccccc2SC(F)(F)F)cc1 | 10.1016/j.bmcl.2017.01.034 | ||
| 44634022 | 65294 | 1 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 251 | 3 | 1 | 2 | 2.5 | O=C(O)CCc1ccc(C#Cc2ccccn2)cc1 | 10.1021/jm2005699 | ||
| CHEMBL1829143 | 65294 | 1 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 251 | 3 | 1 | 2 | 2.5 | O=C(O)CCc1ccc(C#Cc2ccccn2)cc1 | 10.1021/jm2005699 | ||
| 71615671 | 89976 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 416 | 4 | 1 | 4 | 5.4 | Cc1cc(C)cc(-c2cccc(C3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381316 | 89976 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 416 | 4 | 1 | 4 | 5.4 | Cc1cc(C)cc(-c2cccc(C3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| 122189737 | 123366 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 361 | 7 | 2 | 4 | 3.3 | Cc1ccc(OC(C)C(=O)Nc2ccc(OCC(=O)O)c(F)c2)cc1C | 10.1016/j.bmc.2015.09.010 | ||
| CHEMBL3616719 | 123366 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 361 | 7 | 2 | 4 | 3.3 | Cc1ccc(OC(C)C(=O)Nc2ccc(OCC(=O)O)c(F)c2)cc1C | 10.1016/j.bmc.2015.09.010 | ||
| 145956160 | 162472 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 522 | 8 | 1 | 5 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4167397 | 162472 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 522 | 8 | 1 | 5 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 145972020 | 163101 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 457 | 8 | 2 | 4 | 5.2 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)NC3CCCc4ccccc43)o2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4177506 | 163101 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 457 | 8 | 2 | 4 | 5.2 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)NC3CCCc4ccccc43)o2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 118637974 | 162014 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 398 | 6 | 1 | 2 | 6.4 | O=C(O)C[C@H](c1ccc2c(c1)OC(c1ccc(-c3ccccc3)cc1)CC2)C1CC1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4160127 | 162014 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 398 | 6 | 1 | 2 | 6.4 | O=C(O)C[C@H](c1ccc2c(c1)OC(c1ccc(-c3ccccc3)cc1)CC2)C1CC1 | 10.1021/acsmedchemlett.8b00149 | ||
| 131986164 | 164595 | 0 | None | 1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 478 | 7 | 1 | 5 | 6.6 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(C)c3scc(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4216016 | 164595 | 0 | None | 1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 478 | 7 | 1 | 5 | 6.6 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(C)c3scc(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 51049992 | 145594 | 5 | None | -23 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL3915620 | 145594 | 5 | None | -23 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 54757738 | 65318 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 299 | 3 | 1 | 2 | 3.5 | Cc1c(C#Cc2ccc(CCC(=O)O)cc2)ccnc1Cl | 10.1021/jm2005699 | ||
| CHEMBL1829166 | 65318 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 299 | 3 | 1 | 2 | 3.5 | Cc1c(C#Cc2ccc(CCC(=O)O)cc2)ccnc1Cl | 10.1021/jm2005699 | ||
| 23136411 | 58802 | 0 | None | 11 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 332 | 7 | 1 | 2 | 5.0 | O=C(O)CCc1ccc(OCc2cccc(-c3ccccc3)c2)cc1 | 10.1021/ml100106c | ||
| CHEMBL1688457 | 58802 | 0 | None | 11 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 332 | 7 | 1 | 2 | 5.0 | O=C(O)CCc1ccc(OCc2cccc(-c3ccccc3)c2)cc1 | 10.1021/ml100106c | ||
| 90151518 | 156890 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 489 | 6 | 1 | 5 | 5.6 | Cc1cccc(C)c1N1CCC(Oc2ccc(N3N=C(C(F)(F)F)[C@@H](C)[C@@H]3CC(=O)O)cc2)CC1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4072314 | 156890 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 489 | 6 | 1 | 5 | 5.6 | Cc1cccc(C)c1N1CCC(Oc2ccc(N3N=C(C(F)(F)F)[C@@H](C)[C@@H]3CC(=O)O)cc2)CC1 | 10.1021/acs.jmedchem.7b00982 | ||
| 46231598 | 202176 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 349 | 4 | 1 | 4 | 4.5 | O=C1NC(=O)C(Cc2ccc(Oc3cccc4ccccc34)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL609615 | 202176 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 349 | 4 | 1 | 4 | 4.5 | O=C1NC(=O)C(Cc2ccc(Oc3cccc4ccccc34)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 122189672 | 123327 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 333 | 7 | 2 | 4 | 2.7 | CC(Oc1ccccc1)C(=O)Nc1ccc(OCC(=O)O)c(F)c1 | 10.1016/j.bmc.2015.09.010 | ||
| CHEMBL3616652 | 123327 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 333 | 7 | 2 | 4 | 2.7 | CC(Oc1ccccc1)C(=O)Nc1ccc(OCC(=O)O)c(F)c1 | 10.1016/j.bmc.2015.09.010 | ||
| 122189676 | 123328 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 351 | 7 | 2 | 4 | 2.8 | CC(Oc1ccccc1F)C(=O)Nc1ccc(OCC(=O)O)c(F)c1 | 10.1016/j.bmc.2015.09.010 | ||
| CHEMBL3616656 | 123328 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 351 | 7 | 2 | 4 | 2.8 | CC(Oc1ccccc1F)C(=O)Nc1ccc(OCC(=O)O)c(F)c1 | 10.1016/j.bmc.2015.09.010 | ||
| 134149615 | 148552 | 0 | None | -23 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 370 | 5 | 1 | 3 | 4.6 | O=C(O)CCC1Cc2cc(-c3cc(OC(F)(F)F)ccc3F)ccc2O1 | 10.1016/j.bmcl.2016.10.054 | ||
| CHEMBL3939004 | 148552 | 0 | None | -23 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 370 | 5 | 1 | 3 | 4.6 | O=C(O)CCC1Cc2cc(-c3cc(OC(F)(F)F)ccc3F)ccc2O1 | 10.1016/j.bmcl.2016.10.054 | ||
| 145973937 | 164562 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 487 | 10 | 2 | 6 | 5.2 | COc1ccc(C(Cc2nnc(C(=O)Nc3ccc(CCC(=O)O)cc3)s2)c2ccccc2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| CHEMBL4215600 | 164562 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 487 | 10 | 2 | 6 | 5.2 | COc1ccc(C(Cc2nnc(C(=O)Nc3ccc(CCC(=O)O)cc3)s2)c2ccccc2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| 145980455 | 166688 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 365 | 6 | 2 | 4 | 3.7 | O=C(O)CCc1ccc(NCC2COc3ccc(Cl)cc3O2)cc1F | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4282779 | 166688 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 365 | 6 | 2 | 4 | 3.7 | O=C(O)CCc1ccc(NCC2COc3ccc(Cl)cc3O2)cc1F | 10.1016/j.bmc.2018.10.019 | ||
| 20993091 | 62118 | 11 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 310 | 5 | 1 | 2 | 4.8 | O=C(O)CCc1ccc(Oc2ccc(Cl)cc2Cl)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777856 | 62118 | 11 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 310 | 5 | 1 | 2 | 4.8 | O=C(O)CCc1ccc(Oc2ccc(Cl)cc2Cl)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 54584572 | 62140 | 0 | None | 1 | 2 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 455 | 6 | 1 | 5 | 4.8 | CC#C[C@@H](c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)[C@H]1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777878 | 62140 | 0 | None | 1 | 2 | Mouse | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 455 | 6 | 1 | 5 | 4.8 | CC#C[C@@H](c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)[C@H]1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| 134149615 | 148552 | 0 | None | -23 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 370 | 5 | 1 | 3 | 4.6 | O=C(O)CCC1Cc2cc(-c3cc(OC(F)(F)F)ccc3F)ccc2O1 | 10.1016/j.bmcl.2016.10.054 | ||
| CHEMBL3939004 | 148552 | 0 | None | -23 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 370 | 5 | 1 | 3 | 4.6 | O=C(O)CCC1Cc2cc(-c3cc(OC(F)(F)F)ccc3F)ccc2O1 | 10.1016/j.bmcl.2016.10.054 | ||
| 127033820 | 138753 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 415 | 6 | 1 | 5 | 5.3 | Cc1nc(-c2cccc(Cl)c2)sc1COc1ccc2c(c1)OCC2CC(=O)O | 10.1016/j.ejmech.2016.02.040 | ||
| CHEMBL3780713 | 138753 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 415 | 6 | 1 | 5 | 5.3 | Cc1nc(-c2cccc(Cl)c2)sc1COc1ccc2c(c1)OCC2CC(=O)O | 10.1016/j.ejmech.2016.02.040 | ||
| 118637996 | 142145 | 0 | None | -15 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL3883819 | 142145 | 0 | None | -15 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4162778 | 142145 | 0 | None | -15 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| 145949955 | 162886 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 489 | 8 | 1 | 6 | 4.3 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4173953 | 162886 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 489 | 8 | 1 | 6 | 4.3 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 71562317 | 86510 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 276 | 2 | 1 | 1 | 3.6 | Cc1ccccc1C#Cc1ccc([C@H]2C[C@@H]2C(=O)O)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315538 | 86510 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 276 | 2 | 1 | 1 | 3.6 | Cc1ccccc1C#Cc1ccc([C@H]2C[C@@H]2C(=O)O)cc1 | 10.1021/jm301470a | ||
| 71562423 | 86515 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 298 | 3 | 1 | 1 | 4.1 | Cc1cc(Cl)ccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315543 | 86515 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 298 | 3 | 1 | 1 | 4.1 | Cc1cc(Cl)ccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm301470a | ||
| 145972304 | 164520 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 423 | 8 | 2 | 6 | 3.9 | O=C(O)CCc1ccc(NC(=O)c2nnc(COc3ccc4c(c3)CCC4)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| CHEMBL4215103 | 164520 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 423 | 8 | 2 | 6 | 3.9 | O=C(O)CCc1ccc(NC(=O)c2nnc(COc3ccc4c(c3)CCC4)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| 118637996 | 142145 | 0 | None | -15 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883819 | 142145 | 0 | None | -15 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL4162778 | 142145 | 0 | None | -15 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 46231843 | 200482 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 432 | 5 | 1 | 6 | 4.4 | COc1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1CC1SC(=O)NC1=O | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL598732 | 200482 | 0 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 432 | 5 | 1 | 6 | 4.4 | COc1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1CC1SC(=O)NC1=O | 10.1016/j.bmcl.2009.10.052 | ||
| 134130352 | 142120 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 540 | 8 | 1 | 3 | 8.7 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C2=CCCC2(C)C)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883532 | 142120 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 540 | 8 | 1 | 3 | 8.7 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C2=CCCC2(C)C)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 134143899 | 150215 | 0 | None | -4 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 350 | 5 | 1 | 3 | 5.0 | O=C(O)CCc1cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2o1 | 10.1016/j.bmcl.2016.10.054 | ||
| CHEMBL3952316 | 150215 | 0 | None | -4 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 350 | 5 | 1 | 3 | 5.0 | O=C(O)CCc1cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2o1 | 10.1016/j.bmcl.2016.10.054 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2018.09.071 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2018.09.071 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2018.09.071 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2018.09.071 | ||
| 146948845 | 185856 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 522 | 11 | 1 | 5 | 5.5 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(CCc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/acs.jmedchem.1c00031 | ||
| CHEMBL4868224 | 185856 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 522 | 11 | 1 | 5 | 5.5 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(CCc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/acs.jmedchem.1c00031 | ||
| 57414539 | 75591 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | CCS(=O)(=O)CCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c1 | 10.1021/jm300170m | ||
| CHEMBL2047158 | 75591 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | CCS(=O)(=O)CCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c1 | 10.1021/jm300170m | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acsmedchemlett.7b00460 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acsmedchemlett.7b00460 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acsmedchemlett.7b00460 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acsmedchemlett.7b00460 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/ml1000855 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/ml1000855 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/ml1000855 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/ml1000855 | ||
| 90644301 | 111941 | 0 | None | 9 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 405 | 9 | 1 | 4 | 5.5 | CCOC(CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cccc3C)c2)nc1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288359 | 111941 | 0 | None | 9 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 405 | 9 | 1 | 4 | 5.5 | CCOC(CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cccc3C)c2)nc1 | 10.1016/j.bmcl.2014.04.065 | ||
| 11190525 | 75796 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 466 | 10 | 1 | 3 | 7.1 | Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048616 | 75796 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 466 | 10 | 1 | 3 | 7.1 | Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm2016123 | ||
| 162667620 | 182533 | 0 | None | -3 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4787628 | 182533 | 0 | None | -3 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| 162644059 | 181800 | 0 | None | 45 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 440 | 8 | 1 | 7 | 4.6 | O=C(O)C[C@@H](c1ccc(OCc2ccc3nc(-c4ccccc4)nn3c2)cc1)c1ccon1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4778264 | 181800 | 0 | None | 45 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 440 | 8 | 1 | 7 | 4.6 | O=C(O)C[C@@H](c1ccc(OCc2ccc3nc(-c4ccccc4)nn3c2)cc1)c1ccon1 | 10.1021/acs.jmedchem.6b00892 | ||
| 67087100 | 182574 | 0 | None | -11 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 576 | 8 | 1 | 4 | 6.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C(F)(F)F)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4788206 | 182574 | 0 | None | -11 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 576 | 8 | 1 | 4 | 6.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C(F)(F)F)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 145952952 | 162467 | 0 | None | 1 | 3 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 467 | 8 | 2 | 3 | 5.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4167323 | 162467 | 0 | None | 1 | 3 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 467 | 8 | 2 | 3 | 5.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 131986027 | 163914 | 0 | None | -1 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 606 | 11 | 1 | 7 | 7.4 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C(F)(F)F)c(-c4ccc(OCCOC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4207592 | 163914 | 0 | None | -1 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 606 | 11 | 1 | 7 | 7.4 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C(F)(F)F)c(-c4ccc(OCCOC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 131986112 | 164393 | 0 | None | 3 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 538 | 11 | 1 | 7 | 6.3 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4cccc(OCCOC)c4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4213548 | 164393 | 0 | None | 3 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 538 | 11 | 1 | 7 | 6.3 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4cccc(OCCOC)c4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 131986072 | 164428 | 0 | None | 1 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 482 | 7 | 1 | 5 | 6.5 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(F)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4213937 | 164428 | 0 | None | 1 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 482 | 7 | 1 | 5 | 6.5 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(F)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 134131511 | 142133 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 546 | 9 | 1 | 4 | 8.3 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2[C@H](OC)C(C)(C)C)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883627 | 142133 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 546 | 9 | 1 | 4 | 8.3 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2[C@H](OC)C(C)(C)C)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm2005699 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm2005699 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm2005699 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm2005699 | ||
| 44409843 | 140380 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 473 | 7 | 2 | 4 | 6.4 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL380884 | 140380 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 473 | 7 | 2 | 4 | 6.4 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 51350138 | 58819 | 0 | None | 660 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL1688473 | 58819 | 0 | None | 660 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| 46941175 | 61782 | 26 | None | -1 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 345 | 7 | 2 | 2 | 5.3 | Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/ml100106c | ||
| CHEMBL1773261 | 61782 | 26 | None | -1 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 345 | 7 | 2 | 2 | 5.3 | Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/ml100106c | ||
| 60195037 | 81693 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 495 | 12 | 2 | 5 | 5.4 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm3002026 | ||
| CHEMBL2163925 | 81693 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 495 | 12 | 2 | 5 | 5.4 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm3002026 | ||
| 44409676 | 74974 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 374 | 7 | 3 | 4 | 4.7 | O=C(NO)[C@H]1C[C@@H]1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL203297 | 74974 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 374 | 7 | 3 | 4 | 4.7 | O=C(NO)[C@H]1C[C@@H]1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 57705749 | 164828 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 516 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2CCCC2(C)C)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| CHEMBL4218995 | 164828 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 516 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2CCCC2(C)C)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| 121294749 | 182717 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 542 | 11 | 1 | 5 | 6.2 | COc1ccc(C(=O)N(C)c2ccccc2)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4789994 | 182717 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 542 | 11 | 1 | 5 | 6.2 | COc1ccc(C(=O)N(C)c2ccccc2)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 58218607 | 155916 | 0 | None | 7 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 323 | 5 | 1 | 2 | 4.3 | Cc1ccccc1Cc1ccc(N2C[C@@H](C)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4061093 | 155916 | 0 | None | 7 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 323 | 5 | 1 | 2 | 4.3 | Cc1ccccc1Cc1ccc(N2C[C@@H](C)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 57325842 | 74077 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 474 | 10 | 1 | 4 | 6.2 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)CCC(C(=O)O)C4)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022580 | 74077 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 474 | 10 | 1 | 4 | 6.2 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)CCC(C(=O)O)C4)c2)c(C)c1 | 10.1021/jm2012968 | ||
| 58230598 | 183095 | 0 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 487 | 8 | 1 | 3 | 6.5 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1Cl | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4794904 | 183095 | 0 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 487 | 8 | 1 | 3 | 6.5 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1Cl | 10.1021/acs.jmedchem.6b00892 | ||
| 122189683 | 123333 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 389 | 7 | 2 | 4 | 4.0 | CC(Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc(OCC(=O)O)c(F)c1 | 10.1016/j.bmc.2015.09.010 | ||
| CHEMBL3616663 | 123333 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 389 | 7 | 2 | 4 | 4.0 | CC(Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc(OCC(=O)O)c(F)c1 | 10.1016/j.bmc.2015.09.010 | ||
| 137649555 | 157306 | 0 | None | -2 | 2 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 357 | 5 | 1 | 4 | 4.4 | Cc1nn(-c2ccccn2)c2cc(-c3ccc(CCC(=O)O)cc3)ccc12 | 10.1021/acs.jmedchem.7b00210 | ||
| CHEMBL4077507 | 157306 | 0 | None | -2 | 2 | Mouse | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 357 | 5 | 1 | 4 | 4.4 | Cc1nn(-c2ccccn2)c2cc(-c3ccc(CCC(=O)O)cc3)ccc12 | 10.1021/acs.jmedchem.7b00210 | ||
| 90644292 | 111932 | 0 | None | -10 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 362 | 7 | 1 | 4 | 4.4 | Cc1cccc(C)c1-c1cccc(COc2ncc(CCC(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288350 | 111932 | 0 | None | -10 | 2 | Rat | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 362 | 7 | 1 | 4 | 4.4 | Cc1cccc(C)c1-c1cccc(COc2ncc(CCC(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 137658391 | 159624 | 0 | None | -1 | 2 | Mouse | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 393 | 6 | 1 | 3 | 5.3 | Cc1cc(OCc2ccc(Cl)cc2Cl)ccc1N1CCC[C@H]1CC(=O)O | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4103681 | 159624 | 0 | None | -1 | 2 | Mouse | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 393 | 6 | 1 | 3 | 5.3 | Cc1cc(OCc2ccc(Cl)cc2Cl)ccc1N1CCC[C@H]1CC(=O)O | 10.1021/acs.jmedchem.6b01559 | ||
| 54586485 | 62127 | 0 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 398 | 5 | 1 | 2 | 6.2 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)c3ccccc23)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777865 | 62127 | 0 | None | 2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 398 | 5 | 1 | 2 | 6.2 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)c3ccccc23)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 46231842 | 200481 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 397 | 5 | 1 | 5 | 4.7 | COc1cc(Oc2ccc(Cl)cc2Cl)ccc1CC1SC(=O)NC1=O | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL598731 | 200481 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 397 | 5 | 1 | 5 | 4.7 | COc1cc(Oc2ccc(Cl)cc2Cl)ccc1CC1SC(=O)NC1=O | 10.1016/j.bmcl.2009.10.052 | ||
| 66562389 | 90338 | 0 | None | 58 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 286 | 3 | 1 | 1 | 3.4 | O=C(O)CCc1c(F)cc(C#Cc2ccccc2)cc1F | 10.1021/ml4000673 | ||
| CHEMBL2386360 | 90338 | 0 | None | 58 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 286 | 3 | 1 | 1 | 3.4 | O=C(O)CCc1c(F)cc(C#Cc2ccccc2)cc1F | 10.1021/ml4000673 | ||
| 145965968 | 164222 | 0 | None | -4 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 480 | 7 | 1 | 5 | 6.0 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3c(c2)c(-c2ccccc2C)c[s+]3[O-])cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4211335 | 164222 | 0 | None | -4 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 480 | 7 | 1 | 5 | 6.0 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3c(c2)c(-c2ccccc2C)c[s+]3[O-])cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 137656526 | 159729 | 0 | None | -2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 356 | 7 | 1 | 3 | 4.9 | O=C(O)CCc1ccc(OCc2ccccc2SC(F)(F)F)cc1 | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4105013 | 159729 | 0 | None | -2 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 356 | 7 | 1 | 3 | 4.9 | O=C(O)CCc1ccc(OCc2ccccc2SC(F)(F)F)cc1 | 10.1016/j.bmcl.2017.01.034 | ||
| 127046662 | 140015 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 441 | 10 | 1 | 5 | 5.7 | Cc1noc(C)c1-c1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(OCC(C)C)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3800255 | 140015 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 441 | 10 | 1 | 5 | 5.7 | Cc1noc(C)c1-c1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(OCC(C)C)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| 46231779 | 200855 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 350 | 4 | 1 | 5 | 3.9 | O=C1NC(=O)C(Cc2ccc(Oc3cc4ccccc4cn3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL601420 | 200855 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 350 | 4 | 1 | 5 | 3.9 | O=C1NC(=O)C(Cc2ccc(Oc3cc4ccccc4cn3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 145962064 | 162213 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 474 | 8 | 2 | 5 | 5.1 | CC#CC(CC(=O)O)c1ccc(OCc2cnc(C(=O)NC3CCCc4ccccc43)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4163436 | 162213 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 474 | 8 | 2 | 5 | 5.1 | CC#CC(CC(=O)O)c1ccc(OCc2cnc(C(=O)NC3CCCc4ccccc43)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 71562316 | 86509 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 262 | 2 | 1 | 1 | 3.3 | O=C(O)[C@H]1C[C@@H]1c1ccc(C#Cc2ccccc2)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315537 | 86509 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 262 | 2 | 1 | 1 | 3.3 | O=C(O)[C@H]1C[C@@H]1c1ccc(C#Cc2ccccc2)cc1 | 10.1021/jm301470a | ||
| 66562390 | 90336 | 0 | None | 39 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 268 | 3 | 1 | 1 | 3.2 | O=C(O)CCc1ccc(C#Cc2ccccc2)c(F)c1 | 10.1021/ml4000673 | ||
| CHEMBL2386358 | 90336 | 0 | None | 39 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 268 | 3 | 1 | 1 | 3.2 | O=C(O)CCc1ccc(C#Cc2ccccc2)c(F)c1 | 10.1021/ml4000673 | ||
| 44409929 | 76396 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 345 | 7 | 2 | 3 | 5.2 | O=C(O)/C=C/c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL205960 | 76396 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 345 | 7 | 2 | 3 | 5.2 | O=C(O)/C=C/c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 127033352 | 138995 | 0 | None | 2 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 272 | 8 | 1 | 1 | 4.4 | CCCCCCCC#Cc1ccc(CCC(=O)O)cc1 | 10.1021/acs.jmedchem.5b01962 | ||
| CHEMBL3785789 | 138995 | 0 | None | 2 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 272 | 8 | 1 | 1 | 4.4 | CCCCCCCC#Cc1ccc(CCC(=O)O)cc1 | 10.1021/acs.jmedchem.5b01962 | ||
| 66562387 | 90344 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 360 | 5 | 1 | 3 | 2.8 | CS(=O)(=O)Cc1ccccc1C#Cc1ccc(CCC(=O)O)c(F)c1 | 10.1021/ml4000673 | ||
| CHEMBL2386366 | 90344 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 360 | 5 | 1 | 3 | 2.8 | CS(=O)(=O)Cc1ccccc1C#Cc1ccc(CCC(=O)O)c(F)c1 | 10.1021/ml4000673 | ||
| 71613096 | 89960 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 558 | 9 | 1 | 7 | 5.3 | CS(=O)(=O)CCCOc1ccc(-c2cccc([C@H]3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c(Cl)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381300 | 89960 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 558 | 9 | 1 | 7 | 5.3 | CS(=O)(=O)CCCOc1ccc(-c2cccc([C@H]3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c(Cl)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| 168278906 | 191007 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 438 | 10 | 1 | 4 | 5.9 | Cc1ccc(OCC(C)C)cc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL5186963 | 191007 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 438 | 10 | 1 | 4 | 5.9 | Cc1ccc(OCC(C)C)cc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| 2214962 | 94631 | 8 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 283 | 7 | 2 | 3 | 3.6 | C=CCOc1ccc(CNc2cccc(C(=O)O)c2)cc1 | 10.1021/jm7012425 | ||
| CHEMBL252528 | 94631 | 8 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 283 | 7 | 2 | 3 | 3.6 | C=CCOc1ccc(CNc2cccc(C(=O)O)c2)cc1 | 10.1021/jm7012425 | ||
| 91824140 | 151052 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 425 | 7 | 1 | 5 | 4.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cc(-c3ccccc3C)cn3ncnc23)cc1 | 10.1016/j.bmcl.2016.10.074 | ||
| CHEMBL3958983 | 151052 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 425 | 7 | 1 | 5 | 4.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cc(-c3ccccc3C)cn3ncnc23)cc1 | 10.1016/j.bmcl.2016.10.074 | ||
| 118623101 | 167565 | 0 | None | -12 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4159416 | 167565 | 0 | None | -12 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4300796 | 167565 | 0 | None | -12 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| 90357232 | 142227 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc([C@@H]3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3884803 | 142227 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc([C@@H]3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 122185446 | 122664 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 368 | 8 | 1 | 3 | 5.1 | CCOC(CC(=O)O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604056 | 122664 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 368 | 8 | 1 | 3 | 5.1 | CCOC(CC(=O)O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmc.2015.07.028 | ||
| 122189685 | 123303 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 349 | 8 | 2 | 5 | 2.3 | COc1cccc(OCC(=O)Nc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2015.09.010 | ||
| CHEMBL3616479 | 123303 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 349 | 8 | 2 | 5 | 2.3 | COc1cccc(OCC(=O)Nc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2015.09.010 | ||
| 6483 | 3855 | 54 | None | -13 | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/ml4000673 | ||
| 66553168 | 3855 | 54 | None | -13 | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/ml4000673 | ||
| CHEMBL2386353 | 3855 | 54 | None | -13 | 4 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/ml4000673 | ||
| 145987974 | 167054 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 362 | 7 | 1 | 5 | 3.1 | COc1ccc2c(c1)OC(COc1ccc(CCC(=O)O)c(F)c1)CO2 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4289597 | 167054 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 362 | 7 | 1 | 5 | 3.1 | COc1ccc2c(c1)OC(COc1ccc(CCC(=O)O)c(F)c1)CO2 | 10.1016/j.bmc.2018.10.019 | ||
| 137655393 | 158710 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 351 | 7 | 1 | 5 | 3.6 | Cc1cccc(C)c1-c1cccc(OCc2cn(CCC(=O)O)nn2)c1 | 10.1021/acs.jmedchem.6b01357 | ||
| CHEMBL4093521 | 158710 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 351 | 7 | 1 | 5 | 3.6 | Cc1cccc(C)c1-c1cccc(OCc2cn(CCC(=O)O)nn2)c1 | 10.1021/acs.jmedchem.6b01357 | ||
| 137529979 | 164151 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 473 | 6 | 3 | 4 | 5.2 | CNC(=O)c1cc(C)c(-c2ccc(F)c3c2CC[C@H]3Nc2ccc([C@H]3C[C@@H]3C(=O)O)nc2)c(C)c1 | 10.1021/acsmedchemlett.8b00343 | ||
| CHEMBL4210588 | 164151 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 473 | 6 | 3 | 4 | 5.2 | CNC(=O)c1cc(C)c(-c2ccc(F)c3c2CC[C@H]3Nc2ccc([C@H]3C[C@@H]3C(=O)O)nc2)c(C)c1 | 10.1021/acsmedchemlett.8b00343 | ||
| 122189678 | 123330 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 333 | 7 | 2 | 4 | 2.6 | Cc1ccc(OCC(=O)Nc2ccc(OCC(=O)O)c(F)c2)cc1 | 10.1016/j.bmc.2015.09.010 | ||
| CHEMBL3616658 | 123330 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 333 | 7 | 2 | 4 | 2.6 | Cc1ccc(OCC(=O)Nc2ccc(OCC(=O)O)c(F)c2)cc1 | 10.1016/j.bmc.2015.09.010 | ||
| 137629795 | 161159 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 545 | 12 | 1 | 7 | 5.3 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3cnccn3)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4063221 | 161159 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 545 | 12 | 1 | 7 | 5.3 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3cnccn3)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4117645 | 161159 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 545 | 12 | 1 | 7 | 5.3 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3cnccn3)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| 137633561 | 156327 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 351 | 7 | 1 | 5 | 3.6 | Cc1cccc(C)c1-c1cccc(COc2cn(CCC(=O)O)nn2)c1 | 10.1021/acs.jmedchem.6b01357 | ||
| CHEMBL4065921 | 156327 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 351 | 7 | 1 | 5 | 3.6 | Cc1cccc(C)c1-c1cccc(COc2cn(CCC(=O)O)nn2)c1 | 10.1021/acs.jmedchem.6b01357 | ||
| 54582631 | 62129 | 0 | None | -1 | 2 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 360 | 5 | 1 | 4 | 3.6 | CC#CC(CC(=O)O)c1ccc(Oc2ncc(Br)cn2)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777867 | 62129 | 0 | None | -1 | 2 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 360 | 5 | 1 | 4 | 3.6 | CC#CC(CC(=O)O)c1ccc(Oc2ncc(Br)cn2)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 54581633 | 62131 | 0 | None | 2 | 2 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 331 | 5 | 1 | 3 | 4.6 | CC#CC(CC(=O)O)c1ccc(Oc2nccc3ccccc23)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777869 | 62131 | 0 | None | 2 | 2 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 331 | 5 | 1 | 3 | 4.6 | CC#CC(CC(=O)O)c1ccc(Oc2nccc3ccccc23)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 131986072 | 164428 | 0 | None | -1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 482 | 7 | 1 | 5 | 6.5 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(F)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4213937 | 164428 | 0 | None | -1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 482 | 7 | 1 | 5 | 6.5 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(F)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 131986179 | 164773 | 0 | None | -1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 532 | 7 | 1 | 5 | 7.3 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C(F)(F)F)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4218348 | 164773 | 0 | None | -1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 532 | 7 | 1 | 5 | 7.3 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C(F)(F)F)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 57413289 | 75795 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 430 | 10 | 1 | 3 | 6.4 | Cc1cc(OCC2CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048615 | 75795 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 430 | 10 | 1 | 3 | 6.4 | Cc1cc(OCC2CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm2016123 | ||
| 11398822 | 75803 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 556 | 10 | 2 | 6 | 5.0 | Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048624 | 75803 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 556 | 10 | 2 | 6 | 5.0 | Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| 46854655 | 394 | 47 | None | -8 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00892 | ||
| 6485 | 394 | 47 | None | -8 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL1829173 | 394 | 47 | None | -8 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00892 | ||
| 118145140 | 175361 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 461 | 8 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2cc3c(cn2)[C@H](Oc2cccc([C@H](C4CC4)[C@H](C)C(=O)O)c2)CC3)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4575265 | 175361 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 461 | 8 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2cc3c(cn2)[C@H](Oc2cccc([C@H](C4CC4)[C@H](C)C(=O)O)c2)CC3)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 145967748 | 163487 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 496 | 12 | 1 | 5 | 5.4 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4202452 | 163487 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 496 | 12 | 1 | 5 | 5.4 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| 118645526 | 182956 | 0 | None | -3 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 517 | 10 | 1 | 6 | 5.8 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2N2CC3(CCC3)C2)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4793322 | 182956 | 0 | None | -3 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 517 | 10 | 1 | 6 | 5.8 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2N2CC3(CCC3)C2)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| 155569585 | 176185 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 419 | 7 | 2 | 3 | 5.6 | O=C(O)COc1ccc(NCc2cccc(-c3ccccc3C(F)(F)F)c2)cc1F | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL4593950 | 176185 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 419 | 7 | 2 | 3 | 5.6 | O=C(O)COc1ccc(NCc2cccc(-c3ccccc3C(F)(F)F)c2)cc1F | 10.1016/j.ejmech.2019.06.087 | ||
| 127047527 | 139847 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 403 | 7 | 1 | 4 | 5.3 | Cc1noc(C)c1-c1cc(COc2ccc(CCC(=O)O)c(F)c2)ccc1Cl | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3799274 | 139847 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 403 | 7 | 1 | 4 | 5.3 | Cc1noc(C)c1-c1cc(COc2ccc(CCC(=O)O)c(F)c2)ccc1Cl | 10.1016/j.ejmech.2016.03.054 | ||
| 155527415 | 171200 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 453 | 7 | 1 | 5 | 5.0 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4ccc(C#N)cc4)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| CHEMBL4459626 | 171200 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 453 | 7 | 1 | 5 | 5.0 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4ccc(C#N)cc4)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| 57706778 | 80768 | 29 | None | -8 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL2152070 | 80768 | 29 | None | -8 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 162674275 | 182967 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 491 | 10 | 1 | 4 | 7.0 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2CC(C)(C)C)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4793427 | 182967 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 491 | 10 | 1 | 4 | 7.0 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2CC(C)(C)C)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 58218740 | 156421 | 0 | None | 45 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 315 | 5 | 1 | 3 | 4.1 | O=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2F)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4067052 | 156421 | 0 | None | 45 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 315 | 5 | 1 | 3 | 4.1 | O=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2F)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 137646482 | 157727 | 0 | None | -2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4082459 | 157727 | 0 | None | -2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 58218551 | 159023 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 309 | 5 | 1 | 2 | 4.0 | Cc1ccccc1Cc1ccc(N2CCC[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4096887 | 159023 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 309 | 5 | 1 | 2 | 4.0 | Cc1ccccc1Cc1ccc(N2CCC[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 137633394 | 156400 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 541 | 8 | 1 | 6 | 5.4 | CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](F)C2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4066815 | 156400 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 541 | 8 | 1 | 6 | 5.4 | CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](F)C2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| 90151501 | 158731 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 510 | 7 | 1 | 7 | 4.5 | COc1cc(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c(F)cn1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4093944 | 158731 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 510 | 7 | 1 | 7 | 4.5 | COc1cc(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c(F)cn1 | 10.1021/acs.jmedchem.7b00982 | ||
| 145980470 | 166712 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 420 | 6 | 1 | 4 | 4.8 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3cc(Cl)c(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4283222 | 166712 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 420 | 6 | 1 | 4 | 4.8 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3cc(Cl)c(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 156703595 | 191889 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 438 | 10 | 1 | 5 | 5.1 | COc1ccc(/C=C/c2cc(OC)cc(OCc3ccc(OCC(=O)O)c(F)c3)c2)cc1 | 10.1016/j.ejmech.2021.114061 | ||
| CHEMBL5200141 | 191889 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 438 | 10 | 1 | 5 | 5.1 | COc1ccc(/C=C/c2cc(OC)cc(OCc3ccc(OCC(=O)O)c(F)c3)c2)cc1 | 10.1016/j.ejmech.2021.114061 | ||
| 58172971 | 122642 | 2 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 382 | 8 | 1 | 3 | 5.4 | CCOC(CC(=O)O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(C)c1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604035 | 122642 | 2 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 382 | 8 | 1 | 3 | 5.4 | CCOC(CC(=O)O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(C)c1 | 10.1016/j.bmc.2015.07.028 | ||
| 67085761 | 157001 | 0 | None | -12 | 2 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 485 | 8 | 1 | 4 | 6.6 | Cc1cc(OCc2ccccc2)ccc1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4073525 | 157001 | 0 | None | -12 | 2 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 485 | 8 | 1 | 4 | 6.6 | Cc1cc(OCc2ccccc2)ccc1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 137651358 | 157119 | 0 | None | -2 | 2 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 375 | 5 | 1 | 4 | 4.6 | Cc1nn(-c2ccccn2)c2cc(-c3ccc(CCC(=O)O)cc3F)ccc12 | 10.1021/acs.jmedchem.7b00210 | ||
| CHEMBL4075162 | 157119 | 0 | None | -2 | 2 | Mouse | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 375 | 5 | 1 | 4 | 4.6 | Cc1nn(-c2ccccn2)c2cc(-c3ccc(CCC(=O)O)cc3F)ccc12 | 10.1021/acs.jmedchem.7b00210 | ||
| 118144953 | 175624 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 461 | 8 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc3c(n2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4581212 | 175624 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 461 | 8 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc3c(n2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 58319121 | 86519 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 284 | 3 | 1 | 1 | 3.8 | O=C(O)CCc1ccc(C#Cc2ccccc2Cl)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315547 | 86519 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 284 | 3 | 1 | 1 | 3.8 | O=C(O)CCc1ccc(C#Cc2ccccc2Cl)cc1 | 10.1021/jm301470a | ||
| 1855223 | 94606 | 15 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 404 | 8 | 1 | 7 | 4.8 | COc1ccc(CSc2nnc(SCc3ccc(C(=O)O)cc3)s2)cc1 | 10.1021/jm7012425 | ||
| CHEMBL252330 | 94606 | 15 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 404 | 8 | 1 | 7 | 4.8 | COc1ccc(CSc2nnc(SCc3ccc(C(=O)O)cc3)s2)cc1 | 10.1021/jm7012425 | ||
| 71257551 | 150569 | 24 | None | -14 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 475 | 9 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCCc4cccc(OC)c43)s2)cc1 | 10.1016/j.bmcl.2016.10.074 | ||
| CHEMBL3955132 | 150569 | 24 | None | -14 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 475 | 9 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCCc4cccc(OC)c43)s2)cc1 | 10.1016/j.bmcl.2016.10.074 | ||
| 127051660 | 140242 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.7 | Cc1ccccc1NC(=O)c1nnc(COc2ccc(CCC(=O)O)cc2)s1 | 10.1016/j.bmc.2016.04.065 | ||
| CHEMBL3805668 | 140242 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.7 | Cc1ccccc1NC(=O)c1nnc(COc2ccc(CCC(=O)O)cc2)s1 | 10.1016/j.bmc.2016.04.065 | ||
| 145975293 | 163562 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.7 | Cc1ccccc1OCc1nnc(C(=O)Nc2ccc(CCC(=O)O)cc2)s1 | 10.1016/j.ejmech.2017.09.019 | ||
| CHEMBL4203402 | 163562 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.7 | Cc1ccccc1OCc1nnc(C(=O)Nc2ccc(CCC(=O)O)cc2)s1 | 10.1016/j.ejmech.2017.09.019 | ||
| 118719717 | 115636 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 512 | 12 | 1 | 6 | 5.1 | Cc1cc(OCc2cccc(-c3c(C)cc(OCCCS(C)(=O)=O)cc3C)c2)ccc1OCC(=O)O | 10.1016/j.bmc.2014.11.016 | ||
| CHEMBL3353738 | 115636 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 512 | 12 | 1 | 6 | 5.1 | Cc1cc(OCc2cccc(-c3c(C)cc(OCCCS(C)(=O)=O)cc3C)c2)ccc1OCC(=O)O | 10.1016/j.bmc.2014.11.016 | ||
| 168276115 | 190249 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 450 | 10 | 1 | 4 | 6.0 | Cc1ccc(OCC2CCC2)cc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL5175597 | 190249 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 450 | 10 | 1 | 4 | 6.0 | Cc1ccc(OCC2CCC2)cc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| 145977707 | 163932 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 411 | 8 | 2 | 6 | 4.0 | Cc1ccc(C)c(OCc2nnc(C(=O)Nc3ccc(CCC(=O)O)cc3)s2)c1 | 10.1016/j.ejmech.2017.09.019 | ||
| CHEMBL4207787 | 163932 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 411 | 8 | 2 | 6 | 4.0 | Cc1ccc(C)c(OCc2nnc(C(=O)Nc3ccc(CCC(=O)O)cc3)s2)c1 | 10.1016/j.ejmech.2017.09.019 | ||
| 90372616 | 142208 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 530 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C(OC)C2CC2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3884609 | 142208 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 530 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C(OC)C2CC2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 51349861 | 58799 | 0 | None | 77 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 348 | 8 | 1 | 3 | 5.1 | O=C(O)CCc1ccc(OCc2ccc(Oc3ccccc3)cc2)cc1 | 10.1021/jm300215x | ||
| CHEMBL1688454 | 58799 | 0 | None | 77 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 348 | 8 | 1 | 3 | 5.1 | O=C(O)CCc1ccc(OCc2ccc(Oc3ccccc3)cc2)cc1 | 10.1021/jm300215x | ||
| 25150119 | 186362 | 1 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 274 | 3 | 1 | 1 | 3.1 | C#Cc1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm8010178 | ||
| CHEMBL487570 | 186362 | 1 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 274 | 3 | 1 | 1 | 3.1 | C#Cc1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm8010178 | ||
| 137636167 | 155963 | 0 | None | -2 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 370 | 7 | 1 | 3 | 5.2 | Cc1cc(OCc2ccccc2SC(F)(F)F)ccc1CCC(=O)O | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4061630 | 155963 | 0 | None | -2 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 370 | 7 | 1 | 3 | 5.2 | Cc1cc(OCc2ccccc2SC(F)(F)F)ccc1CCC(=O)O | 10.1016/j.bmcl.2017.01.034 | ||
| 145954794 | 162499 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 502 | 9 | 1 | 5 | 4.9 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4167766 | 162499 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 502 | 9 | 1 | 5 | 4.9 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 155561223 | 175658 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 478 | 8 | 1 | 3 | 6.9 | COc1ccc(F)c(-c2cc3c(cc2F)[C@H](Oc2cccc([C@H](C4CC4)[C@H](C)C(=O)O)c2)CC3)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4581859 | 175658 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 478 | 8 | 1 | 3 | 6.9 | COc1ccc(F)c(-c2cc3c(cc2F)[C@H](Oc2cccc([C@H](C4CC4)[C@H](C)C(=O)O)c2)CC3)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 54582631 | 62129 | 0 | None | 1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 360 | 5 | 1 | 4 | 3.6 | CC#CC(CC(=O)O)c1ccc(Oc2ncc(Br)cn2)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777867 | 62129 | 0 | None | 1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 360 | 5 | 1 | 4 | 3.6 | CC#CC(CC(=O)O)c1ccc(Oc2ncc(Br)cn2)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 145968322 | 164996 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 380 | 6 | 1 | 4 | 5.3 | Cc1ccsc1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1016/j.bmc.2017.12.030 | ||
| CHEMBL4226029 | 164996 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 380 | 6 | 1 | 4 | 5.3 | Cc1ccsc1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1016/j.bmc.2017.12.030 | ||
| 145976267 | 163565 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 417 | 8 | 2 | 6 | 4.0 | O=C(O)CCc1ccc(NC(=O)c2nnc(COc3cccc(Cl)c3)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| CHEMBL4203431 | 163565 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 417 | 8 | 2 | 6 | 4.0 | O=C(O)CCc1ccc(NC(=O)c2nnc(COc3cccc(Cl)c3)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| 54583581 | 62130 | 0 | None | -2 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 307 | 5 | 1 | 5 | 2.7 | CC#CC(CC(=O)O)c1ccc(Oc2nccnc2C#N)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777868 | 62130 | 0 | None | -2 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 307 | 5 | 1 | 5 | 2.7 | CC#CC(CC(=O)O)c1ccc(Oc2nccnc2C#N)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 24825487 | 153254 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 345 | 8 | 2 | 2 | 5.4 | O=C(O)CCCc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| CHEMBL397776 | 153254 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 345 | 8 | 2 | 2 | 5.4 | O=C(O)CCCc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| 137636167 | 155963 | 0 | None | -2 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 370 | 7 | 1 | 3 | 5.2 | Cc1cc(OCc2ccccc2SC(F)(F)F)ccc1CCC(=O)O | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4061630 | 155963 | 0 | None | -2 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 370 | 7 | 1 | 3 | 5.2 | Cc1cc(OCc2ccccc2SC(F)(F)F)ccc1CCC(=O)O | 10.1016/j.bmcl.2017.01.034 | ||
| 137657972 | 159580 | 0 | None | -40 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 376 | 8 | 1 | 3 | 5.7 | Cc1cc(COc2ccc(CCC(=O)O)cc2C)cc(Oc2ccccc2)c1 | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4103243 | 159580 | 0 | None | -40 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 376 | 8 | 1 | 3 | 5.7 | Cc1cc(COc2ccc(CCC(=O)O)cc2C)cc(Oc2ccccc2)c1 | 10.1016/j.bmcl.2017.01.034 | ||
| 137656526 | 159729 | 0 | None | -2 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 356 | 7 | 1 | 3 | 4.9 | O=C(O)CCc1ccc(OCc2ccccc2SC(F)(F)F)cc1 | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4105013 | 159729 | 0 | None | -2 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 356 | 7 | 1 | 3 | 4.9 | O=C(O)CCc1ccc(OCc2ccccc2SC(F)(F)F)cc1 | 10.1016/j.bmcl.2017.01.034 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm300170m | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm300170m | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm300170m | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm300170m | ||
| 57414267 | 75582 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 476 | 11 | 1 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c1 | 10.1021/jm300170m | ||
| CHEMBL2047149 | 75582 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 476 | 11 | 1 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c1 | 10.1021/jm300170m | ||
| 23642299 | 75600 | 1 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 542 | 11 | 1 | 6 | 5.5 | Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047168 | 75600 | 1 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 542 | 11 | 1 | 6 | 5.5 | Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 24857375 | 75601 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 558 | 11 | 1 | 6 | 6.0 | Cc1cc(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047169 | 75601 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 558 | 11 | 1 | 6 | 6.0 | Cc1cc(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 131986051 | 163859 | 0 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 489 | 7 | 1 | 6 | 6.2 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C#N)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4206968 | 163859 | 0 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 489 | 7 | 1 | 6 | 6.2 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C#N)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 155526793 | 171170 | 0 | None | 2 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 462 | 9 | 1 | 3 | 6.4 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)C(F)(F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4459220 | 171170 | 0 | None | 2 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 462 | 9 | 1 | 3 | 6.4 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)C(F)(F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 15603946 | 111631 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 501 | 8 | 1 | 6 | 6.1 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)O)c2nccn2C)cc1 | 10.1021/ml400501x | ||
| CHEMBL3286409 | 111631 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 501 | 8 | 1 | 6 | 6.1 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)O)c2nccn2C)cc1 | 10.1021/ml400501x | ||
| 118129998 | 157299 | 0 | None | 5 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 485 | 11 | 1 | 7 | 4.6 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OCCOC)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4077366 | 157299 | 0 | None | 5 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 485 | 11 | 1 | 7 | 4.6 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OCCOC)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 71613518 | 89947 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 380 | 3 | 1 | 4 | 4.5 | O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1ccc(Cl)c(Cl)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381287 | 89947 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 380 | 3 | 1 | 4 | 4.5 | O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1ccc(Cl)c(Cl)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| 131986147 | 164755 | 0 | None | 6 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 456 | 7 | 1 | 5 | 6.4 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(C4CCCCC4)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4218110 | 164755 | 0 | None | 6 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 456 | 7 | 1 | 5 | 6.4 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(C4CCCCC4)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 90644290 | 111930 | 0 | None | -4 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 362 | 7 | 1 | 4 | 4.4 | Cc1cccc(C)c1-c1cccc(COc2cnc(CCC(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288348 | 111930 | 0 | None | -4 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 362 | 7 | 1 | 4 | 4.4 | Cc1cccc(C)c1-c1cccc(COc2cnc(CCC(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 118642384 | 142140 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 5.9 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883790 | 142140 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 5.9 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 155551584 | 173975 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 448 | 8 | 1 | 4 | 6.0 | COc1ccc(F)c(-c2ccc3c(c2)OC[C@@H]3Oc2cccc([C@@H](CC(=O)O)C3CC3)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4542487 | 173975 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 448 | 8 | 1 | 4 | 6.0 | COc1ccc(F)c(-c2ccc3c(c2)OC[C@@H]3Oc2cccc([C@@H](CC(=O)O)C3CC3)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 164611439 | 185209 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 313 | 4 | 2 | 1 | 4.8 | Cc1ccc(Cl)cc1-c1cc2cc(CCC(=O)O)ccc2[nH]1 | 10.1021/acs.jmedchem.1c00031 | ||
| CHEMBL4858086 | 185209 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 313 | 4 | 2 | 1 | 4.8 | Cc1ccc(Cl)cc1-c1cc2cc(CCC(=O)O)ccc2[nH]1 | 10.1021/acs.jmedchem.1c00031 | ||
| 51350272 | 58811 | 0 | None | 107 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1ccccc1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm300215x | ||
| CHEMBL1688465 | 58811 | 0 | None | 107 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1ccccc1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm300215x | ||
| 66562386 | 90341 | 0 | None | 562 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 307 | 3 | 1 | 2 | 3.4 | Cc1ccc(C#N)cc1C#Cc1ccc(CCC(=O)O)c(F)c1 | 10.1021/ml4000673 | ||
| CHEMBL2386363 | 90341 | 0 | None | 562 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 307 | 3 | 1 | 2 | 3.4 | Cc1ccc(C#N)cc1C#Cc1ccc(CCC(=O)O)c(F)c1 | 10.1021/ml4000673 | ||
| 122184685 | 122426 | 2 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 357 | 7 | 1 | 4 | 4.6 | O=C(O)CCc1ccc(OCc2coc(-c3cccc(Cl)c3)n2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3600994 | 122426 | 2 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 357 | 7 | 1 | 4 | 4.6 | O=C(O)CCc1ccc(OCc2coc(-c3cccc(Cl)c3)n2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| 57706778 | 80768 | 29 | None | -8 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/acs.jmedchem.1c00031 | ||
| CHEMBL2152070 | 80768 | 29 | None | -8 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/acs.jmedchem.1c00031 | ||
| 57706778 | 80768 | 29 | None | -8 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| CHEMBL2152070 | 80768 | 29 | None | -8 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| 57706778 | 80768 | 29 | None | -8 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300133f | ||
| CHEMBL2152070 | 80768 | 29 | None | -8 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300133f | ||
| 155533810 | 171841 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 428 | 7 | 1 | 4 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4ccccc4)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| CHEMBL4469136 | 171841 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 428 | 7 | 1 | 4 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4ccccc4)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| 121294307 | 180394 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 610 | 13 | 1 | 7 | 6.6 | COc1ccc(C(=O)N(CC(C)(C)C#N)c2ccccn2)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4752289 | 180394 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 610 | 13 | 1 | 7 | 6.6 | COc1ccc(C(=O)N(CC(C)(C)C#N)c2ccccn2)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| 86803191 | 122430 | 3 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 323 | 7 | 1 | 4 | 3.9 | O=C(O)CCc1ccc(OCc2ncc(-c3ccccc3)o2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3600998 | 122430 | 3 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 323 | 7 | 1 | 4 | 3.9 | O=C(O)CCc1ccc(OCc2ncc(-c3ccccc3)o2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| 122185434 | 122639 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 327 | 7 | 2 | 3 | 3.8 | CCOC(CC(=O)O)c1ccc(NC(=O)c2ccccc2C)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604032 | 122639 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 327 | 7 | 2 | 3 | 3.8 | CCOC(CC(=O)O)c1ccc(NC(=O)c2ccccc2C)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 818213 | 155452 | 9 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 345 | 5 | 2 | 3 | 3.9 | O=C(O)c1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 | 10.1021/jm7012425 | ||
| CHEMBL404008 | 155452 | 9 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 345 | 5 | 2 | 3 | 3.9 | O=C(O)c1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 | 10.1021/jm7012425 | ||
| 58319138 | 86522 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 266 | 3 | 2 | 2 | 2.8 | O=C(O)CCc1ccc(C#Cc2ccccc2O)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315550 | 86522 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 266 | 3 | 2 | 2 | 2.8 | O=C(O)CCc1ccc(C#Cc2ccccc2O)cc1 | 10.1021/jm301470a | ||
| 134130696 | 142112 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 490 | 9 | 1 | 4 | 6.7 | COCc1cc(C2CCc3ccc([C@@H](CC(=O)O)C4CC4)cc3O2)ccc1-c1cc(OC)ccc1F | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883449 | 142112 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 490 | 9 | 1 | 4 | 6.7 | COCc1cc(C2CCc3ccc([C@@H](CC(=O)O)C4CC4)cc3O2)ccc1-c1cc(OC)ccc1F | 10.1021/acsmedchemlett.6b00443 | ||
| 155516498 | 170098 | 0 | None | -3 | 2 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 444 | 9 | 1 | 3 | 6.1 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@H](F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4443853 | 170098 | 0 | None | -3 | 2 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 444 | 9 | 1 | 3 | 6.1 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@H](F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 137657972 | 159580 | 0 | None | -40 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 376 | 8 | 1 | 3 | 5.7 | Cc1cc(COc2ccc(CCC(=O)O)cc2C)cc(Oc2ccccc2)c1 | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4103243 | 159580 | 0 | None | -40 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 376 | 8 | 1 | 3 | 5.7 | Cc1cc(COc2ccc(CCC(=O)O)cc2C)cc(Oc2ccccc2)c1 | 10.1016/j.bmcl.2017.01.034 | ||
| 46231654 | 201661 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 368 | 4 | 1 | 5 | 3.8 | O=C1NC(=O)C(Cc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL606213 | 201661 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 368 | 4 | 1 | 5 | 3.8 | O=C1NC(=O)C(Cc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 127052270 | 140208 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 343 | 6 | 2 | 6 | 3.1 | O=C(O)CCc1nnc(C(=O)Nc2cccc(-c3ccco3)c2)s1 | 10.1016/j.bmc.2016.04.065 | ||
| CHEMBL3805303 | 140208 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 343 | 6 | 2 | 6 | 3.1 | O=C(O)CCc1nnc(C(=O)Nc2cccc(-c3ccco3)c2)s1 | 10.1016/j.bmc.2016.04.065 | ||
| 118637973 | 162719 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 444 | 7 | 1 | 3 | 7.1 | CSc1cccc(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4171391 | 162719 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 444 | 7 | 1 | 3 | 7.1 | CSc1cccc(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| 54585039 | 61773 | 5 | None | 17 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 334 | 6 | 1 | 2 | 4.0 | O=C(O)CCc1ccc(OCc2ccc(Br)cc2)cc1 | 10.1021/jm300215x | ||
| CHEMBL1773252 | 61773 | 5 | None | 17 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 334 | 6 | 1 | 2 | 4.0 | O=C(O)CCc1ccc(OCc2ccc(Br)cc2)cc1 | 10.1021/jm300215x | ||
| 24825482 | 87961 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 347 | 7 | 2 | 3 | 5.3 | CC(C(=O)O)c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| CHEMBL234268 | 87961 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 347 | 7 | 2 | 3 | 5.3 | CC(C(=O)O)c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| 127027729 | 137665 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 501 | 9 | 1 | 5 | 6.5 | O=C1NC(=O)C(Cc2ccc(OCC[C@H](Oc3ccc(Cl)cc3Cl)c3ccccc3)cc2)S1 | 10.1016/j.ejmech.2015.12.049 | ||
| CHEMBL3758719 | 137665 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 501 | 9 | 1 | 5 | 6.5 | O=C1NC(=O)C(Cc2ccc(OCC[C@H](Oc3ccc(Cl)cc3Cl)c3ccccc3)cc2)S1 | 10.1016/j.ejmech.2015.12.049 | ||
| 127025867 | 137752 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 395 | 6 | 1 | 6 | 4.1 | CC(C)n1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc21 | 10.1016/j.ejmech.2015.12.049 | ||
| CHEMBL3759448 | 137752 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 395 | 6 | 1 | 6 | 4.1 | CC(C)n1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc21 | 10.1016/j.ejmech.2015.12.049 | ||
| 797771 | 94629 | 14 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 312 | 6 | 0 | 7 | 3.1 | COC(=O)CSc1nnc(SCc2ccccc2)s1 | 10.1021/jm7012425 | ||
| CHEMBL252526 | 94629 | 14 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 312 | 6 | 0 | 7 | 3.1 | COC(=O)CSc1nnc(SCc2ccccc2)s1 | 10.1021/jm7012425 | ||
| 1201156 | 155102 | 17 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 297 | 5 | 1 | 5 | 2.3 | O=C(O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S | 10.1021/jm7012425 | ||
| CHEMBL402053 | 155102 | 17 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 297 | 5 | 1 | 5 | 2.3 | O=C(O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S | 10.1021/jm7012425 | ||
| 46854655 | 394 | 47 | None | -8 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| 6485 | 394 | 47 | None | -8 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL1829173 | 394 | 47 | None | -8 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| 145965455 | 164118 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 546 | 12 | 1 | 7 | 4.2 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4210139 | 164118 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 546 | 12 | 1 | 7 | 4.2 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| 127048843 | 140231 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 387 | 6 | 2 | 5 | 4.1 | O=C(O)CCc1nnc(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)s1 | 10.1016/j.bmc.2016.04.065 | ||
| CHEMBL3805558 | 140231 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 387 | 6 | 2 | 5 | 4.1 | O=C(O)CCc1nnc(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)s1 | 10.1016/j.bmc.2016.04.065 | ||
| 118623088 | 142102 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 446 | 7 | 1 | 3 | 6.5 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883407 | 142102 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 446 | 7 | 1 | 3 | 6.5 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 57414540 | 75593 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 529 | 11 | 1 | 5 | 5.9 | Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047160 | 75593 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 529 | 11 | 1 | 5 | 5.9 | Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 57414676 | 75595 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 534 | 9 | 1 | 6 | 6.7 | Cc1cc(OCc2cccc3nccn23)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047163 | 75595 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 534 | 9 | 1 | 6 | 6.7 | Cc1cc(OCc2cccc3nccn23)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 57414677 | 75596 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 552 | 13 | 1 | 6 | 5.8 | CCc1cc(OCCCS(C)(=O)=O)cc(CC)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047164 | 75596 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 552 | 13 | 1 | 6 | 5.8 | CCc1cc(OCCCS(C)(=O)=O)cc(CC)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 24857376 | 75602 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 592 | 11 | 1 | 6 | 6.6 | Cc1c(Cl)c(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047170 | 75602 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 592 | 11 | 1 | 6 | 6.6 | Cc1c(Cl)c(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 121294284 | 181333 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 613 | 12 | 1 | 6 | 7.4 | COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4763105 | 181333 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 613 | 12 | 1 | 6 | 7.4 | COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 121294846 | 183528 | 1 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 614 | 12 | 1 | 7 | 6.8 | COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(COc3cc(C(CC(=O)O)C4CC4)ccn3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4800194 | 183528 | 1 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 614 | 12 | 1 | 7 | 6.8 | COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(COc3cc(C(CC(=O)O)C4CC4)ccn3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 162664735 | 182062 | 0 | None | -7 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 521 | 9 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(OC)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4781604 | 182062 | 0 | None | -7 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 521 | 9 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(OC)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 67087041 | 182347 | 0 | None | -14 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 542 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3c(Cl)cccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4785057 | 182347 | 0 | None | -14 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 542 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3c(Cl)cccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 68194159 | 183037 | 0 | None | -4 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 512 | 8 | 1 | 5 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2sc(CN3CCC4(C=Cc5ccccc54)CC3)nc2C)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4794233 | 183037 | 0 | None | -4 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 512 | 8 | 1 | 5 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2sc(CN3CCC4(C=Cc5ccccc54)CC3)nc2C)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 162674998 | 183367 | 0 | None | -5 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(F)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4798023 | 183367 | 0 | None | -5 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(F)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 118645756 | 181438 | 7 | None | -2 | 3 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 479 | 11 | 1 | 6 | 5.4 | COc1cc(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2CC(C)C)c(F)cn1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4764485 | 181438 | 7 | None | -2 | 3 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 479 | 11 | 1 | 6 | 5.4 | COc1cc(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2CC(C)C)c(F)cn1 | 10.1016/j.bmcl.2018.01.013 | ||
| 60195036 | 81692 | 0 | None | 630 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 481 | 12 | 2 | 5 | 5.1 | Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm3002026 | ||
| CHEMBL2163924 | 81692 | 0 | None | 630 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 481 | 12 | 2 | 5 | 5.1 | Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm3002026 | ||
| 60195040 | 81765 | 0 | None | 5248 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 377 | 7 | 2 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm3002026 | ||
| CHEMBL2164241 | 81765 | 0 | None | 5248 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 377 | 7 | 2 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm3002026 | ||
| 51350135 | 58816 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 378 | 7 | 1 | 2 | 5.5 | Cc1cccc(C)c1-c1cccc(COc2ccc(CC(F)C(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| CHEMBL1688470 | 58816 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 378 | 7 | 1 | 2 | 5.5 | Cc1cccc(C)c1-c1cccc(COc2ccc(CC(F)C(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| 51350136 | 58817 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 374 | 7 | 1 | 2 | 5.8 | Cc1cccc(C)c1-c1cccc(COc2ccc(CC(C)C(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| CHEMBL1688471 | 58817 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 374 | 7 | 1 | 2 | 5.8 | Cc1cccc(C)c1-c1cccc(COc2ccc(CC(C)C(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| 145974173 | 164575 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 490 | 9 | 1 | 3 | 8.0 | COc1ccc(F)c(-c2ccc(COc3cccc([C@H](C)CC(=O)O)c3)cc2[C@@H]2CCCC2(C)C)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| CHEMBL4215771 | 164575 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 490 | 9 | 1 | 3 | 8.0 | COc1ccc(F)c(-c2ccc(COc3cccc([C@H](C)CC(=O)O)c3)cc2[C@@H]2CCCC2(C)C)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| 168294830 | 192209 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 382 | 8 | 1 | 4 | 4.5 | COc1ccc(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)cc1 | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL5205109 | 192209 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 382 | 8 | 1 | 4 | 4.5 | COc1ccc(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)cc1 | 10.1016/j.bmc.2022.116615 | ||
| 87262743 | 158757 | 0 | None | 4 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 449 | 6 | 1 | 4 | 5.6 | O=C(O)C[C@@H]1C[C@H](C(F)(F)F)CN1c1ccc(Oc2ccccc2OC(F)(F)F)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4094160 | 158757 | 0 | None | 4 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 449 | 6 | 1 | 4 | 5.6 | O=C(O)C[C@@H]1C[C@H](C(F)(F)F)CN1c1ccc(Oc2ccccc2OC(F)(F)F)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 145989151 | 167178 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 386 | 6 | 1 | 4 | 4.1 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3c(Cl)cccc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4291567 | 167178 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 386 | 6 | 1 | 4 | 4.1 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3c(Cl)cccc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 51031010 | 156607 | 0 | None | -3 | 2 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 409 | 6 | 1 | 4 | 5.0 | COc1ccc(Oc2ccc(N3C[C@@H](C(F)(F)F)C[C@H]3CC(=O)O)cc2)c(C)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4069191 | 156607 | 0 | None | -3 | 2 | Mouse | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 409 | 6 | 1 | 4 | 5.0 | COc1ccc(Oc2ccc(N3C[C@@H](C(F)(F)F)C[C@H]3CC(=O)O)cc2)c(C)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 23082861 | 58837 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 298 | 9 | 1 | 2 | 4.1 | O=C(O)CCc1ccc(OCCCCc2ccccc2)cc1 | 10.1021/jm101405t | ||
| CHEMBL1688491 | 58837 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 298 | 9 | 1 | 2 | 4.1 | O=C(O)CCc1ccc(OCCCCc2ccccc2)cc1 | 10.1021/jm101405t | ||
| 23111708 | 74020 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 386 | 6 | 1 | 3 | 5.9 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(CC(=O)O)coc3c2)c1 | 10.1021/ml1000855 | ||
| CHEMBL2022246 | 74020 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 386 | 6 | 1 | 3 | 5.9 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(CC(=O)O)coc3c2)c1 | 10.1021/ml1000855 | ||
| 122185431 | 122636 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 338 | 8 | 1 | 5 | 3.4 | CCOC(Cc1nnn[nH]1)c1ccc(OCc2ccccc2C)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604029 | 122636 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 338 | 8 | 1 | 5 | 3.4 | CCOC(Cc1nnn[nH]1)c1ccc(OCc2ccccc2C)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 58218671 | 157174 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 341 | 7 | 1 | 4 | 4.3 | CCOc1ccccc1Oc1ccc(N2CCC[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4075885 | 157174 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 341 | 7 | 1 | 4 | 4.3 | CCOc1ccccc1Oc1ccc(N2CCC[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 137661475 | 159434 | 0 | None | -1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@H](C(F)(F)F)C[C@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4101348 | 159434 | 0 | None | -1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@H](C(F)(F)F)C[C@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 54582629 | 62126 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 355 | 5 | 1 | 3 | 5.1 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)c3ccccc23)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777864 | 62126 | 0 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 355 | 5 | 1 | 3 | 5.1 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)c3ccccc23)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 145950126 | 162836 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 511 | 7 | 1 | 4 | 6.1 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4173085 | 162836 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 511 | 7 | 1 | 4 | 6.1 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 24825492 | 149518 | 0 | None | 9 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 333 | 6 | 2 | 2 | 4.1 | O=C(O)CCc1ccc(NCc2cccc(Br)c2)cc1 | 10.1021/ml100106c | ||
| CHEMBL394666 | 149518 | 0 | None | 9 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 333 | 6 | 2 | 2 | 4.1 | O=C(O)CCc1ccc(NCc2cccc(Br)c2)cc1 | 10.1021/ml100106c | ||
| 44409698 | 76726 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 374 | 8 | 1 | 3 | 5.1 | CN(C)C(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL206779 | 76726 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 374 | 8 | 1 | 3 | 5.1 | CN(C)C(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 145967263 | 164421 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 469 | 11 | 1 | 7 | 3.6 | CO/N=C(\COc1ccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)cc1)c1ccccc1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4213829 | 164421 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 469 | 11 | 1 | 7 | 3.6 | CO/N=C(\COc1ccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)cc1)c1ccccc1 | 10.1016/j.ejmech.2017.07.001 | ||
| 54757736 | 65316 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 283 | 3 | 1 | 2 | 2.9 | Cc1cnc(F)cc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm2005699 | ||
| CHEMBL1829164 | 65316 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 283 | 3 | 1 | 2 | 2.9 | Cc1cnc(F)cc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm2005699 | ||
| 3367 | 1148 | 1 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 416 | 4 | 1 | 5 | 4.7 | O=C1NC(=O)C(S1)Cc1ccc(cc1C)Oc1ncc(cc1Cl)C(F)(F)F | 10.1021/ml100106c | ||
| 46216676 | 1148 | 1 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 416 | 4 | 1 | 5 | 4.7 | O=C1NC(=O)C(S1)Cc1ccc(cc1C)Oc1ncc(cc1Cl)C(F)(F)F | 10.1021/ml100106c | ||
| CHEMBL604126 | 1148 | 1 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 416 | 4 | 1 | 5 | 4.7 | O=C1NC(=O)C(S1)Cc1ccc(cc1C)Oc1ncc(cc1Cl)C(F)(F)F | 10.1021/ml100106c | ||
| 127049161 | 140273 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.7 | Cc1cccc(NC(=O)c2nnc(COc3ccc(CCC(=O)O)cc3)s2)c1 | 10.1016/j.bmc.2016.04.065 | ||
| CHEMBL3806055 | 140273 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.7 | Cc1cccc(NC(=O)c2nnc(COc3ccc(CCC(=O)O)cc3)s2)c1 | 10.1016/j.bmc.2016.04.065 | ||
| 145963593 | 161389 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 463 | 10 | 1 | 6 | 4.8 | COc1ccc(C(OCCOc2ccc(CC3SC(=O)NC3=O)cc2)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.03.051 | ||
| CHEMBL4126802 | 161389 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 463 | 10 | 1 | 6 | 4.8 | COc1ccc(C(OCCOc2ccc(CC3SC(=O)NC3=O)cc2)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.03.051 | ||
| 155517179 | 170119 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 442 | 7 | 1 | 4 | 5.4 | O=C(O)CCc1ccc(OC[C@@H]2COc3ccc(-c4ccc(Cl)cc4)cc3O2)cc1F | 10.1016/j.bmcl.2019.01.014 | ||
| CHEMBL4444223 | 170119 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 442 | 7 | 1 | 4 | 5.4 | O=C(O)CCc1ccc(OC[C@@H]2COc3ccc(-c4ccc(Cl)cc4)cc3O2)cc1F | 10.1016/j.bmcl.2019.01.014 | ||
| 1050 | 1889 | 94 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/jm0614782 | ||
| 11595431 | 1889 | 94 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/jm0614782 | ||
| CHEMBL207881 | 1889 | 94 | None | -1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/jm0614782 | ||
| 145962072 | 162344 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 505 | 7 | 1 | 3 | 6.0 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4165184 | 162344 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 505 | 7 | 1 | 3 | 6.0 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 127048844 | 140173 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 383 | 8 | 2 | 6 | 3.4 | O=C(O)CCc1nnc(C(=O)Nc2ccc(OCc3ccccc3)cc2)s1 | 10.1016/j.bmc.2016.04.065 | ||
| CHEMBL3804883 | 140173 | 0 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 383 | 8 | 2 | 6 | 3.4 | O=C(O)CCc1nnc(C(=O)Nc2ccc(OCc3ccccc3)cc2)s1 | 10.1016/j.bmc.2016.04.065 | ||
| 57414402 | 75585 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 488 | 9 | 1 | 5 | 5.9 | Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047152 | 75585 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 488 | 9 | 1 | 5 | 5.9 | Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 57414543 | 75594 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 529 | 9 | 1 | 6 | 7.2 | Cc1nc(C)c(COc2cc(C)c(-c3cccc(COc4ccc5c(c4)OC[C@H]5CC(=O)O)c3)c(C)c2)s1 | 10.1021/jm300170m | ||
| CHEMBL2047162 | 75594 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 529 | 9 | 1 | 6 | 7.2 | Cc1nc(C)c(COc2cc(C)c(-c3cccc(COc4ccc5c(c4)OC[C@H]5CC(=O)O)c3)c(C)c2)s1 | 10.1021/jm300170m | ||
| 57414679 | 75598 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 552 | 11 | 1 | 6 | 5.9 | Cc1c(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c(C)c1OCCCS(C)(=O)=O | 10.1021/jm300170m | ||
| CHEMBL2047166 | 75598 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 552 | 11 | 1 | 6 | 5.9 | Cc1c(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c(C)c1OCCCS(C)(=O)=O | 10.1021/jm300170m | ||
| 131986115 | 164691 | 0 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 556 | 11 | 1 | 7 | 6.5 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(F)c(-c4ccc(OCCOC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4217348 | 164691 | 0 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 556 | 11 | 1 | 7 | 6.5 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(F)c(-c4ccc(OCCOC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 46231780 | 200782 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 415 | 4 | 1 | 4 | 5.4 | Cc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1CC1SC(=O)NC1=O | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL600799 | 200782 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 415 | 4 | 1 | 4 | 5.4 | Cc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1CC1SC(=O)NC1=O | 10.1016/j.bmcl.2009.10.052 | ||
| 90644299 | 111939 | 0 | None | 5 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 379 | 7 | 1 | 3 | 5.4 | Cc1cccc(C)c1-c1cccc(COc2ccc(C(F)CC(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288357 | 111939 | 0 | None | 5 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 379 | 7 | 1 | 3 | 5.4 | Cc1cccc(C)c1-c1cccc(COc2ccc(C(F)CC(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 162667620 | 182533 | 0 | None | -3 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4787628 | 182533 | 0 | None | -3 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| 131986075 | 163885 | 0 | None | 2 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 466 | 7 | 1 | 7 | 5.1 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4cncnc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4207273 | 163885 | 0 | None | 2 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 466 | 7 | 1 | 7 | 5.1 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4cncnc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 11674915 | 58832 | 1 | None | -1 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 360 | 7 | 1 | 2 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL1688486 | 58832 | 1 | None | -1 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 360 | 7 | 1 | 2 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 118645715 | 181463 | 0 | None | -1 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 517 | 10 | 1 | 6 | 6.4 | COc1cc(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C2=CCCC2(C)C)c(F)cn1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4764729 | 181463 | 0 | None | -1 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 517 | 10 | 1 | 6 | 6.4 | COc1cc(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C2=CCCC2(C)C)c(F)cn1 | 10.1016/j.bmcl.2018.01.013 | ||
| 118623088 | 142102 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 446 | 7 | 1 | 3 | 6.5 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883407 | 142102 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 446 | 7 | 1 | 3 | 6.5 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 73345869 | 90333 | 0 | None | 75 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 321 | 5 | 1 | 2 | 3.7 | N#CCCc1ccccc1C#Cc1ccc(CCC(=O)O)c(F)c1 | 10.1021/ml4000673 | ||
| CHEMBL2386355 | 90333 | 0 | None | 75 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 321 | 5 | 1 | 2 | 3.7 | N#CCCc1ccccc1C#Cc1ccc(CCC(=O)O)c(F)c1 | 10.1021/ml4000673 | ||
| 66562488 | 90342 | 0 | None | 64 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 336 | 4 | 1 | 1 | 4.3 | O=C(O)CCc1ccc(C#Cc2cc(F)ccc2C(F)F)cc1F | 10.1021/ml4000673 | ||
| CHEMBL2386364 | 90342 | 0 | None | 64 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 336 | 4 | 1 | 1 | 4.3 | O=C(O)CCc1ccc(C#Cc2cc(F)ccc2C(F)F)cc1F | 10.1021/ml4000673 | ||
| 145970463 | 165152 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 413 | 6 | 1 | 5 | 5.1 | Cc1noc(C)c1-c1cc(COc2ccc3c(c2)OCC3CC(=O)O)ccc1Cl | 10.1016/j.bmc.2017.12.030 | ||
| CHEMBL4228406 | 165152 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 413 | 6 | 1 | 5 | 5.1 | Cc1noc(C)c1-c1cc(COc2ccc3c(c2)OCC3CC(=O)O)ccc1Cl | 10.1016/j.bmc.2017.12.030 | ||
| 46941175 | 61782 | 26 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 345 | 7 | 2 | 2 | 5.3 | Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm2005699 | ||
| CHEMBL1773261 | 61782 | 26 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 345 | 7 | 2 | 2 | 5.3 | Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm2005699 | ||
| 46941175 | 61782 | 26 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 345 | 7 | 2 | 2 | 5.3 | Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/ml100106c | ||
| CHEMBL1773261 | 61782 | 26 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 345 | 7 | 2 | 2 | 5.3 | Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/ml100106c | ||
| 46941175 | 61782 | 26 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 345 | 7 | 2 | 2 | 5.3 | Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm3002026 | ||
| CHEMBL1773261 | 61782 | 26 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 345 | 7 | 2 | 2 | 5.3 | Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm3002026 | ||
| 57402427 | 69992 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 308 | 6 | 1 | 2 | 4.2 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C)cc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| CHEMBL1939648 | 69992 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 308 | 6 | 1 | 2 | 4.2 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C)cc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| 121294843 | 182480 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 543 | 11 | 1 | 6 | 5.6 | COc1ccc(C(=O)N(C)c2ccccn2)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4786992 | 182480 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 543 | 11 | 1 | 6 | 5.6 | COc1ccc(C(=O)N(C)c2ccccn2)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 137638341 | 156745 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 544 | 7 | 1 | 7 | 5.0 | COc1cc(N2CC[C@@H](Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](F)C2)c(Cl)cn1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4070721 | 156745 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 544 | 7 | 1 | 7 | 5.0 | COc1cc(N2CC[C@@H](Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](F)C2)c(Cl)cn1 | 10.1021/acs.jmedchem.7b00982 | ||
| 23111671 | 74028 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 416 | 6 | 1 | 4 | 6.1 | O=C(O)CC1COc2cc(OCc3cccc(-c4ccc5sccc5c4)c3)ccc21 | 10.1021/jm2012968 | ||
| CHEMBL2022254 | 74028 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 416 | 6 | 1 | 4 | 6.1 | O=C(O)CC1COc2cc(OCc3cccc(-c4ccc5sccc5c4)c3)ccc21 | 10.1021/jm2012968 | ||
| 58230552 | 182195 | 0 | None | -4 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 471 | 8 | 1 | 3 | 6.0 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4783190 | 182195 | 0 | None | -4 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 471 | 8 | 1 | 3 | 6.0 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| 853224 | 94546 | 11 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 348 | 6 | 1 | 6 | 4.2 | O=C(O)CSc1nnc(SCc2cccc3ccccc23)s1 | 10.1021/jm7012425 | ||
| CHEMBL251963 | 94546 | 11 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 348 | 6 | 1 | 6 | 4.2 | O=C(O)CSc1nnc(SCc2cccc3ccccc23)s1 | 10.1021/jm7012425 | ||
| 51350134 | 58815 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 376 | 7 | 1 | 2 | 6.3 | Cc1cccc(C)c1-c1cccc(CSc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| CHEMBL1688469 | 58815 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 376 | 7 | 1 | 2 | 6.3 | Cc1cccc(C)c1-c1cccc(CSc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| 168289957 | 191605 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 398 | 13 | 1 | 4 | 5.7 | COc1ccc(/C=C/c2cc(OC)cc(OCCCCCCCC(=O)O)c2)cc1 | 10.1016/j.ejmech.2021.114061 | ||
| CHEMBL5195742 | 191605 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 398 | 13 | 1 | 4 | 5.7 | COc1ccc(/C=C/c2cc(OC)cc(OCCCCCCCC(=O)O)c2)cc1 | 10.1016/j.ejmech.2021.114061 | ||
| 142738583 | 162330 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 293 | 5 | 2 | 1 | 4.4 | CCc1ccccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1 | 10.1021/acsmedchemlett.7b00460 | ||
| CHEMBL4165039 | 162330 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 293 | 5 | 2 | 1 | 4.4 | CCc1ccccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1 | 10.1021/acsmedchemlett.7b00460 | ||
| 142738569 | 162720 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 343 | 4 | 2 | 1 | 4.6 | O=C(O)CCc1ccc2[nH]c(-c3cccc(Br)c3)cc2c1 | 10.1021/acsmedchemlett.7b00460 | ||
| CHEMBL4171403 | 162720 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 343 | 4 | 2 | 1 | 4.6 | O=C(O)CCc1ccc2[nH]c(-c3cccc(Br)c3)cc2c1 | 10.1021/acsmedchemlett.7b00460 | ||
| 1052 | 2307 | 85 | None | -5 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2008.10.085 | ||
| 3323 | 2307 | 85 | None | -5 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2008.10.085 | ||
| 5280450 | 2307 | 85 | None | -5 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2008.10.085 | ||
| CHEMBL267476 | 2307 | 85 | None | -5 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2008.10.085 | ||
| DB14104 | 2307 | 85 | None | -5 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2008.10.085 | ||
| 145987969 | 167045 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 346 | 4 | 1 | 2 | 4.5 | O=C(O)C#Cc1ccc(OCc2cccc(-c3cccc(F)c3)c2)cc1 | 10.1016/j.ejmech.2018.08.075 | ||
| CHEMBL4289432 | 167045 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 346 | 4 | 1 | 2 | 4.5 | O=C(O)C#Cc1ccc(OCc2cccc(-c3cccc(F)c3)c2)cc1 | 10.1016/j.ejmech.2018.08.075 | ||
| 137638355 | 156805 | 0 | None | -97 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 318 | 6 | 1 | 2 | 4.6 | Cc1ccc(Cl)c(COc2ccc(CCC(=O)O)cc2C)c1 | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4071290 | 156805 | 0 | None | -97 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 318 | 6 | 1 | 2 | 4.6 | Cc1ccc(Cl)c(COc2ccc(CCC(=O)O)cc2C)c1 | 10.1016/j.bmcl.2017.01.034 | ||
| 60195125 | 3857 | 8 | None | -4 | 3 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 499 | 12 | 2 | 5 | 5.2 | OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm3002026 | ||
| 9149 | 3857 | 8 | None | -4 | 3 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 499 | 12 | 2 | 5 | 5.2 | OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm3002026 | ||
| CHEMBL2164242 | 3857 | 8 | None | -4 | 3 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 499 | 12 | 2 | 5 | 5.2 | OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm3002026 | ||
| 24825509 | 87917 | 0 | None | 29 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | O=C(O)CCc1ccc(NCc2ccc(Oc3ccccc3)cc2)cc1 | 10.1021/ml100106c | ||
| CHEMBL234057 | 87917 | 0 | None | 29 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | O=C(O)CCc1ccc(NCc2ccc(Oc3ccccc3)cc2)cc1 | 10.1021/ml100106c | ||
| 127033353 | 139126 | 0 | None | 2 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 278 | 5 | 1 | 1 | 3.7 | O=C(O)CCc1ccc(C#CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.5b01962 | ||
| CHEMBL3787151 | 139126 | 0 | None | 2 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 278 | 5 | 1 | 1 | 3.7 | O=C(O)CCc1ccc(C#CCCc2ccccc2)cc1 | 10.1021/acs.jmedchem.5b01962 | ||
| 134134229 | 143230 | 0 | None | -61 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 368 | 5 | 1 | 3 | 5.2 | O=C(O)CCc1cc2cc(-c3cc(OC(F)(F)F)ccc3F)ccc2o1 | 10.1021/acsmedchemlett.6b00360 | ||
| CHEMBL3896657 | 143230 | 0 | None | -61 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 368 | 5 | 1 | 3 | 5.2 | O=C(O)CCc1cc2cc(-c3cc(OC(F)(F)F)ccc3F)ccc2o1 | 10.1021/acsmedchemlett.6b00360 | ||
| 134134229 | 143230 | 0 | None | -61 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 368 | 5 | 1 | 3 | 5.2 | O=C(O)CCc1cc2cc(-c3cc(OC(F)(F)F)ccc3F)ccc2o1 | 10.1016/j.bmcl.2016.10.054 | ||
| CHEMBL3896657 | 143230 | 0 | None | -61 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 368 | 5 | 1 | 3 | 5.2 | O=C(O)CCc1cc2cc(-c3cc(OC(F)(F)F)ccc3F)ccc2o1 | 10.1016/j.bmcl.2016.10.054 | ||
| 57706097 | 163718 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 516 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@H](CC(=O)O)C4CC4)c3)cc2[C@@H]2CCCC2(C)C)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| CHEMBL4205339 | 163718 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 516 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@H](CC(=O)O)C4CC4)c3)cc2[C@@H]2CCCC2(C)C)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| 58319126 | 86488 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 292 | 4 | 1 | 2 | 3.3 | CC(=O)c1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315248 | 86488 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 292 | 4 | 1 | 2 | 3.3 | CC(=O)c1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm301470a | ||
| 54757734 | 65314 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 327 | 4 | 1 | 2 | 4.2 | O=C(O)CCc1ccc(C#Cc2ccnc(-c3ccccc3)c2)cc1 | 10.1021/jm2005699 | ||
| CHEMBL1829162 | 65314 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 327 | 4 | 1 | 2 | 4.2 | O=C(O)CCc1ccc(C#Cc2ccnc(-c3ccccc3)c2)cc1 | 10.1021/jm2005699 | ||
| 54586984 | 61777 | 0 | None | 34 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 323 | 6 | 2 | 2 | 4.3 | O=C(O)CCc1ccc(NCc2cccc(C(F)(F)F)c2)cc1 | 10.1021/ml100106c | ||
| CHEMBL1773256 | 61777 | 0 | None | 34 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 323 | 6 | 2 | 2 | 4.3 | O=C(O)CCc1ccc(NCc2cccc(C(F)(F)F)c2)cc1 | 10.1021/ml100106c | ||
| 23136477 | 58800 | 3 | None | -15 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 332 | 7 | 1 | 2 | 5.0 | O=C(O)CCc1ccc(OCc2ccccc2-c2ccccc2)cc1 | 10.1016/j.bmc.2017.10.040 | ||
| CHEMBL1688455 | 58800 | 3 | None | -15 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 332 | 7 | 1 | 2 | 5.0 | O=C(O)CCc1ccc(OCc2ccccc2-c2ccccc2)cc1 | 10.1016/j.bmc.2017.10.040 | ||
| CHEMBL4213909 | 58800 | 3 | None | -15 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 332 | 7 | 1 | 2 | 5.0 | O=C(O)CCc1ccc(OCc2ccccc2-c2ccccc2)cc1 | 10.1016/j.bmc.2017.10.040 | ||
| 37289 | 166498 | 19 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 216 | 10 | 2 | 2 | 3.0 | CCCCCCC(O)CCCCC(=O)O | 10.1039/C7MD00130D | ||
| CHEMBL4279005 | 166498 | 19 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 216 | 10 | 2 | 2 | 3.0 | CCCCCCC(O)CCCCC(=O)O | 10.1039/C7MD00130D | ||
| 127051856 | 140702 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 630 | 16 | 2 | 10 | 6.3 | Cc1cc(OCCOCCNc2ccc([N+](=O)[O-])c3nonc23)ccc1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL3817889 | 140702 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 630 | 16 | 2 | 10 | 6.3 | Cc1cc(OCCOCCNc2ccc([N+](=O)[O-])c3nonc23)ccc1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/acs.jmedchem.6b00202 | ||
| 145956671 | 162042 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 533 | 9 | 1 | 7 | 4.8 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4160566 | 162042 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 533 | 9 | 1 | 7 | 4.8 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 46231715 | 200926 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 334 | 4 | 1 | 5 | 3.4 | O=C1NC(=O)C(Cc2ccc(Oc3ccc(Cl)cn3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL601850 | 200926 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 334 | 4 | 1 | 5 | 3.4 | O=C1NC(=O)C(Cc2ccc(Oc3ccc(Cl)cn3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 25766502 | 122489 | 3 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 344 | 6 | 1 | 5 | 3.6 | O=C(O)Cc1ccc(OCc2nc(-c3cccc(Cl)c3)no2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3601061 | 122489 | 3 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 344 | 6 | 1 | 5 | 3.6 | O=C(O)Cc1ccc(OCc2nc(-c3cccc(Cl)c3)no2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| 127027011 | 137604 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 409 | 7 | 1 | 6 | 4.2 | CC(C)Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc21 | 10.1016/j.ejmech.2015.12.049 | ||
| CHEMBL3758197 | 137604 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 409 | 7 | 1 | 6 | 4.2 | CC(C)Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc21 | 10.1016/j.ejmech.2015.12.049 | ||
| 51350406 | 58833 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 360 | 7 | 1 | 2 | 5.6 | Cc1cccc(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)c1C | 10.1021/jm101405t | ||
| CHEMBL1688487 | 58833 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 360 | 7 | 1 | 2 | 5.6 | Cc1cccc(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)c1C | 10.1021/jm101405t | ||
| 10668 | 1940 | 16 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 366 | 7 | 1 | 3 | 4.8 | OC(=O)COc1ccc(cc1F)OCc1cccc(c1)c1ccccc1C | 10.1016/j.bmcl.2021.127969 | ||
| 139600331 | 1940 | 16 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 366 | 7 | 1 | 3 | 4.8 | OC(=O)COc1ccc(cc1F)OCc1cccc(c1)c1ccccc1C | 10.1016/j.bmcl.2021.127969 | ||
| CHEMBL5169614 | 1940 | 16 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 366 | 7 | 1 | 3 | 4.8 | OC(=O)COc1ccc(cc1F)OCc1cccc(c1)c1ccccc1C | 10.1016/j.bmcl.2021.127969 | ||
| 44572033 | 179552 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 548 | 13 | 1 | 5 | 7.8 | O=C(O)CCc1ccc(OCc2ccc(CC(CCc3ccccn3)c3nc(-c4ccccc4)cs3)cc2)cc1 | 10.1016/j.bmcl.2008.10.085 | ||
| CHEMBL474195 | 179552 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 548 | 13 | 1 | 5 | 7.8 | O=C(O)CCc1ccc(OCc2ccc(CC(CCc3ccccn3)c3nc(-c4ccccc4)cs3)cc2)cc1 | 10.1016/j.bmcl.2008.10.085 | ||
| 90655862 | 111224 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 492 | 9 | 1 | 5 | 6.7 | COc1cc(-c2ccc(COc3cc([C@H](C)CC(=O)O)ccn3)cc2[C@@H]2CCCC2(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| CHEMBL3265146 | 111224 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 492 | 9 | 1 | 5 | 6.7 | COc1cc(-c2ccc(COc3cc([C@H](C)CC(=O)O)ccn3)cc2[C@@H]2CCCC2(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| 57414680 | 75599 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 554 | 8 | 1 | 6 | 5.6 | Cc1cc(OC2CCS(=O)(=O)CC2)c(F)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047167 | 75599 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 554 | 8 | 1 | 6 | 5.6 | Cc1cc(OC2CCS(=O)(=O)CC2)c(F)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 57414542 | 77187 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 501 | 8 | 1 | 5 | 6.0 | Cc1cc(OC2CCN(C)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047161 | 77187 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 501 | 8 | 1 | 5 | 6.0 | Cc1cc(OC2CCN(C)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2079433 | 77187 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 501 | 8 | 1 | 5 | 6.0 | Cc1cc(OC2CCN(C)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 131986140 | 163496 | 0 | None | 1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 542 | 7 | 1 | 5 | 7.1 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(Br)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4202612 | 163496 | 0 | None | 1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 542 | 7 | 1 | 5 | 7.1 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(Br)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 67058227 | 119108 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 394 | 7 | 1 | 3 | 5.3 | CCO[C@@H](CC(=O)O)c1ccc(O[C@H]2CCc3c2cccc3C(F)(F)F)cc1 | 10.1021/ml500391n | ||
| CHEMBL3427713 | 119108 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 394 | 7 | 1 | 3 | 5.3 | CCO[C@@H](CC(=O)O)c1ccc(O[C@H]2CCc3c2cccc3C(F)(F)F)cc1 | 10.1021/ml500391n | ||
| 122185436 | 122649 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 334 | 8 | 1 | 3 | 4.5 | CCOC(CC(=O)O)c1ccc(OCc2cccc(Cl)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604041 | 122649 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 334 | 8 | 1 | 3 | 4.5 | CCOC(CC(=O)O)c1ccc(OCc2cccc(Cl)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 67087246 | 182853 | 5 | None | -12 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 493 | 8 | 1 | 3 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4791842 | 182853 | 5 | None | -12 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 493 | 8 | 1 | 3 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 131986140 | 163496 | 0 | None | -1 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 542 | 7 | 1 | 5 | 7.1 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(Br)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4202612 | 163496 | 0 | None | -1 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 542 | 7 | 1 | 5 | 7.1 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(Br)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 131986132 | 163835 | 0 | None | 1 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 554 | 11 | 3 | 8 | 5.1 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCC(O)CO)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4206640 | 163835 | 0 | None | 1 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 554 | 11 | 3 | 8 | 5.1 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCC(O)CO)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 131986051 | 163859 | 0 | None | -1 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 489 | 7 | 1 | 6 | 6.2 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C#N)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4206968 | 163859 | 0 | None | -1 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 489 | 7 | 1 | 6 | 6.2 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C#N)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 118642372 | 162440 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 429 | 7 | 1 | 4 | 5.8 | COc1cc(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4166943 | 162440 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 429 | 7 | 1 | 4 | 5.8 | COc1cc(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 71613314 | 89968 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 402 | 4 | 1 | 4 | 5.1 | Cc1ccccc1-c1cccc([C@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381308 | 89968 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 402 | 4 | 1 | 4 | 5.1 | Cc1ccccc1-c1cccc([C@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| 149454889 | 169707 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 385 | 7 | 2 | 3 | 5.2 | O=C(O)COc1ccc(NCc2cccc(-c3ccccc3Cl)c2)cc1F | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL4438440 | 169707 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 385 | 7 | 2 | 3 | 5.2 | O=C(O)COc1ccc(NCc2cccc(-c3ccccc3Cl)c2)cc1F | 10.1016/j.ejmech.2019.06.087 | ||
| 67072752 | 86500 | 0 | None | 5 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 289 | 4 | 1 | 2 | 3.2 | N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315528 | 86500 | 0 | None | 5 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 289 | 4 | 1 | 2 | 3.2 | N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm301470a | ||
| 67072752 | 86500 | 0 | None | 5 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 289 | 4 | 1 | 2 | 3.2 | N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/ml4000673 | ||
| CHEMBL2315528 | 86500 | 0 | None | 5 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 289 | 4 | 1 | 2 | 3.2 | N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/ml4000673 | ||
| 58172999 | 122672 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 356 | 8 | 1 | 4 | 4.3 | CCO[C@@H](CC(=O)O)c1ccc(OC2CCc3c(OC)cccc32)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604064 | 122672 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 356 | 8 | 1 | 4 | 4.3 | CCO[C@@H](CC(=O)O)c1ccc(OC2CCc3c(OC)cccc32)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 58218571 | 157456 | 0 | None | 17 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 325 | 6 | 1 | 3 | 4.0 | Cc1ccccc1COc1ccc(N2CCC[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4079421 | 157456 | 0 | None | 17 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 325 | 6 | 1 | 3 | 4.0 | Cc1ccccc1COc1ccc(N2CCC[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 90151435 | 159694 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 554 | 8 | 1 | 7 | 5.6 | CCOc1cc(N2CC[C@@H](Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4104467 | 159694 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 554 | 8 | 1 | 7 | 5.6 | CCOc1cc(N2CC[C@@H](Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1 | 10.1021/acs.jmedchem.7b00982 | ||
| 162666840 | 182430 | 0 | None | -3 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4786299 | 182430 | 0 | None | -3 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| 58172989 | 111942 | 0 | None | -3 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 389 | 6 | 1 | 4 | 5.0 | Cc1cccc(C)c1-c1cccc(COc2cc3c(cn2)C(CC(=O)O)OC3)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288360 | 111942 | 0 | None | -3 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 389 | 6 | 1 | 4 | 5.0 | Cc1cccc(C)c1-c1cccc(COc2cc3c(cn2)C(CC(=O)O)OC3)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 71613519 | 89948 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 380 | 3 | 1 | 4 | 4.5 | O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@H](c1ccc(Cl)c(Cl)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381288 | 89948 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 380 | 3 | 1 | 4 | 4.5 | O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@H](c1ccc(Cl)c(Cl)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| 71562770 | 86501 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 289 | 4 | 1 | 2 | 3.2 | N#CCc1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm301470a | ||
| CHEMBL2315529 | 86501 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 289 | 4 | 1 | 2 | 3.2 | N#CCc1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm301470a | ||
| 145965707 | 164179 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 421 | 7 | 1 | 6 | 3.7 | Cc1nc(-c2ccc(F)cc2)sc1COc1ccc(S(=O)(=O)CC(=O)O)cc1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4210871 | 164179 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 421 | 7 | 1 | 6 | 3.7 | Cc1nc(-c2ccc(F)cc2)sc1COc1ccc(S(=O)(=O)CC(=O)O)cc1 | 10.1016/j.ejmech.2017.07.001 | ||
| 71451164 | 80634 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 380 | 8 | 1 | 3 | 5.1 | COc1ccc(F)c(-c2ccc(COc3ccc(CCC(=O)O)cc3)cc2)c1 | 10.1021/ml300133f | ||
| CHEMBL2151291 | 80634 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 380 | 8 | 1 | 3 | 5.1 | COc1ccc(F)c(-c2ccc(COc3ccc(CCC(=O)O)cc3)cc2)c1 | 10.1021/ml300133f | ||
| 57706588 | 80641 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 476 | 9 | 1 | 3 | 7.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C(C)(C)C)c1 | 10.1021/ml300133f | ||
| CHEMBL2151298 | 80641 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 476 | 9 | 1 | 3 | 7.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C(C)(C)C)c1 | 10.1021/ml300133f | ||
| 137638269 | 156852 | 0 | None | -8 | 2 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 433 | 7 | 1 | 3 | 5.8 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4CCC[C@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4071899 | 156852 | 0 | None | -8 | 2 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 433 | 7 | 1 | 3 | 5.8 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4CCC[C@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 58218640 | 158898 | 0 | None | -15 | 2 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 323 | 5 | 1 | 2 | 4.3 | Cc1ccccc1Cc1ccc(N2CC[C@H](C)[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4095599 | 158898 | 0 | None | -15 | 2 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 323 | 5 | 1 | 2 | 4.3 | Cc1ccccc1Cc1ccc(N2CC[C@H](C)[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 1202260 | 95007 | 9 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 313 | 5 | 1 | 5 | 2.8 | O=C(O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S | 10.1021/jm7012425 | ||
| CHEMBL255071 | 95007 | 9 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 313 | 5 | 1 | 5 | 2.8 | O=C(O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S | 10.1021/jm7012425 | ||
| 25098573 | 2727 | 8 | None | -8 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 376 | 10 | 1 | 4 | 4.7 | OC(=O)CCCc1ccc(cc1)OCCN(c1ccccn1)c1ccccc1 | 10.1021/jm800970b | ||
| 5587 | 2727 | 8 | None | -8 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 376 | 10 | 1 | 4 | 4.7 | OC(=O)CCCc1ccc(cc1)OCCN(c1ccccn1)c1ccccc1 | 10.1021/jm800970b | ||
| CHEMBL463785 | 2727 | 8 | None | -8 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 376 | 10 | 1 | 4 | 4.7 | OC(=O)CCCc1ccc(cc1)OCCN(c1ccccn1)c1ccccc1 | 10.1021/jm800970b | ||
| 137633489 | 156576 | 0 | None | -9 | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 368 | 5 | 1 | 5 | 4.0 | N#Cc1cc(-c2ccc(CCC(=O)O)cc2)cc2c1cnn2-c1ccccn1 | 10.1021/acs.jmedchem.7b00210 | ||
| CHEMBL4068825 | 156576 | 0 | None | -9 | 2 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 368 | 5 | 1 | 5 | 4.0 | N#Cc1cc(-c2ccc(CCC(=O)O)cc2)cc2c1cnn2-c1ccccn1 | 10.1021/acs.jmedchem.7b00210 | ||
| 137647888 | 157694 | 0 | None | - | 1 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 369 | 4 | 1 | 4 | 4.6 | Cc1nn(-c2ccccn2)c2cc(-c3ccc([C@H]4C[C@H]4C(=O)O)cc3)ccc12 | 10.1021/acs.jmedchem.7b00210 | ||
| CHEMBL4082057 | 157694 | 0 | None | - | 1 | Mouse | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 369 | 4 | 1 | 4 | 4.6 | Cc1nn(-c2ccccn2)c2cc(-c3ccc([C@H]4C[C@H]4C(=O)O)cc3)ccc12 | 10.1021/acs.jmedchem.7b00210 | ||
| 23136477 | 58800 | 3 | None | -15 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 332 | 7 | 1 | 2 | 5.0 | O=C(O)CCc1ccc(OCc2ccccc2-c2ccccc2)cc1 | 10.1021/ml100106c | ||
| CHEMBL1688455 | 58800 | 3 | None | -15 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 332 | 7 | 1 | 2 | 5.0 | O=C(O)CCc1ccc(OCc2ccccc2-c2ccccc2)cc1 | 10.1021/ml100106c | ||
| CHEMBL4213909 | 58800 | 3 | None | -15 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 332 | 7 | 1 | 2 | 5.0 | O=C(O)CCc1ccc(OCc2ccccc2-c2ccccc2)cc1 | 10.1021/ml100106c | ||
| 127046834 | 139634 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 370 | 7 | 1 | 5 | 4.1 | Cc1noc(C)c1-c1ccnc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3797836 | 139634 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 370 | 7 | 1 | 5 | 4.1 | Cc1noc(C)c1-c1ccnc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| 90151202 | 157347 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 461 | 6 | 1 | 5 | 5.0 | C[C@@H]1C(C(F)(F)F)=NN(c2ccc(OC3CCN(c4ccccc4)CC3)cc2)[C@H]1CC(=O)O | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4078050 | 157347 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 461 | 6 | 1 | 5 | 5.0 | C[C@@H]1C(C(F)(F)F)=NN(c2ccc(OC3CCN(c4ccccc4)CC3)cc2)[C@H]1CC(=O)O | 10.1021/acs.jmedchem.7b00982 | ||
| 24825509 | 87917 | 0 | None | 29 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | O=C(O)CCc1ccc(NCc2ccc(Oc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| CHEMBL234057 | 87917 | 0 | None | 29 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | O=C(O)CCc1ccc(NCc2ccc(Oc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| 145976145 | 163789 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 412 | 8 | 1 | 5 | 3.8 | COc1ccccc1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4206179 | 163789 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 412 | 8 | 1 | 5 | 3.8 | COc1ccccc1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| 145971779 | 164448 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 378 | 7 | 1 | 3 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(SCC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4214140 | 164448 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 378 | 7 | 1 | 3 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(SCC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| 66562388 | 90345 | 0 | None | 33 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 360 | 5 | 1 | 3 | 2.8 | CS(=O)(=O)Cc1cccc(C#Cc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/ml4000673 | ||
| CHEMBL2386367 | 90345 | 0 | None | 33 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 360 | 5 | 1 | 3 | 2.8 | CS(=O)(=O)Cc1cccc(C#Cc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/ml4000673 | ||
| 60195125 | 3857 | 8 | None | 4 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 499 | 12 | 2 | 5 | 5.2 | OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm3002026 | ||
| 9149 | 3857 | 8 | None | 4 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 499 | 12 | 2 | 5 | 5.2 | OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm3002026 | ||
| CHEMBL2164242 | 3857 | 8 | None | 4 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 499 | 12 | 2 | 5 | 5.2 | OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm3002026 | ||
| 127027726 | 137803 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 463 | 10 | 1 | 6 | 5.2 | COc1cccc(O[C@@H](CCOc2ccc(CC3SC(=O)NC3=O)cc2)c2ccccc2)c1 | 10.1016/j.ejmech.2015.12.049 | ||
| CHEMBL3759866 | 137803 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 463 | 10 | 1 | 6 | 5.2 | COc1cccc(O[C@@H](CCOc2ccc(CC3SC(=O)NC3=O)cc2)c2ccccc2)c1 | 10.1016/j.ejmech.2015.12.049 | ||
| 137641343 | 157033 | 0 | None | -117 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 342 | 8 | 1 | 3 | 4.7 | Cc1ccc(OC(C)C)c(COc2ccc(CCC(=O)O)cc2C)c1 | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4074009 | 157033 | 0 | None | -117 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 342 | 8 | 1 | 3 | 4.7 | Cc1ccc(OC(C)C)c(COc2ccc(CCC(=O)O)cc2C)c1 | 10.1016/j.bmcl.2017.01.034 | ||
| 153211729 | 172876 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 405 | 9 | 2 | 4 | 5.4 | CCOc1cc(C)c(-c2cccc(CNc3ccc(OCC(=O)O)cc3)c2)c(C)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL4516052 | 172876 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 405 | 9 | 2 | 4 | 5.4 | CCOc1cc(C)c(-c2cccc(CNc3ccc(OCC(=O)O)cc3)c2)c(C)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| 57705575 | 164128 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 504 | 10 | 1 | 3 | 8.3 | CC[C@@H](CC(=O)O)c1cccc(OCc2ccc(-c3cc(OC)ccc3F)c([C@@H]3CCCC3(C)C)c2)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| CHEMBL4210239 | 164128 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 504 | 10 | 1 | 3 | 8.3 | CC[C@@H](CC(=O)O)c1cccc(OCc2ccc(-c3cc(OC)ccc3F)c([C@@H]3CCCC3(C)C)c2)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| 134465785 | 176087 | 0 | None | -15 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 426 | 9 | 1 | 3 | 6.2 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@@H](CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4591657 | 176087 | 0 | None | -15 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 426 | 9 | 1 | 3 | 6.2 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@@H](CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 54586984 | 61777 | 0 | None | 34 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 323 | 6 | 2 | 2 | 4.3 | O=C(O)CCc1ccc(NCc2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm300215x | ||
| CHEMBL1773256 | 61777 | 0 | None | 34 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 323 | 6 | 2 | 2 | 4.3 | O=C(O)CCc1ccc(NCc2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm300215x | ||
| 71562314 | 86507 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 264 | 3 | 1 | 1 | 3.7 | CC(CC(=O)O)c1ccc(C#Cc2ccccc2)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315535 | 86507 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 264 | 3 | 1 | 1 | 3.7 | CC(CC(=O)O)c1ccc(C#Cc2ccccc2)cc1 | 10.1021/jm301470a | ||
| 25149901 | 186662 | 1 | None | 61 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 250 | 3 | 1 | 1 | 3.1 | O=C(O)CCc1ccc(C#Cc2ccccc2)cc1 | 10.1021/jm2005699 | ||
| CHEMBL488384 | 186662 | 1 | None | 61 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 250 | 3 | 1 | 1 | 3.1 | O=C(O)CCc1ccc(C#Cc2ccccc2)cc1 | 10.1021/jm2005699 | ||
| 127030714 | 139061 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 254 | 3 | 1 | 1 | 3.6 | O=C(O)CCc1ccc(C#CC2=CCCCC2)cc1 | 10.1021/acs.jmedchem.5b01962 | ||
| CHEMBL3786524 | 139061 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 254 | 3 | 1 | 1 | 3.6 | O=C(O)CCc1ccc(C#CC2=CCCCC2)cc1 | 10.1021/acs.jmedchem.5b01962 | ||
| 25149901 | 186662 | 1 | None | 61 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 250 | 3 | 1 | 1 | 3.1 | O=C(O)CCc1ccc(C#Cc2ccccc2)cc1 | 10.1021/acs.jmedchem.5b01962 | ||
| CHEMBL488384 | 186662 | 1 | None | 61 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 250 | 3 | 1 | 1 | 3.1 | O=C(O)CCc1ccc(C#Cc2ccccc2)cc1 | 10.1021/acs.jmedchem.5b01962 | ||
| 25149901 | 186662 | 1 | None | 61 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 250 | 3 | 1 | 1 | 3.1 | O=C(O)CCc1ccc(C#Cc2ccccc2)cc1 | 10.1021/ml4000673 | ||
| CHEMBL488384 | 186662 | 1 | None | 61 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 250 | 3 | 1 | 1 | 3.1 | O=C(O)CCc1ccc(C#Cc2ccccc2)cc1 | 10.1021/ml4000673 | ||
| 25149901 | 186662 | 1 | None | 61 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 250 | 3 | 1 | 1 | 3.1 | O=C(O)CCc1ccc(C#Cc2ccccc2)cc1 | 10.1021/ml100106c | ||
| CHEMBL488384 | 186662 | 1 | None | 61 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 250 | 3 | 1 | 1 | 3.1 | O=C(O)CCc1ccc(C#Cc2ccccc2)cc1 | 10.1021/ml100106c | ||
| 24825494 | 88003 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 323 | 6 | 2 | 2 | 4.3 | O=C(O)CCc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| CHEMBL234468 | 88003 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 323 | 6 | 2 | 2 | 4.3 | O=C(O)CCc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| 24825493 | 149828 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 295 | 6 | 2 | 3 | 4.0 | O=C(O)CCc1ccc(NCc2ccc(Cl)s2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| CHEMBL394900 | 149828 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 295 | 6 | 2 | 3 | 4.0 | O=C(O)CCc1ccc(NCc2ccc(Cl)s2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| 137638911 | 156705 | 0 | None | -32 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 384 | 7 | 1 | 3 | 5.5 | Cc1cc(CCC(=O)O)cc(C)c1OCc1ccccc1SC(F)(F)F | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4070298 | 156705 | 0 | None | -32 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 384 | 7 | 1 | 3 | 5.5 | Cc1cc(CCC(=O)O)cc(C)c1OCc1ccccc1SC(F)(F)F | 10.1016/j.bmcl.2017.01.034 | ||
| 137638355 | 156805 | 0 | None | -97 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 318 | 6 | 1 | 2 | 4.6 | Cc1ccc(Cl)c(COc2ccc(CCC(=O)O)cc2C)c1 | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4071290 | 156805 | 0 | None | -97 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 318 | 6 | 1 | 2 | 4.6 | Cc1ccc(Cl)c(COc2ccc(CCC(=O)O)cc2C)c1 | 10.1016/j.bmcl.2017.01.034 | ||
| 137641343 | 157033 | 0 | None | -117 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 342 | 8 | 1 | 3 | 4.7 | Cc1ccc(OC(C)C)c(COc2ccc(CCC(=O)O)cc2C)c1 | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4074009 | 157033 | 0 | None | -117 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 342 | 8 | 1 | 3 | 4.7 | Cc1ccc(OC(C)C)c(COc2ccc(CCC(=O)O)cc2C)c1 | 10.1016/j.bmcl.2017.01.034 | ||
| 164626510 | 186313 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 549 | 8 | 1 | 4 | 7.1 | C[C@H](C(=O)O)[C@@H](c1ccc2c(c1)O[C@@H](C1CCN([C@@H](C)c3cc(F)ccc3OC(F)(F)F)CC1)CC2)C1CC1 | 10.1021/acs.jmedchem.1c00031 | ||
| CHEMBL4874972 | 186313 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 549 | 8 | 1 | 4 | 7.1 | C[C@H](C(=O)O)[C@@H](c1ccc2c(c1)O[C@@H](C1CCN([C@@H](C)c3cc(F)ccc3OC(F)(F)F)CC1)CC2)C1CC1 | 10.1021/acs.jmedchem.1c00031 | ||
| 134465732 | 171451 | 0 | None | -1 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 440 | 9 | 1 | 3 | 6.4 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@H](C)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4463571 | 171451 | 0 | None | -1 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 440 | 9 | 1 | 3 | 6.4 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@H](C)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 137529972 | 164739 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 556 | 8 | 3 | 8 | 5.2 | Cc1cc(-c2nnn(CC(C)(C)O)n2)cc(C)c1-c1ccc(F)c2c1CC[C@H]2Nc1ccc([C@H]2C[C@@H]2C(=O)O)nc1 | 10.1021/acsmedchemlett.8b00343 | ||
| CHEMBL4217914 | 164739 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 556 | 8 | 3 | 8 | 5.2 | Cc1cc(-c2nnn(CC(C)(C)O)n2)cc(C)c1-c1ccc(F)c2c1CC[C@H]2Nc1ccc([C@H]2C[C@@H]2C(=O)O)nc1 | 10.1021/acsmedchemlett.8b00343 | ||
| 118129999 | 157743 | 0 | None | 2 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 453 | 8 | 1 | 5 | 5.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C(C)C)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4082711 | 157743 | 0 | None | 2 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 453 | 8 | 1 | 5 | 5.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C(C)C)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 118645685 | 179844 | 0 | None | 15 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 492 | 10 | 1 | 5 | 6.4 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2CC(C)(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4745513 | 179844 | 0 | None | 15 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 492 | 10 | 1 | 5 | 6.4 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2CC(C)(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| 118645756 | 181438 | 7 | None | -1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 479 | 11 | 1 | 6 | 5.4 | COc1cc(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2CC(C)C)c(F)cn1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4764485 | 181438 | 7 | None | -1 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 479 | 11 | 1 | 6 | 5.4 | COc1cc(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2CC(C)C)c(F)cn1 | 10.1016/j.bmcl.2018.01.013 | ||
| 131986061 | 164092 | 0 | None | 6 | 2 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 518 | 7 | 1 | 5 | 7.0 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccccc4C(F)(F)F)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4209834 | 164092 | 0 | None | 6 | 2 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 518 | 7 | 1 | 5 | 7.0 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccccc4C(F)(F)F)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 155528372 | 171293 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 479 | 8 | 1 | 4 | 6.3 | COc1cc(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2F)c(F)cn1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4461095 | 171293 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 479 | 8 | 1 | 4 | 6.3 | COc1cc(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2F)c(F)cn1 | 10.1016/j.bmcl.2019.04.050 | ||
| 67087095 | 183351 | 0 | None | -6 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 570 | 9 | 1 | 4 | 7.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(c3ccccc3)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4797858 | 183351 | 0 | None | -6 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 570 | 9 | 1 | 4 | 7.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(c3ccccc3)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 134465730 | 172779 | 0 | None | -1 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 440 | 9 | 1 | 3 | 6.4 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@@H](C)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4513748 | 172779 | 0 | None | -1 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 440 | 9 | 1 | 3 | 6.4 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@@H](C)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 162674998 | 183367 | 0 | None | -5 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(F)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4798023 | 183367 | 0 | None | -5 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(F)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 118637996 | 142145 | 0 | None | 15 | 2 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL3883819 | 142145 | 0 | None | 15 | 2 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4162778 | 142145 | 0 | None | 15 | 2 | Rat | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| 164625212 | 185959 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 333 | 4 | 2 | 1 | 5.2 | O=C(O)CCc1ccc2[nH]c(-c3c(Cl)cccc3Cl)cc2c1 | 10.1021/acs.jmedchem.1c00031 | ||
| CHEMBL4869870 | 185959 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 333 | 4 | 2 | 1 | 5.2 | O=C(O)CCc1ccc2[nH]c(-c3c(Cl)cccc3Cl)cc2c1 | 10.1021/acs.jmedchem.1c00031 | ||
| 44409722 | 140991 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 5.9 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(=O)O)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL382381 | 140991 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 5.9 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(=O)O)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 118645789 | 180033 | 0 | None | 11 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 478 | 12 | 1 | 5 | 6.2 | CCCCc1nc(COc2cccc([C@@H](CC(=O)O)C3CC3)c2)cnc1-c1cc(OC)ccc1F | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4747793 | 180033 | 0 | None | 11 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 478 | 12 | 1 | 5 | 6.2 | CCCCc1nc(COc2cccc([C@@H](CC(=O)O)C3CC3)c2)cnc1-c1cc(OC)ccc1F | 10.1016/j.bmcl.2018.01.013 | ||
| 118623101 | 167565 | 0 | None | -12 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4159416 | 167565 | 0 | None | -12 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4300796 | 167565 | 0 | None | -12 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| 118642344 | 142097 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc([C@H]3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883380 | 142097 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc([C@H]3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 90356885 | 167511 | 0 | None | -16 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 462 | 7 | 1 | 5 | 5.6 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4168422 | 167511 | 0 | None | -16 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 462 | 7 | 1 | 5 | 5.6 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4300181 | 167511 | 0 | None | -16 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 462 | 7 | 1 | 5 | 5.6 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 68194127 | 183171 | 0 | None | -1 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 498 | 8 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ncc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4795763 | 183171 | 0 | None | -1 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 498 | 8 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ncc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 68194465 | 183282 | 0 | None | -3 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 511 | 8 | 1 | 4 | 6.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4797124 | 183282 | 0 | None | -3 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 511 | 8 | 1 | 4 | 6.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 51350404 | 58830 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 366 | 7 | 1 | 2 | 5.6 | O=C(O)CCc1ccc(OCc2cccc(-c3ccccc3Cl)c2)cc1 | 10.1021/jm101405t | ||
| CHEMBL1688484 | 58830 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 366 | 7 | 1 | 2 | 5.6 | O=C(O)CCc1ccc(OCc2cccc(-c3ccccc3Cl)c2)cc1 | 10.1021/jm101405t | ||
| 67072752 | 86500 | 0 | None | 5 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 289 | 4 | 1 | 2 | 3.2 | N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315528 | 86500 | 0 | None | 5 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 289 | 4 | 1 | 2 | 3.2 | N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm301470a | ||
| 66562288 | 138984 | 0 | None | 1000 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 246 | 3 | 1 | 1 | 3.2 | C/C=C(/C)C#Cc1ccc(CCC(=O)O)c(F)c1 | 10.1021/acs.jmedchem.5b01962 | ||
| CHEMBL3785637 | 138984 | 0 | None | 1000 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 246 | 3 | 1 | 1 | 3.2 | C/C=C(/C)C#Cc1ccc(CCC(=O)O)c(F)c1 | 10.1021/acs.jmedchem.5b01962 | ||
| 131986401 | 163960 | 0 | None | -1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 478 | 7 | 1 | 5 | 6.6 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4208095 | 163960 | 0 | None | -1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 478 | 7 | 1 | 5 | 6.6 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 131986050 | 164462 | 0 | None | 1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 498 | 7 | 1 | 5 | 7.0 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(Cl)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4214289 | 164462 | 0 | None | 1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 498 | 7 | 1 | 5 | 7.0 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(Cl)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 45107307 | 111944 | 4 | None | 3 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 314 | 8 | 1 | 3 | 4.1 | CCOC(CC(=O)O)c1ccc(OCc2ccccc2C)cc1 | 10.1021/ml500391n | ||
| CHEMBL3288362 | 111944 | 4 | None | 3 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 314 | 8 | 1 | 3 | 4.1 | CCOC(CC(=O)O)c1ccc(OCc2ccccc2C)cc1 | 10.1021/ml500391n | ||
| 45107307 | 111944 | 4 | None | 3 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 314 | 8 | 1 | 3 | 4.1 | CCOC(CC(=O)O)c1ccc(OCc2ccccc2C)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3288362 | 111944 | 4 | None | 3 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 314 | 8 | 1 | 3 | 4.1 | CCOC(CC(=O)O)c1ccc(OCc2ccccc2C)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 122185452 | 122675 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 395 | 7 | 1 | 4 | 4.7 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c2cccc3C(F)(F)F)nc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604067 | 122675 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 395 | 7 | 1 | 4 | 4.7 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c2cccc3C(F)(F)F)nc1 | 10.1016/j.bmc.2015.07.028 | ||
| 45107307 | 111944 | 4 | None | 3 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 314 | 8 | 1 | 3 | 4.1 | CCOC(CC(=O)O)c1ccc(OCc2ccccc2C)cc1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288362 | 111944 | 4 | None | 3 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 314 | 8 | 1 | 3 | 4.1 | CCOC(CC(=O)O)c1ccc(OCc2ccccc2C)cc1 | 10.1016/j.bmcl.2014.04.065 | ||
| 155549083 | 173644 | 0 | None | 6 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 444 | 9 | 1 | 3 | 6.1 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@@H](F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4534836 | 173644 | 0 | None | 6 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 444 | 9 | 1 | 3 | 6.1 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@@H](F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 145952952 | 162467 | 0 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 467 | 8 | 2 | 3 | 5.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4167323 | 162467 | 0 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 467 | 8 | 2 | 3 | 5.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 23082877 | 75793 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 390 | 8 | 1 | 3 | 5.6 | COc1ccc(COc2ccc(CCC(=O)O)cc2)cc1-c1c(C)cccc1C | 10.1021/jm2016123 | ||
| CHEMBL2048613 | 75793 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 390 | 8 | 1 | 3 | 5.6 | COc1ccc(COc2ccc(CCC(=O)O)cc2)cc1-c1c(C)cccc1C | 10.1021/jm2016123 | ||
| 162668378 | 182483 | 0 | None | -4 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 559 | 8 | 1 | 3 | 7.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4787010 | 182483 | 0 | None | -4 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 559 | 8 | 1 | 3 | 7.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 131986065 | 163829 | 0 | None | 4 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 465 | 7 | 1 | 6 | 5.7 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4cccnc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4206579 | 163829 | 0 | None | 4 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 465 | 7 | 1 | 6 | 5.7 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4cccnc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 131986050 | 164462 | 0 | None | -1 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 498 | 7 | 1 | 5 | 7.0 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(Cl)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4214289 | 164462 | 0 | None | -1 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 498 | 7 | 1 | 5 | 7.0 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(Cl)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 66562288 | 138984 | 0 | None | 1000 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 246 | 3 | 1 | 1 | 3.2 | C/C=C(/C)C#Cc1ccc(CCC(=O)O)c(F)c1 | 10.1021/acs.jmedchem.5b01962 | ||
| CHEMBL3785637 | 138984 | 0 | None | 1000 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 246 | 3 | 1 | 1 | 3.2 | C/C=C(/C)C#Cc1ccc(CCC(=O)O)c(F)c1 | 10.1021/acs.jmedchem.5b01962 | ||
| 164618830 | 185737 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 333 | 4 | 2 | 1 | 5.2 | O=C(O)CCc1ccc2[nH]c(-c3ccc(Cl)cc3Cl)cc2c1 | 10.1021/acs.jmedchem.1c00031 | ||
| CHEMBL4866406 | 185737 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 333 | 4 | 2 | 1 | 5.2 | O=C(O)CCc1ccc2[nH]c(-c3ccc(Cl)cc3Cl)cc2c1 | 10.1021/acs.jmedchem.1c00031 | ||
| 155519364 | 170353 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 476 | 8 | 1 | 5 | 5.3 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4ccc(OC)cc4F)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| CHEMBL4447826 | 170353 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 476 | 8 | 1 | 5 | 5.3 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4ccc(OC)cc4F)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| 145987796 | 167102 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 464 | 6 | 1 | 4 | 4.9 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3cc(Br)c(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4290397 | 167102 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 464 | 6 | 1 | 4 | 4.9 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3cc(Br)c(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 118645367 | 181638 | 0 | None | -5 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 516 | 10 | 1 | 5 | 7.0 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4776217 | 181638 | 0 | None | -5 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 516 | 10 | 1 | 5 | 7.0 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| 134153546 | 152557 | 0 | None | -8 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 371 | 6 | 1 | 4 | 4.4 | O=C(O)CC[C@H]1CCc2cc(-c3cc(OC4CCC4)ncc3F)ccc2O1 | 10.1021/acsmedchemlett.6b00394 | ||
| CHEMBL3971857 | 152557 | 0 | None | -8 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 371 | 6 | 1 | 4 | 4.4 | O=C(O)CC[C@H]1CCc2cc(-c3cc(OC4CCC4)ncc3F)ccc2O1 | 10.1021/acsmedchemlett.6b00394 | ||
| 137632610 | 156322 | 0 | None | 2 | 2 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 368 | 5 | 1 | 5 | 4.0 | N#Cc1nn(-c2ccccn2)c2cc(-c3ccc(CCC(=O)O)cc3)ccc12 | 10.1021/acs.jmedchem.7b00210 | ||
| CHEMBL4065890 | 156322 | 0 | None | 2 | 2 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 368 | 5 | 1 | 5 | 4.0 | N#Cc1nn(-c2ccccn2)c2cc(-c3ccc(CCC(=O)O)cc3)ccc12 | 10.1021/acs.jmedchem.7b00210 | ||
| 134139528 | 154514 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 547 | 11 | 1 | 5 | 6.2 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(OCc3ccc(F)cc3)CCO4)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| CHEMBL3921121 | 154514 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 547 | 11 | 1 | 5 | 6.2 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(OCc3ccc(F)cc3)CCO4)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| CHEMBL3990894 | 154514 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 547 | 11 | 1 | 5 | 6.2 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(OCc3ccc(F)cc3)CCO4)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| 137657027 | 159556 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 373 | 7 | 1 | 4 | 5.1 | O=C(O)CCc1ccc(OCc2cccc(-c3ccncc3Cl)c2)s1 | 10.1021/acs.jmedchem.6b01357 | ||
| CHEMBL4102878 | 159556 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 373 | 7 | 1 | 4 | 5.1 | O=C(O)CCc1ccc(OCc2cccc(-c3ccncc3Cl)c2)s1 | 10.1021/acs.jmedchem.6b01357 | ||
| 46231486 | 200321 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 313 | 4 | 1 | 4 | 3.7 | Cc1cccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)c1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL597638 | 200321 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 313 | 4 | 1 | 4 | 3.7 | Cc1cccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)c1 | 10.1016/j.bmcl.2009.10.052 | ||
| 145949924 | 162844 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 507 | 8 | 1 | 6 | 4.4 | CC#CC(CC(=O)O)c1ccc(OCc2cnc(C(=O)N3CCN(c4ccc(F)cc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4173246 | 162844 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 507 | 8 | 1 | 6 | 4.4 | CC#CC(CC(=O)O)c1ccc(OCc2cnc(C(=O)N3CCN(c4ccc(F)cc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 51349861 | 58799 | 0 | None | 77 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 348 | 8 | 1 | 3 | 5.1 | O=C(O)CCc1ccc(OCc2ccc(Oc3ccccc3)cc2)cc1 | 10.1021/ml100106c | ||
| CHEMBL1688454 | 58799 | 0 | None | 77 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 348 | 8 | 1 | 3 | 5.1 | O=C(O)CCc1ccc(OCc2ccc(Oc3ccccc3)cc2)cc1 | 10.1021/ml100106c | ||
| 44409883 | 141204 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 500 | 7 | 3 | 5 | 5.3 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(=O)NC2CCNC2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL382884 | 141204 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 500 | 7 | 3 | 5 | 5.3 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(=O)NC2CCNC2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 44409906 | 76757 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 349 | 8 | 2 | 4 | 4.6 | O=C(O)COc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL206880 | 76757 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 349 | 8 | 2 | 4 | 4.6 | O=C(O)COc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.ejmech.2019.06.087 | ||
| 57521814 | 76240 | 0 | None | -10 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 362 | 8 | 1 | 3 | 5.0 | COc1ccc(-c2ccccc2COc2ccc(CCC(=O)O)cc2)cc1 | 10.1021/jm300215x | ||
| CHEMBL2058525 | 76240 | 0 | None | -10 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 362 | 8 | 1 | 3 | 5.0 | COc1ccc(-c2ccccc2COc2ccc(CCC(=O)O)cc2)cc1 | 10.1021/jm300215x | ||
| 58319089 | 86490 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 294 | 5 | 2 | 2 | 2.6 | O=C(O)CCc1ccc(C#Cc2ccccc2CCO)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315250 | 86490 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 294 | 5 | 2 | 2 | 2.6 | O=C(O)CCc1ccc(C#Cc2ccccc2CCO)cc1 | 10.1021/jm301470a | ||
| 44409906 | 76757 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 349 | 8 | 2 | 4 | 4.6 | O=C(O)COc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL206880 | 76757 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 349 | 8 | 2 | 4 | 4.6 | O=C(O)COc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 71615469 | 89963 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 576 | 9 | 1 | 7 | 5.4 | CS(=O)(=O)CCCOc1ccc(-c2cc(F)cc(C3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c(Cl)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381303 | 89963 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 576 | 9 | 1 | 7 | 5.4 | CS(=O)(=O)CCCOc1ccc(-c2cc(F)cc(C3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c(Cl)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| 137630008 | 161007 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 561 | 12 | 1 | 5 | 6.7 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ccc(F)cc3)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4077784 | 161007 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 561 | 12 | 1 | 5 | 6.7 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ccc(F)cc3)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4116425 | 161007 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 561 | 12 | 1 | 5 | 6.7 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ccc(F)cc3)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| 46231595 | 200171 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 367 | 4 | 1 | 4 | 4.7 | O=C1NC(=O)C(Cc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL596666 | 200171 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 367 | 4 | 1 | 4 | 4.7 | O=C1NC(=O)C(Cc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 127031002 | 139062 | 0 | None | 165 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 232 | 3 | 1 | 1 | 2.8 | C/C=C/C#Cc1ccc(CCC(=O)O)c(F)c1 | 10.1021/acs.jmedchem.5b01962 | ||
| CHEMBL3786526 | 139062 | 0 | None | 165 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 232 | 3 | 1 | 1 | 2.8 | C/C=C/C#Cc1ccc(CCC(=O)O)c(F)c1 | 10.1021/acs.jmedchem.5b01962 | ||
| 10466 | 166646 | 80 | None | -12 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 272 | 15 | 2 | 2 | 4.5 | O=C(O)CCCCCCCCCCCCCCCO | 10.1039/C7MD00130D | ||
| CHEMBL4281719 | 166646 | 80 | None | -12 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 272 | 15 | 2 | 2 | 4.5 | O=C(O)CCCCCCCCCCCCCCCO | 10.1039/C7MD00130D | ||
| 46231435 | 200583 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 309 | 4 | 1 | 3 | 3.8 | O=C1NC(=O)C(Cc2ccc(/C=C/c3ccccc3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL599271 | 200583 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 309 | 4 | 1 | 3 | 3.8 | O=C1NC(=O)C(Cc2ccc(/C=C/c3ccccc3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 45107320 | 122674 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 396 | 7 | 1 | 4 | 4.8 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2COc3c2cccc3C(F)(F)F)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604066 | 122674 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 396 | 7 | 1 | 4 | 4.8 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2COc3c2cccc3C(F)(F)F)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 23111791 | 74026 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 424 | 6 | 1 | 3 | 6.3 | Cc1ccc2ccccc2c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022252 | 74026 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 424 | 6 | 1 | 3 | 6.3 | Cc1ccc2ccccc2c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| 67087095 | 183351 | 0 | None | -6 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 570 | 9 | 1 | 4 | 7.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(c3ccccc3)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4797858 | 183351 | 0 | None | -6 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 570 | 9 | 1 | 4 | 7.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(c3ccccc3)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 131986250 | 163661 | 0 | None | 3 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 471 | 7 | 1 | 6 | 5.7 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(N4CCCCC4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4204776 | 163661 | 0 | None | 3 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 471 | 7 | 1 | 6 | 5.7 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(N4CCCCC4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 131986130 | 164401 | 0 | None | 1 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 572 | 11 | 1 | 7 | 7.0 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(Cl)c(-c4ccc(OCCOC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4213597 | 164401 | 0 | None | 1 | 2 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 572 | 11 | 1 | 7 | 7.0 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(Cl)c(-c4ccc(OCCOC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 162652399 | 180204 | 0 | None | 3 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 515 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4749949 | 180204 | 0 | None | 3 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 515 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| 71460547 | 81691 | 27 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm3002026 | ||
| CHEMBL2163923 | 81691 | 27 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm3002026 | ||
| 75511310 | 122432 | 1 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 352 | 8 | 1 | 5 | 3.9 | CCc1ccc(-c2noc(COc3ccc(CCC(=O)O)cc3)n2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3601000 | 122432 | 1 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 352 | 8 | 1 | 5 | 3.9 | CCc1ccc(-c2noc(COc3ccc(CCC(=O)O)cc3)n2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| 145973329 | 164711 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 522 | 10 | 1 | 3 | 8.5 | CC[C@H](CC(=O)O)c1cc(OCc2ccc(-c3cc(OC)ccc3F)c(C3CCCC3(C)C)c2)ccc1F | 10.1021/acsmedchemlett.8b00213 | ||
| CHEMBL4217580 | 164711 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 522 | 10 | 1 | 3 | 8.5 | CC[C@H](CC(=O)O)c1cc(OCc2ccc(-c3cc(OC)ccc3F)c(C3CCCC3(C)C)c2)ccc1F | 10.1021/acsmedchemlett.8b00213 | ||
| 137648439 | 157856 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 396 | 8 | 1 | 4 | 5.8 | COC(CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cccc3C)c2)s1 | 10.1021/acs.jmedchem.6b01357 | ||
| CHEMBL4083960 | 157856 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 396 | 8 | 1 | 4 | 5.8 | COC(CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cccc3C)c2)s1 | 10.1021/acs.jmedchem.6b01357 | ||
| 137654021 | 158768 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 404 | 7 | 1 | 3 | 6.2 | CC#CC(CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cccc3C)c2)s1 | 10.1021/acs.jmedchem.6b01357 | ||
| CHEMBL4094216 | 158768 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 404 | 7 | 1 | 3 | 6.2 | CC#CC(CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cccc3C)c2)s1 | 10.1021/acs.jmedchem.6b01357 | ||
| 58172998 | 122641 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 386 | 8 | 1 | 3 | 5.3 | CCOC(CC(=O)O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(F)c1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604034 | 122641 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 386 | 8 | 1 | 3 | 5.3 | CCOC(CC(=O)O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(F)c1 | 10.1016/j.bmc.2015.07.028 | ||
| 75204360 | 157593 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 496 | 7 | 1 | 5 | 5.1 | COc1ccc(F)c(N2CCC(Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4081072 | 157593 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 496 | 7 | 1 | 5 | 5.1 | COc1ccc(F)c(N2CCC(Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| 145982132 | 166545 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 370 | 6 | 1 | 4 | 3.6 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(F)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4279826 | 166545 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 370 | 6 | 1 | 4 | 3.6 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(F)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 145993162 | 166957 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 430 | 6 | 1 | 4 | 4.3 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(Br)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4287731 | 166957 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 430 | 6 | 1 | 4 | 4.3 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(Br)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 145988796 | 167275 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 404 | 6 | 1 | 4 | 4.3 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3cc(F)c(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4293798 | 167275 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 404 | 6 | 1 | 4 | 4.3 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3cc(F)c(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 132606863 | 157799 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4083365 | 157799 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 90644287 | 111927 | 0 | None | -2 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 361 | 7 | 1 | 3 | 5.0 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)nc2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288345 | 111927 | 0 | None | -2 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 361 | 7 | 1 | 3 | 5.0 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)nc2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 71449363 | 80645 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 518 | 9 | 1 | 3 | 8.5 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CCCCC4)c3)cc2C(C)(C)C)c1 | 10.1021/ml300133f | ||
| CHEMBL2151301 | 80645 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 518 | 9 | 1 | 3 | 8.5 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CCCCC4)c3)cc2C(C)(C)C)c1 | 10.1021/ml300133f | ||
| 25261467 | 80766 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 504 | 8 | 1 | 3 | 7.5 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C(F)(F)F)c3)cc2C(C)(C)C)c1 | 10.1021/ml300133f | ||
| CHEMBL2152068 | 80766 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 504 | 8 | 1 | 3 | 7.5 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C(F)(F)F)c3)cc2C(C)(C)C)c1 | 10.1021/ml300133f | ||
| 168273292 | 190509 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 409 | 7 | 1 | 5 | 5.1 | O=C(O)COc1ccc(COc2cccc(-c3nc4ccccc4s3)c2)cc1F | 10.1016/j.ejmech.2021.114061 | ||
| CHEMBL5179638 | 190509 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 409 | 7 | 1 | 5 | 5.1 | O=C(O)COc1ccc(COc2cccc(-c3nc4ccccc4s3)c2)cc1F | 10.1016/j.ejmech.2021.114061 | ||
| 122185441 | 122658 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 315 | 8 | 1 | 4 | 3.5 | CCOC(CC(=O)O)c1ccc(OCc2cccnc2C)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604050 | 122658 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 315 | 8 | 1 | 4 | 3.5 | CCOC(CC(=O)O)c1ccc(OCc2cccnc2C)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 137637488 | 155893 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 365 | 5 | 1 | 3 | 4.5 | O=C(O)C1CCN(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4060859 | 155893 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 365 | 5 | 1 | 3 | 4.5 | O=C(O)C1CCN(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1 | 10.1021/acs.jmedchem.6b01559 | ||
| 134155480 | 151227 | 0 | None | -38 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 384 | 5 | 1 | 3 | 5.0 | O=C(O)CC[C@H]1CCc2cc(-c3cc(OC(F)(F)F)ccc3F)ccc2O1 | 10.1021/acsmedchemlett.6b00394 | ||
| CHEMBL3960231 | 151227 | 0 | None | -38 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 384 | 5 | 1 | 3 | 5.0 | O=C(O)CC[C@H]1CCc2cc(-c3cc(OC(F)(F)F)ccc3F)ccc2O1 | 10.1021/acsmedchemlett.6b00394 | ||
| 145989566 | 167132 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 377 | 6 | 1 | 5 | 3.4 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(C#N)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4290886 | 167132 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 377 | 6 | 1 | 5 | 3.4 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(C#N)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 137651638 | 157197 | 0 | None | -7 | 2 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 371 | 6 | 1 | 4 | 4.8 | Cc1nn(-c2ccccn2)c2cc(-c3ccc(CCCC(=O)O)cc3)ccc12 | 10.1021/acs.jmedchem.7b00210 | ||
| CHEMBL4076190 | 157197 | 0 | None | -7 | 2 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 371 | 6 | 1 | 4 | 4.8 | Cc1nn(-c2ccccn2)c2cc(-c3ccc(CCCC(=O)O)cc3)ccc12 | 10.1021/acs.jmedchem.7b00210 | ||
| 90644297 | 111937 | 0 | None | -32 | 2 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 375 | 7 | 1 | 3 | 5.2 | Cc1cccc(C)c1-c1cccc(COc2ccc(CC(C)C(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288355 | 111937 | 0 | None | -32 | 2 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 375 | 7 | 1 | 3 | 5.2 | Cc1cccc(C)c1-c1cccc(COc2ccc(CC(C)C(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 25109512 | 189740 | 0 | None | -12 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 382 | 10 | 1 | 5 | 4.8 | O=C(O)CCCc1ccc(OCCN(c2ccccc2)c2nccs2)cc1 | 10.1021/jm800970b | ||
| CHEMBL515995 | 189740 | 0 | None | -12 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 382 | 10 | 1 | 5 | 4.8 | O=C(O)CCCc1ccc(OCCN(c2ccccc2)c2nccs2)cc1 | 10.1021/jm800970b | ||
| 127025866 | 137688 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 393 | 7 | 1 | 6 | 3.7 | C=CCn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc21 | 10.1016/j.ejmech.2015.12.049 | ||
| CHEMBL3758885 | 137688 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 393 | 7 | 1 | 6 | 3.7 | C=CCn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc21 | 10.1016/j.ejmech.2015.12.049 | ||
| 145956069 | 162673 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 502 | 8 | 1 | 5 | 5.2 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(C)cc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4170517 | 162673 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 502 | 8 | 1 | 5 | 5.2 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(C)cc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 145989900 | 166999 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 360 | 7 | 1 | 4 | 3.6 | COc1ccc2c(c1)OC(COc1ccc(CCC(=O)O)c(F)c1)CC2 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4288499 | 166999 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 360 | 7 | 1 | 4 | 3.6 | COc1ccc2c(c1)OC(COc1ccc(CCC(=O)O)c(F)c1)CC2 | 10.1016/j.bmc.2018.10.019 | ||
| 86803188 | 122478 | 1 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 356 | 7 | 1 | 5 | 3.8 | Cc1cc(-c2noc(COc3ccc(CCC(=O)O)cc3)n2)ccc1F | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3601050 | 122478 | 1 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 356 | 7 | 1 | 5 | 3.8 | Cc1cc(-c2noc(COc3ccc(CCC(=O)O)cc3)n2)ccc1F | 10.1016/j.bmcl.2015.06.018 | ||
| 131986164 | 164595 | 0 | None | -1 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 478 | 7 | 1 | 5 | 6.6 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(C)c3scc(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4216016 | 164595 | 0 | None | -1 | 2 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 478 | 7 | 1 | 5 | 6.6 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(C)c3scc(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 145966699 | 164250 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 435 | 7 | 1 | 6 | 4.0 | Cc1noc(C)c1-c1cc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)ccc1Cl | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4211760 | 164250 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 435 | 7 | 1 | 6 | 4.0 | Cc1noc(C)c1-c1cc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)ccc1Cl | 10.1016/j.ejmech.2017.07.001 | ||
| 145972079 | 164542 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 417 | 7 | 1 | 6 | 3.9 | Cc1cccc(-c2nc(C)c(COc3ccc(S(=O)(=O)CC(=O)O)cc3)s2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4215289 | 164542 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 417 | 7 | 1 | 6 | 3.9 | Cc1cccc(-c2nc(C)c(COc3ccc(S(=O)(=O)CC(=O)O)cc3)s2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| 145960453 | 161468 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 433 | 9 | 1 | 5 | 4.8 | O=C1NC(=O)C(Cc2ccc(OCCOC(c3ccccc3)c3ccccc3)cc2)S1 | 10.1016/j.bmcl.2018.03.051 | ||
| CHEMBL4127972 | 161468 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 433 | 9 | 1 | 5 | 4.8 | O=C1NC(=O)C(Cc2ccc(OCCOC(c3ccccc3)c3ccccc3)cc2)S1 | 10.1016/j.bmcl.2018.03.051 | ||
| 71655225 | 90334 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 251 | 3 | 1 | 2 | 2.5 | O=C(O)CCc1ccc(C#Cc2ccccc2)cn1 | 10.1021/ml4000673 | ||
| CHEMBL2386356 | 90334 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 251 | 3 | 1 | 2 | 2.5 | O=C(O)CCc1ccc(C#Cc2ccccc2)cn1 | 10.1021/ml4000673 | ||
| 54586010 | 61768 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 255 | 6 | 2 | 2 | 3.3 | O=C(O)CCc1ccc(CNc2ccccc2)cc1 | 10.1021/ml100106c | ||
| CHEMBL1773247 | 61768 | 0 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 255 | 6 | 2 | 2 | 3.3 | O=C(O)CCc1ccc(CNc2ccccc2)cc1 | 10.1021/ml100106c | ||
| 127045888 | 139643 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 393 | 6 | 1 | 4 | 4.4 | Cc1noc(C)c1C#Cc1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3797889 | 139643 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 393 | 6 | 1 | 4 | 4.4 | Cc1noc(C)c1C#Cc1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| 118145019 | 173632 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 464 | 8 | 1 | 3 | 6.7 | COc1ccc(F)c(-c2cc(F)c3c(c2)CC[C@H]3Oc2cccc([C@@H](CC(=O)O)C3CC3)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4534543 | 173632 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 464 | 8 | 1 | 3 | 6.7 | COc1ccc(F)c(-c2cc(F)c3c(c2)CC[C@H]3Oc2cccc([C@@H](CC(=O)O)C3CC3)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 145976702 | 163930 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.7 | Cc1ccc(OCc2nnc(C(=O)Nc3ccc(CCC(=O)O)cc3)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| CHEMBL4207755 | 163930 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.7 | Cc1ccc(OCc2nnc(C(=O)Nc3ccc(CCC(=O)O)cc3)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| 137638911 | 156705 | 0 | None | -32 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 384 | 7 | 1 | 3 | 5.5 | Cc1cc(CCC(=O)O)cc(C)c1OCc1ccccc1SC(F)(F)F | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4070298 | 156705 | 0 | None | -32 | 2 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 384 | 7 | 1 | 3 | 5.5 | Cc1cc(CCC(=O)O)cc(C)c1OCc1ccccc1SC(F)(F)F | 10.1016/j.bmcl.2017.01.034 | ||
| 46231716 | 201657 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 382 | 4 | 1 | 5 | 4.1 | Cc1cc(C(F)(F)F)cc(Oc2ccc(CC3SC(=O)NC3=O)cc2)n1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL606207 | 201657 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 382 | 4 | 1 | 5 | 4.1 | Cc1cc(C(F)(F)F)cc(Oc2ccc(CC3SC(=O)NC3=O)cc2)n1 | 10.1016/j.bmcl.2009.10.052 | ||
| 24825484 | 87962 | 0 | None | 208 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 331 | 7 | 2 | 2 | 5.0 | O=C(O)CCc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 | 10.1021/jm300215x | ||
| CHEMBL234269 | 87962 | 0 | None | 208 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 331 | 7 | 2 | 2 | 5.0 | O=C(O)CCc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 | 10.1021/jm300215x | ||
| 58319118 | 86524 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 280 | 4 | 1 | 2 | 3.1 | COc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315552 | 86524 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 280 | 4 | 1 | 2 | 3.1 | COc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm301470a | ||
| 71613517 | 89946 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 346 | 3 | 1 | 4 | 3.8 | O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@H](c1cccc(Cl)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381286 | 89946 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 346 | 3 | 1 | 4 | 3.8 | O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@H](c1cccc(Cl)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| 154005 | 163257 | 5 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 366 | 6 | 1 | 5 | 3.6 | O=C1NC(=O)C(Cc2ccc(OCCn3ccc4ccccc43)cc2)S1 | 10.1016/j.bmcl.2018.03.051 | ||
| CHEMBL418695 | 163257 | 5 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 366 | 6 | 1 | 5 | 3.6 | O=C1NC(=O)C(Cc2ccc(OCCn3ccc4ccccc43)cc2)S1 | 10.1016/j.bmcl.2018.03.051 | ||
| 90655863 | 111226 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 516 | 7 | 1 | 5 | 6.5 | COc1cc(-c2ccc(COc3cc4c(cn3)CC[C@]43C[C@H]3C(=O)O)cc2[C@@H]2CCCC2(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| CHEMBL3265148 | 111226 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 516 | 7 | 1 | 5 | 6.5 | COc1cc(-c2ccc(COc3cc4c(cn3)CC[C@]43C[C@H]3C(=O)O)cc2[C@@H]2CCCC2(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| 57414405 | 75588 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 536 | 8 | 1 | 6 | 5.5 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047155 | 75588 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 536 | 8 | 1 | 6 | 5.5 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 23111781 | 74021 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 388 | 6 | 1 | 3 | 5.5 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| CHEMBL2022247 | 74021 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 388 | 6 | 1 | 3 | 5.5 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| 134465730 | 172779 | 0 | None | -1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 440 | 9 | 1 | 3 | 6.4 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@@H](C)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4513748 | 172779 | 0 | None | -1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 440 | 9 | 1 | 3 | 6.4 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@@H](C)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 11674915 | 58832 | 1 | None | 1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 360 | 7 | 1 | 2 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm2016123 | ||
| CHEMBL1688486 | 58832 | 1 | None | 1 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 360 | 7 | 1 | 2 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm2016123 | ||
| 68194476 | 182863 | 0 | None | -6 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 481 | 8 | 1 | 4 | 6.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)o2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4792075 | 182863 | 0 | None | -6 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 481 | 8 | 1 | 4 | 6.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)o2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 134131511 | 142133 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 546 | 9 | 1 | 4 | 8.3 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2[C@H](OC)C(C)(C)C)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883627 | 142133 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 546 | 9 | 1 | 4 | 8.3 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2[C@H](OC)C(C)(C)C)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 71655227 | 90340 | 0 | None | 173 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 282 | 3 | 1 | 1 | 3.6 | Cc1cccc(C#Cc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/ml4000673 | ||
| CHEMBL2386362 | 90340 | 0 | None | 173 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 282 | 3 | 1 | 1 | 3.6 | Cc1cccc(C#Cc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/ml4000673 | ||
| 155548258 | 173742 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 399 | 7 | 2 | 3 | 5.5 | Cc1ccc(-c2cccc(CNc3ccc(OCC(=O)O)c(F)c3)c2)c(Cl)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL4537190 | 173742 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 399 | 7 | 2 | 3 | 5.5 | Cc1ccc(-c2cccc(CNc3ccc(OCC(=O)O)c(F)c3)c2)c(Cl)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| 127047528 | 139744 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 399 | 8 | 1 | 5 | 4.7 | COc1ccc(COc2ccc(CCC(=O)O)c(F)c2)cc1-c1c(C)noc1C | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3798575 | 139744 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 399 | 8 | 1 | 5 | 4.7 | COc1ccc(COc2ccc(CCC(=O)O)c(F)c2)cc1-c1c(C)noc1C | 10.1016/j.ejmech.2016.03.054 | ||
| 168269875 | 189994 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 410 | 9 | 1 | 4 | 5.2 | CCOc1ccc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL5171641 | 189994 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 410 | 9 | 1 | 4 | 5.2 | CCOc1ccc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| 155511380 | 169532 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 496 | 7 | 1 | 4 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4ccc(C(F)(F)F)cc4)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| CHEMBL4435633 | 169532 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 496 | 7 | 1 | 4 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4ccc(C(F)(F)F)cc4)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| 155526126 | 171025 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 429 | 7 | 1 | 5 | 4.5 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4cccnc4)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| CHEMBL4456918 | 171025 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 429 | 7 | 1 | 5 | 4.5 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4cccnc4)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| 137633101 | 156554 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 380 | 6 | 1 | 4 | 4.4 | O=C(O)C[C@@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cn1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4068606 | 156554 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 380 | 6 | 1 | 4 | 4.4 | O=C(O)C[C@@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cn1 | 10.1021/acs.jmedchem.6b01559 | ||
| 137638269 | 156852 | 0 | None | 8 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 433 | 7 | 1 | 3 | 5.8 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4CCC[C@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4071899 | 156852 | 0 | None | 8 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 433 | 7 | 1 | 3 | 5.8 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4CCC[C@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 90151625 | 157703 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 523 | 8 | 1 | 6 | 5.5 | CCOc1ccc(F)c(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4082133 | 157703 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 523 | 8 | 1 | 6 | 5.5 | CCOc1ccc(F)c(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| 155551422 | 173943 | 0 | None | -15 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 454 | 9 | 1 | 3 | 6.8 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)C(C)(C)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4541658 | 173943 | 0 | None | -15 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 454 | 9 | 1 | 3 | 6.8 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)C(C)(C)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 57706720 | 80640 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 478 | 9 | 1 | 3 | 7.6 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C(C)C)c3)cc2C(C)(C)C)c1 | 10.1021/ml300133f | ||
| CHEMBL2151297 | 80640 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 478 | 9 | 1 | 3 | 7.6 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C(C)C)c3)cc2C(C)(C)C)c1 | 10.1021/ml300133f | ||
| 16738034 | 85737 | 0 | None | - | 1 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 326 | 9 | 1 | 2 | 5.1 | CCC(CC)COc1ccc(C(CC(=O)O)c2ccccc2)cc1 | 10.1021/jm070130j | ||
| CHEMBL229225 | 85737 | 0 | None | - | 1 | Mouse | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 326 | 9 | 1 | 2 | 5.1 | CCC(CC)COc1ccc(C(CC(=O)O)c2ccccc2)cc1 | 10.1021/jm070130j | ||
| 1050 | 1889 | 94 | None | -1 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/jm0614782 | ||
| 11595431 | 1889 | 94 | None | -1 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/jm0614782 | ||
| CHEMBL207881 | 1889 | 94 | None | -1 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/jm0614782 | ||
| 134155847 | 151078 | 0 | None | -63 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 418 | 5 | 1 | 3 | 5.6 | O=C(O)CC[C@H]1CCc2cc(-c3cc(OC(F)(F)F)cc(Cl)c3F)ccc2O1 | 10.1021/acsmedchemlett.6b00394 | ||
| CHEMBL3959144 | 151078 | 0 | None | -63 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 418 | 5 | 1 | 3 | 5.6 | O=C(O)CC[C@H]1CCc2cc(-c3cc(OC(F)(F)F)cc(Cl)c3F)ccc2O1 | 10.1021/acsmedchemlett.6b00394 | ||
| 145985116 | 165872 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 519 | 7 | 1 | 4 | 6.1 | O=C(O)C[C@@H]1COc2cc(OCc3cccc(-c4cccc5c4CCN(C(=O)c4ccccc4)C5)c3)ccc21 | 10.1016/j.bmcl.2018.07.048 | ||
| CHEMBL4249862 | 165872 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 519 | 7 | 1 | 4 | 6.1 | O=C(O)C[C@@H]1COc2cc(OCc3cccc(-c4cccc5c4CCN(C(=O)c4ccccc4)C5)c3)ccc21 | 10.1016/j.bmcl.2018.07.048 | ||
| 46231484 | 200292 | 3 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 283 | 3 | 1 | 3 | 3.2 | O=C1NC(=O)C(Cc2ccc(-c3ccccc3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL597435 | 200292 | 3 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 283 | 3 | 1 | 3 | 3.2 | O=C1NC(=O)C(Cc2ccc(-c3ccccc3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 71562527 | 86526 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 334 | 4 | 1 | 2 | 4.0 | O=C(O)CCc1ccc(C#Cc2ccccc2OC(F)(F)F)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315554 | 86526 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 334 | 4 | 1 | 2 | 4.0 | O=C(O)CCc1ccc(C#Cc2ccccc2OC(F)(F)F)cc1 | 10.1021/jm301470a | ||
| 1050 | 1889 | 94 | None | -1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/jm0614782 | ||
| 11595431 | 1889 | 94 | None | -1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/jm0614782 | ||
| CHEMBL207881 | 1889 | 94 | None | -1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/jm0614782 | ||
| 53248848 | 62138 | 0 | None | 2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 455 | 6 | 1 | 5 | 4.8 | CC#CC(c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)C1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777876 | 62138 | 0 | None | 2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 455 | 6 | 1 | 5 | 4.8 | CC#CC(c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)C1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| 145992642 | 166871 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 410 | 6 | 1 | 4 | 3.8 | O=C(O)CCc1ccc(OCC2COc3ccc(Br)cc3O2)cc1F | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4286165 | 166871 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 410 | 6 | 1 | 4 | 3.8 | O=C(O)CCc1ccc(OCC2COc3ccc(Br)cc3O2)cc1F | 10.1016/j.bmc.2018.10.019 | ||
| 149378333 | 171859 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 370 | 7 | 2 | 5 | 4.2 | Cc1noc(C)c1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL4469534 | 171859 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 370 | 7 | 2 | 5 | 4.2 | Cc1noc(C)c1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| 1201222 | 155103 | 9 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 325 | 5 | 1 | 4 | 2.9 | O=C(O)CCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S | 10.1021/jm7012425 | ||
| CHEMBL402054 | 155103 | 9 | None | - | 1 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 325 | 5 | 1 | 4 | 2.9 | O=C(O)CCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S | 10.1021/jm7012425 | ||
| 46231651 | 199396 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 368 | 4 | 1 | 5 | 3.8 | O=C1NC(=O)C(Cc2ccc(Oc3ncccc3C(F)(F)F)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL591214 | 199396 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 368 | 4 | 1 | 5 | 3.8 | O=C1NC(=O)C(Cc2ccc(Oc3ncccc3C(F)(F)F)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 71562313 | 86506 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 262 | 2 | 1 | 1 | 3.5 | Cc1ccccc1C#Cc1ccc(/C=C/C(=O)O)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315534 | 86506 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 262 | 2 | 1 | 1 | 3.5 | Cc1ccccc1C#Cc1ccc(/C=C/C(=O)O)cc1 | 10.1021/jm301470a | ||
| 131986057 | 163631 | 0 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 482 | 7 | 1 | 5 | 6.5 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(F)c3scc(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4204345 | 163631 | 0 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 482 | 7 | 1 | 5 | 6.5 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(F)c3scc(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 23111704 | 74018 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 400 | 6 | 1 | 2 | 6.4 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCCC3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| CHEMBL2022244 | 74018 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 400 | 6 | 1 | 2 | 6.4 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCCC3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| 58172961 | 122652 | 2 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 392 | 10 | 1 | 4 | 5.6 | CCOC(CC(=O)O)c1ccc(OCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604044 | 122652 | 2 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 392 | 10 | 1 | 4 | 5.6 | CCOC(CC(=O)O)c1ccc(OCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 11236925 | 75799 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 478 | 9 | 1 | 4 | 6.3 | Cc1cc(OC2CCOCC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048619 | 75799 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 478 | 9 | 1 | 4 | 6.3 | Cc1cc(OC2CCOCC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| 12002202 | 75805 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 525 | 9 | 2 | 5 | 5.7 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048626 | 75805 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 525 | 9 | 2 | 5 | 5.7 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| 67087160 | 182320 | 0 | None | -6 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 538 | 9 | 1 | 5 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(OC)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4784555 | 182320 | 0 | None | -6 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 538 | 9 | 1 | 5 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(OC)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 162673875 | 182962 | 0 | None | -13 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 505 | 8 | 1 | 3 | 6.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4793371 | 182962 | 0 | None | -13 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 505 | 8 | 1 | 3 | 6.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 145952952 | 162467 | 0 | None | -1 | 3 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 467 | 8 | 2 | 3 | 5.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4167323 | 162467 | 0 | None | -1 | 3 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 467 | 8 | 2 | 3 | 5.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 46854655 | 394 | 47 | None | -1 | 3 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1016/j.bmcl.2011.10.118 | ||
| 6485 | 394 | 47 | None | -1 | 3 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1016/j.bmcl.2011.10.118 | ||
| CHEMBL1829173 | 394 | 47 | None | -1 | 3 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1016/j.bmcl.2011.10.118 | ||
| 118637972 | 162293 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 428 | 7 | 1 | 3 | 6.4 | COc1cccc(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4164618 | 162293 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 428 | 7 | 1 | 3 | 6.4 | COc1cccc(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| 90372616 | 142208 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 530 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C(OC)C2CC2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3884609 | 142208 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 530 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C(OC)C2CC2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 60195039 | 81764 | 0 | None | 181 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 377 | 8 | 2 | 2 | 5.7 | CCc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm3002026 | ||
| CHEMBL2164240 | 81764 | 0 | None | 181 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 377 | 8 | 2 | 2 | 5.7 | CCc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm3002026 | ||
| 118645392 | 180085 | 0 | None | -2 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 494 | 12 | 1 | 6 | 5.9 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2OCC(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4748392 | 180085 | 0 | None | -2 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 494 | 12 | 1 | 6 | 5.9 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2OCC(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| 90644302 | 111943 | 0 | None | 3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 301 | 8 | 1 | 4 | 3.2 | CCOC(CC(=O)O)c1ccc(OCc2ccccc2)nc1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288361 | 111943 | 0 | None | 3 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 301 | 8 | 1 | 4 | 3.2 | CCOC(CC(=O)O)c1ccc(OCc2ccccc2)nc1 | 10.1016/j.bmcl.2014.04.065 | ||
| 71456495 | 80630 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 400 | 8 | 1 | 3 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(-c3cccc(OC)c3)cc2)cc1 | 10.1021/ml300133f | ||
| CHEMBL2151287 | 80630 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 400 | 8 | 1 | 3 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(-c3cccc(OC)c3)cc2)cc1 | 10.1021/ml300133f | ||
| 71449362 | 80633 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 418 | 8 | 1 | 3 | 5.7 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(-c3cc(OC)ccc3F)cc2)cc1 | 10.1021/ml300133f | ||
| CHEMBL2151290 | 80633 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 418 | 8 | 1 | 3 | 5.7 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(-c3cc(OC)ccc3F)cc2)cc1 | 10.1021/ml300133f | ||
| 58218655 | 156141 | 0 | None | -2 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 341 | 6 | 1 | 4 | 3.9 | CO[C@H]1C[C@@H](CC(=O)O)N(c2ccc(Oc3ccccc3C)cc2)C1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4063889 | 156141 | 0 | None | -2 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 341 | 6 | 1 | 4 | 3.9 | CO[C@H]1C[C@@H](CC(=O)O)N(c2ccc(Oc3ccccc3C)cc2)C1 | 10.1021/acs.jmedchem.6b01559 | ||
| 145955723 | 162512 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 533 | 9 | 1 | 7 | 4.8 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4167970 | 162512 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 533 | 9 | 1 | 7 | 4.8 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 127025858 | 137711 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 391 | 5 | 1 | 4 | 3.9 | O=C1NC(=O)C(Cc2ccc(OCc3ccc(Br)cc3)cc2)S1 | 10.1016/j.ejmech.2015.12.049 | ||
| CHEMBL3759133 | 137711 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 391 | 5 | 1 | 4 | 3.9 | O=C1NC(=O)C(Cc2ccc(OCc3ccc(Br)cc3)cc2)S1 | 10.1016/j.ejmech.2015.12.049 | ||
| 137635513 | 156086 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 366 | 7 | 1 | 3 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2csc(CCC(=O)O)c2)c1 | 10.1021/acs.jmedchem.6b01357 | ||
| CHEMBL4063167 | 156086 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 366 | 7 | 1 | 3 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2csc(CCC(=O)O)c2)c1 | 10.1021/acs.jmedchem.6b01357 | ||
| 164609159 | 184449 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 493 | 8 | 1 | 3 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN3CCC4(CCc5ccccc54)CC3)c2)cc1 | 10.1021/acs.jmedchem.1c00031 | ||
| CHEMBL4846948 | 184449 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 493 | 8 | 1 | 3 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN3CCC4(CCc5ccccc54)CC3)c2)cc1 | 10.1021/acs.jmedchem.1c00031 | ||
| 51049992 | 145594 | 5 | None | -23 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1016/j.bmcl.2016.10.074 | ||
| CHEMBL3915620 | 145594 | 5 | None | -23 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1016/j.bmcl.2016.10.074 | ||
| 145976748 | 163524 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 430 | 7 | 1 | 4 | 5.7 | COc1cc(C)c(-c2cccc(COc3ccc4c(c3)C(=O)CC4CC(=O)O)c2)c(C)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4202936 | 163524 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 430 | 7 | 1 | 4 | 5.7 | COc1cc(C)c(-c2cccc(COc3ccc4c(c3)C(=O)CC4CC(=O)O)c2)c(C)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| 145976172 | 163852 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 435 | 7 | 1 | 6 | 4.0 | Cc1noc(C)c1-c1ccc(Cl)c(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4206875 | 163852 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 435 | 7 | 1 | 6 | 4.0 | Cc1noc(C)c1-c1ccc(Cl)c(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| 46231922 | 201317 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 452 | 4 | 1 | 5 | 5.6 | O=C1NC(=O)C(Cc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)c3ccccc23)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL604317 | 201317 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 452 | 4 | 1 | 5 | 5.6 | O=C1NC(=O)C(Cc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)c3ccccc23)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 137628912 | 160956 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 594 | 12 | 1 | 6 | 7.1 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ccc5ccccc5n3)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4101806 | 160956 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 594 | 12 | 1 | 6 | 7.1 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ccc5ccccc5n3)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4116012 | 160956 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 594 | 12 | 1 | 6 | 7.1 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ccc5ccccc5n3)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| 46231652 | 201089 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 368 | 4 | 1 | 5 | 3.8 | O=C1NC(=O)C(Cc2ccc(Oc3cc(C(F)(F)F)ccn3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL603063 | 201089 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 368 | 4 | 1 | 5 | 3.8 | O=C1NC(=O)C(Cc2ccc(Oc3cc(C(F)(F)F)ccn3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 145991968 | 166813 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 404 | 10 | 1 | 5 | 3.6 | COCCOc1ccc2c(c1)OC(COc1ccc(CCC(=O)O)c(F)c1)CC2 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4285148 | 166813 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 404 | 10 | 1 | 5 | 3.6 | COCCOc1ccc2c(c1)OC(COc1ccc(CCC(=O)O)c(F)c1)CC2 | 10.1016/j.bmc.2018.10.019 | ||
| 46231547 | 202104 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 327 | 4 | 1 | 4 | 4.0 | Cc1ccc(C)c(Oc2ccc(CC3SC(=O)NC3=O)cc2)c1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL609034 | 202104 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 327 | 4 | 1 | 4 | 4.0 | Cc1ccc(C)c(Oc2ccc(CC3SC(=O)NC3=O)cc2)c1 | 10.1016/j.bmcl.2009.10.052 | ||
| 145986696 | 167190 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 362 | 8 | 1 | 4 | 4.1 | O=C(O)C[C@@H]1COc2cc(OCCCOc3cccc(Cl)c3)ccc21 | 10.1016/j.ejmech.2018.09.071 | ||
| CHEMBL4291932 | 167190 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 362 | 8 | 1 | 4 | 4.1 | O=C(O)C[C@@H]1COc2cc(OCCCOc3cccc(Cl)c3)ccc21 | 10.1016/j.ejmech.2018.09.071 | ||
| 131986162 | 164812 | 0 | None | 3 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 414 | 7 | 1 | 5 | 5.2 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(C4CC4)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4218822 | 164812 | 0 | None | 3 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 414 | 7 | 1 | 5 | 5.2 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(C4CC4)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 24825492 | 149518 | 0 | None | 9 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 333 | 6 | 2 | 2 | 4.1 | O=C(O)CCc1ccc(NCc2cccc(Br)c2)cc1 | 10.1021/jm300215x | ||
| CHEMBL394666 | 149518 | 0 | None | 9 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 333 | 6 | 2 | 2 | 4.1 | O=C(O)CCc1ccc(NCc2cccc(Br)c2)cc1 | 10.1021/jm300215x | ||
| 75511298 | 122479 | 2 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 338 | 7 | 1 | 5 | 3.9 | CC(Oc1ccc(CCC(=O)O)cc1)c1nc(-c2ccccc2)no1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3601051 | 122479 | 2 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 338 | 7 | 1 | 5 | 3.9 | CC(Oc1ccc(CCC(=O)O)cc1)c1nc(-c2ccccc2)no1 | 10.1016/j.bmcl.2015.06.018 | ||
| 145975621 | 163730 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 401 | 7 | 2 | 5 | 4.1 | O=C(O)CCc1ccc(NC(=O)c2nnc(Cc3ccc(Cl)cc3)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| CHEMBL4205508 | 163730 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 401 | 7 | 2 | 5 | 4.1 | O=C(O)CCc1ccc(NC(=O)c2nnc(Cc3ccc(Cl)cc3)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| 145974509 | 164725 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 401 | 7 | 2 | 5 | 4.1 | O=C(O)CCc1ccc(NC(=O)c2nnc(Cc3cccc(Cl)c3)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| CHEMBL4217742 | 164725 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 401 | 7 | 2 | 5 | 4.1 | O=C(O)CCc1ccc(NC(=O)c2nnc(Cc3cccc(Cl)c3)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| 57414401 | 75584 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 488 | 9 | 1 | 5 | 5.9 | Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047151 | 75584 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 488 | 9 | 1 | 5 | 5.9 | Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 23111693 | 74029 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 418 | 7 | 1 | 4 | 5.5 | COc1ccc(COc2ccc3c(c2)OCC3CC(=O)O)cc1-c1c(C)cccc1C | 10.1021/jm2012968 | ||
| CHEMBL2022255 | 74029 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 418 | 7 | 1 | 4 | 5.5 | COc1ccc(COc2ccc3c(c2)OCC3CC(=O)O)cc1-c1c(C)cccc1C | 10.1021/jm2012968 | ||
| 162676881 | 183561 | 0 | None | -10 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 536 | 9 | 1 | 4 | 6.6 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C(C)C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4800563 | 183561 | 0 | None | -10 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 536 | 9 | 1 | 4 | 6.6 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C(C)C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 131986115 | 164691 | 0 | None | -1 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 556 | 11 | 1 | 7 | 6.5 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(F)c(-c4ccc(OCCOC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4217348 | 164691 | 0 | None | -1 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 556 | 11 | 1 | 7 | 6.5 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(F)c(-c4ccc(OCCOC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 145947998 | 167692 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cn2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4171104 | 167692 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cn2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4302546 | 167692 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cn2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| 149144496 | 175167 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 423 | 9 | 2 | 4 | 5.6 | CCOc1cc(C)c(-c2cccc(CNc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL4570807 | 175167 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 423 | 9 | 2 | 4 | 5.6 | CCOc1cc(C)c(-c2cccc(CNc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| 127045864 | 139713 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 399 | 8 | 1 | 5 | 4.7 | COc1ccc(-c2c(C)noc2C)cc1COc1ccc(CCC(=O)O)c(F)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3798341 | 139713 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 399 | 8 | 1 | 5 | 4.7 | COc1ccc(-c2c(C)noc2C)cc1COc1ccc(CCC(=O)O)c(F)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| 127046960 | 139966 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 369 | 7 | 1 | 4 | 4.7 | Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3799946 | 139966 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 369 | 7 | 1 | 4 | 4.7 | Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL4227915 | 139966 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 369 | 7 | 1 | 4 | 4.7 | Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| 51350271 | 58810 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1cccc(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)c1 | 10.1021/jm101405t | ||
| CHEMBL1688464 | 58810 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1cccc(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)c1 | 10.1021/jm101405t | ||
| 149231065 | 175411 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 442 | 7 | 1 | 4 | 5.5 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4ccc(C)cc4)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| CHEMBL4576378 | 175411 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 442 | 7 | 1 | 4 | 5.5 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4ccc(C)cc4)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| 46231594 | 200880 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 333 | 4 | 1 | 4 | 4.0 | O=C1NC(=O)C(Cc2ccc(Oc3ccc(Cl)cc3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL601504 | 200880 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 333 | 4 | 1 | 4 | 4.0 | O=C1NC(=O)C(Cc2ccc(Oc3ccc(Cl)cc3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 57390188 | 69996 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 370 | 7 | 1 | 2 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccccc2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| CHEMBL1939652 | 69996 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 370 | 7 | 1 | 2 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccccc2-c2ccccc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| 137648780 | 157576 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 540 | 12 | 1 | 6 | 6.0 | CC#CC(CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cc(OCCCS(C)(=O)=O)cc3C)c2)s1 | 10.1021/acs.jmedchem.6b01357 | ||
| CHEMBL4080911 | 157576 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 540 | 12 | 1 | 6 | 6.0 | CC#CC(CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cc(OCCCS(C)(=O)=O)cc3C)c2)s1 | 10.1021/acs.jmedchem.6b01357 | ||
| 5353640 | 161467 | 15 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CCCCC/C=C/C/C=C/C/C=C/CCCCC(=O)O | 10.1016/j.bmcl.2018.03.051 | ||
| CHEMBL4127920 | 161467 | 15 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CCCCC/C=C/C/C=C/C/C=C/CCCCC(=O)O | 10.1016/j.bmcl.2018.03.051 | ||
| 132606864 | 157722 | 0 | None | 2 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@@H](C(F)(F)F)C[C@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4082395 | 157722 | 0 | None | 2 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@@H](C(F)(F)F)C[C@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 137635715 | 156052 | 0 | None | -9 | 2 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 311 | 5 | 1 | 3 | 4.2 | Cc1cccc(Oc2ccc(N3CCC[C@H]3CC(=O)O)cc2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4062765 | 156052 | 0 | None | -9 | 2 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 311 | 5 | 1 | 3 | 4.2 | Cc1cccc(Oc2ccc(N3CCC[C@H]3CC(=O)O)cc2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 132606864 | 157722 | 0 | None | -2 | 2 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@@H](C(F)(F)F)C[C@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4082395 | 157722 | 0 | None | -2 | 2 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@@H](C(F)(F)F)C[C@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 137652992 | 158625 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 366 | 7 | 1 | 3 | 5.6 | Cc1cccc(C)c1-c1cccc(OCc2ccc(CCC(=O)O)s2)c1 | 10.1021/acs.jmedchem.6b01357 | ||
| CHEMBL4092577 | 158625 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 366 | 7 | 1 | 3 | 5.6 | Cc1cccc(C)c1-c1cccc(OCc2ccc(CCC(=O)O)s2)c1 | 10.1021/acs.jmedchem.6b01357 | ||
| 90356885 | 167511 | 0 | None | -16 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 462 | 7 | 1 | 5 | 5.6 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4168422 | 167511 | 0 | None | -16 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 462 | 7 | 1 | 5 | 5.6 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4300181 | 167511 | 0 | None | -16 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 462 | 7 | 1 | 5 | 5.6 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 145976979 | 163974 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 413 | 9 | 2 | 7 | 3.4 | COc1ccc(OCc2nnc(C(=O)Nc3ccc(CCC(=O)O)cc3)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| CHEMBL4208272 | 163974 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 413 | 9 | 2 | 7 | 3.4 | COc1ccc(OCc2nnc(C(=O)Nc3ccc(CCC(=O)O)cc3)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| 145985686 | 165406 | 0 | None | -354 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 358 | 7 | 1 | 3 | 4.2 | COc1cc(F)c(F)c(-c2cc(F)c(OCCCC(=O)O)c(F)c2)c1 | 10.1016/j.bmcl.2018.06.047 | ||
| CHEMBL4238809 | 165406 | 0 | None | -354 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 358 | 7 | 1 | 3 | 4.2 | COc1cc(F)c(F)c(-c2cc(F)c(OCCCC(=O)O)c(F)c2)c1 | 10.1016/j.bmcl.2018.06.047 | ||
| 54580627 | 62137 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 394 | 4 | 1 | 2 | 5.5 | CC#C[C@]1(c2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2)C[C@H]1C(=O)O | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777875 | 62137 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 394 | 4 | 1 | 2 | 5.5 | CC#C[C@]1(c2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2)C[C@H]1C(=O)O | 10.1016/j.bmcl.2011.03.114 | ||
| 155528372 | 171293 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 479 | 8 | 1 | 4 | 6.3 | COc1cc(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2F)c(F)cn1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4461095 | 171293 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 479 | 8 | 1 | 4 | 6.3 | COc1cc(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2F)c(F)cn1 | 10.1016/j.bmcl.2019.04.050 | ||
| 54586983 | 61772 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 266 | 4 | 1 | 2 | 4.1 | O=C(O)CCc1ccc2oc(-c3ccccc3)cc2c1 | 10.1021/ml100106c | ||
| CHEMBL1773251 | 61772 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 266 | 4 | 1 | 2 | 4.1 | O=C(O)CCc1ccc2oc(-c3ccccc3)cc2c1 | 10.1021/ml100106c | ||
| 763016 | 95008 | 26 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 271 | 4 | 2 | 4 | 2.7 | O=C(O)c1ccc(NCc2ccc3c(c2)OCO3)cc1 | 10.1021/jm7012425 | ||
| CHEMBL255073 | 95008 | 26 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 271 | 4 | 2 | 4 | 2.7 | O=C(O)c1ccc(NCc2ccc3c(c2)OCO3)cc1 | 10.1021/jm7012425 | ||
| 145947998 | 167692 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cn2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4171104 | 167692 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cn2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4302546 | 167692 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cn2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| 54582629 | 62126 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 355 | 5 | 1 | 3 | 5.1 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)c3ccccc23)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777864 | 62126 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 355 | 5 | 1 | 3 | 5.1 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)c3ccccc23)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 118637996 | 142145 | 0 | None | -15 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL3883819 | 142145 | 0 | None | -15 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4162778 | 142145 | 0 | None | -15 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| 118637996 | 142145 | 0 | None | -15 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883819 | 142145 | 0 | None | -15 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL4162778 | 142145 | 0 | None | -15 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 21322577 | 62121 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 324 | 5 | 1 | 2 | 5.4 | CC(CC(=O)O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777859 | 62121 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 324 | 5 | 1 | 2 | 5.4 | CC(CC(=O)O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 53248848 | 62138 | 0 | None | 2 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 455 | 6 | 1 | 5 | 4.8 | CC#CC(c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)C1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777876 | 62138 | 0 | None | 2 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 455 | 6 | 1 | 5 | 4.8 | CC#CC(c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)C1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| 131986300 | 163603 | 0 | None | 2 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 528 | 8 | 1 | 6 | 7.0 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(Cl)c3scc(-c4ccc(OC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4203837 | 163603 | 0 | None | 2 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 528 | 8 | 1 | 6 | 7.0 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(Cl)c3scc(-c4ccc(OC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 57393692 | 69998 | 11 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#CC(CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| CHEMBL1939654 | 69998 | 11 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#CC(CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| 11226058 | 75801 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 514 | 12 | 1 | 5 | 5.5 | CCS(=O)(=O)CCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048622 | 75801 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 514 | 12 | 1 | 5 | 5.5 | CCS(=O)(=O)CCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| 11203294 | 75802 | 3 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 526 | 9 | 1 | 5 | 5.7 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048623 | 75802 | 3 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 526 | 9 | 1 | 5 | 5.7 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| 145950347 | 162814 | 0 | None | 1 | 3 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 506 | 8 | 1 | 5 | 5.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4172828 | 162814 | 0 | None | 1 | 3 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 506 | 8 | 1 | 5 | 5.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 11203294 | 75802 | 3 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 526 | 9 | 1 | 5 | 5.7 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.6019/CHEMBL5058642 | ||
| CHEMBL2048623 | 75802 | 3 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 526 | 9 | 1 | 5 | 5.7 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.6019/CHEMBL5058642 | ||
| 90372616 | 142208 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 530 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C(OC)C2CC2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3884609 | 142208 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 530 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C(OC)C2CC2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 127045866 | 140012 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 387 | 7 | 1 | 4 | 4.8 | Cc1noc(C)c1-c1cc(COc2ccc(CCC(=O)O)c(F)c2)ccc1F | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3800232 | 140012 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 387 | 7 | 1 | 4 | 4.8 | Cc1noc(C)c1-c1cc(COc2ccc(CCC(=O)O)c(F)c2)ccc1F | 10.1016/j.ejmech.2016.03.054 | ||
| 71460547 | 81691 | 27 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm3002026 | ||
| CHEMBL2163923 | 81691 | 27 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm3002026 | ||
| 127045865 | 139706 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 387 | 7 | 1 | 4 | 4.8 | Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1F | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3798274 | 139706 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 387 | 7 | 1 | 4 | 4.8 | Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1F | 10.1016/j.ejmech.2016.03.054 | ||
| 162671590 | 182937 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 479 | 12 | 1 | 4 | 6.5 | COc1ccc(CCCC(C)(C)C)c(N2CC(COc3cccc(C(CC(=O)O)C4CC4)c3)C2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4792979 | 182937 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 479 | 12 | 1 | 4 | 6.5 | COc1ccc(CCCC(C)(C)C)c(N2CC(COc3cccc(C(CC(=O)O)C4CC4)c3)C2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 90151466 | 156252 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 529 | 6 | 1 | 5 | 6.3 | C[C@@H]1C(C(F)(F)F)=NN(c2ccc(OC3CCN(c4cc(Cl)ccc4Cl)CC3)cc2)[C@H]1CC(=O)O | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4065150 | 156252 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 529 | 6 | 1 | 5 | 6.3 | C[C@@H]1C(C(F)(F)F)=NN(c2ccc(OC3CCN(c4cc(Cl)ccc4Cl)CC3)cc2)[C@H]1CC(=O)O | 10.1021/acs.jmedchem.7b00982 | ||
| 90644296 | 111936 | 0 | None | -29 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 379 | 7 | 1 | 3 | 4.9 | Cc1cccc(C)c1-c1cccc(COc2ccc(CC(F)C(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288354 | 111936 | 0 | None | -29 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 379 | 7 | 1 | 3 | 4.9 | Cc1cccc(C)c1-c1cccc(COc2ccc(CC(F)C(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 90644295 | 111935 | 0 | None | 3 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 375 | 7 | 1 | 3 | 5.3 | Cc1cc(CCC(=O)O)cnc1OCc1cccc(-c2c(C)cccc2C)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288353 | 111935 | 0 | None | 3 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 375 | 7 | 1 | 3 | 5.3 | Cc1cc(CCC(=O)O)cnc1OCc1cccc(-c2c(C)cccc2C)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 73777156 | 152691 | 0 | None | -18 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 396 | 4 | 1 | 4 | 4.7 | N#Cc1ccc(OC(F)(F)F)cc1N1CCC2(CCC(CC(=O)O)CC2)CC1 | 10.1021/acsmedchemlett.6b00360 | ||
| CHEMBL3973034 | 152691 | 0 | None | -18 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 396 | 4 | 1 | 4 | 4.7 | N#Cc1ccc(OC(F)(F)F)cc1N1CCC2(CCC(CC(=O)O)CC2)CC1 | 10.1021/acsmedchemlett.6b00360 | ||
| 134151115 | 152175 | 0 | None | -72 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 336 | 6 | 1 | 3 | 5.0 | O=C(O)CCc1cc2cc(-c3cccc(OC4CCC4)c3)ccc2o1 | 10.1016/j.bmcl.2016.10.054 | ||
| CHEMBL3968537 | 152175 | 0 | None | -72 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 336 | 6 | 1 | 3 | 5.0 | O=C(O)CCc1cc2cc(-c3cccc(OC4CCC4)c3)ccc2o1 | 10.1016/j.bmcl.2016.10.054 | ||
| 24825490 | 87452 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 323 | 6 | 2 | 2 | 4.6 | O=C(O)CCc1ccc(NCc2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| CHEMBL233402 | 87452 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 323 | 6 | 2 | 2 | 4.6 | O=C(O)CCc1ccc(NCc2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| 24825484 | 87962 | 0 | None | 208 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 331 | 7 | 2 | 2 | 5.0 | O=C(O)CCc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| CHEMBL234269 | 87962 | 0 | None | 208 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 331 | 7 | 2 | 2 | 5.0 | O=C(O)CCc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| 145966632 | 164137 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 437 | 7 | 1 | 6 | 4.2 | Cc1nc(-c2cccc(Cl)c2)sc1COc1ccc(S(=O)(=O)CC(=O)O)cc1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4210351 | 164137 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 437 | 7 | 1 | 6 | 4.2 | Cc1nc(-c2cccc(Cl)c2)sc1COc1ccc(S(=O)(=O)CC(=O)O)cc1 | 10.1016/j.ejmech.2017.07.001 | ||
| 54757624 | 65307 | 1 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 256 | 3 | 1 | 2 | 3.2 | O=C(O)CCc1ccc(C#Cc2cccs2)cc1 | 10.1021/jm2005699 | ||
| CHEMBL1829155 | 65307 | 1 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 256 | 3 | 1 | 2 | 3.2 | O=C(O)CCc1ccc(C#Cc2cccs2)cc1 | 10.1021/jm2005699 | ||
| 71655226 | 90335 | 0 | None | 36 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 251 | 3 | 1 | 2 | 2.5 | O=C(O)CCc1ccc(C#Cc2ccccc2)nc1 | 10.1021/ml4000673 | ||
| CHEMBL2386357 | 90335 | 0 | None | 36 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 251 | 3 | 1 | 2 | 2.5 | O=C(O)CCc1ccc(C#Cc2ccccc2)nc1 | 10.1021/ml4000673 | ||
| 118642384 | 142140 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 5.9 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883790 | 142140 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 447 | 7 | 1 | 4 | 5.9 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 145973781 | 164709 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 411 | 8 | 2 | 6 | 4.0 | Cc1ccc(OCc2nnc(C(=O)Nc3ccc(CCC(=O)O)cc3)s2)c(C)c1 | 10.1016/j.ejmech.2017.09.019 | ||
| CHEMBL4217530 | 164709 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 411 | 8 | 2 | 6 | 4.0 | Cc1ccc(OCc2nnc(C(=O)Nc3ccc(CCC(=O)O)cc3)s2)c(C)c1 | 10.1016/j.ejmech.2017.09.019 | ||
| 90151537 | 156423 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 479 | 6 | 1 | 5 | 5.1 | C[C@@H]1C(C(F)(F)F)=NN(c2ccc(OC3CCN(c4ccc(F)cc4)CC3)cc2)[C@H]1CC(=O)O | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4067111 | 156423 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 479 | 6 | 1 | 5 | 5.1 | C[C@@H]1C(C(F)(F)F)=NN(c2ccc(OC3CCN(c4ccc(F)cc4)CC3)cc2)[C@H]1CC(=O)O | 10.1021/acs.jmedchem.7b00982 | ||
| 137645353 | 161190 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 544 | 12 | 1 | 6 | 5.9 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3cccnc3)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4083311 | 161190 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 544 | 12 | 1 | 6 | 5.9 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3cccnc3)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4117885 | 161190 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 544 | 12 | 1 | 6 | 5.9 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3cccnc3)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| 118642372 | 162440 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 429 | 7 | 1 | 4 | 5.8 | COc1cc(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4166943 | 162440 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 429 | 7 | 1 | 4 | 5.8 | COc1cc(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 145965138 | 164437 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 400 | 7 | 1 | 4 | 3.9 | O=C(O)CS(=O)(=O)c1ccc(OCc2cccc(-c3ccccc3F)c2)cc1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4214028 | 164437 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 400 | 7 | 1 | 4 | 3.9 | O=C(O)CS(=O)(=O)c1ccc(OCc2cccc(-c3ccccc3F)c2)cc1 | 10.1016/j.ejmech.2017.07.001 | ||
| 75511308 | 122480 | 2 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 330 | 7 | 1 | 6 | 3.4 | O=C(O)CCc1ccc(OCc2nc(-c3cccs3)no2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3601052 | 122480 | 2 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 330 | 7 | 1 | 6 | 3.4 | O=C(O)CCc1ccc(OCc2nc(-c3cccs3)no2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| 46231781 | 200783 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 436 | 4 | 1 | 5 | 5.1 | O=C1NC(=O)C(Cc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2Cl)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL600800 | 200783 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 436 | 4 | 1 | 5 | 5.1 | O=C1NC(=O)C(Cc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2Cl)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 121294363 | 183056 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 599 | 12 | 1 | 6 | 7.0 | COc1ccc(C(=O)N(CC(C)(C)C)c2ccccn2)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4794401 | 183056 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 599 | 12 | 1 | 6 | 7.0 | COc1ccc(C(=O)N(CC(C)(C)C)c2ccccn2)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 71460547 | 81691 | 27 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm3002026 | ||
| CHEMBL2163923 | 81691 | 27 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm3002026 | ||
| 23157282 | 77191 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 465 | 12 | 2 | 4 | 6.2 | CCOCCOc1cc(C)c(-c2cccc(CNc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048628 | 77191 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 465 | 12 | 2 | 4 | 6.2 | CCOCCOc1cc(C)c(-c2cccc(CNc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| CHEMBL2079469 | 77191 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 465 | 12 | 2 | 4 | 6.2 | CCOCCOc1cc(C)c(-c2cccc(CNc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| 131986182 | 164597 | 0 | None | 3 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 538 | 11 | 1 | 7 | 6.3 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4cc(OCCOC)ccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4216026 | 164597 | 0 | None | 3 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 538 | 11 | 1 | 7 | 6.3 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4cc(OCCOC)ccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 23136411 | 58802 | 0 | None | 11 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 332 | 7 | 1 | 2 | 5.0 | O=C(O)CCc1ccc(OCc2cccc(-c3ccccc3)c2)cc1 | 10.1021/jm101405t | ||
| CHEMBL1688457 | 58802 | 0 | None | 11 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 332 | 7 | 1 | 2 | 5.0 | O=C(O)CCc1ccc(OCc2cccc(-c3ccccc3)c2)cc1 | 10.1021/jm101405t | ||
| 51349991 | 58824 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 376 | 10 | 1 | 3 | 4.9 | O=C(O)CCc1ccc(OCc2cccc(OCCc3ccccc3)c2)cc1 | 10.1021/jm101405t | ||
| CHEMBL1688478 | 58824 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 376 | 10 | 1 | 3 | 4.9 | O=C(O)CCc1ccc(OCc2cccc(OCCc3ccccc3)c2)cc1 | 10.1021/jm101405t | ||
| 44572095 | 14880 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 402 | 6 | 1 | 5 | 4.0 | Cc1cccc(C)c1-c1cccc(COc2ccc(Cn3oc(=O)[nH]c3=O)cc2)c1 | 10.1016/j.bmcl.2008.10.085 | ||
| CHEMBL1208013 | 14880 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 402 | 6 | 1 | 5 | 4.0 | Cc1cccc(C)c1-c1cccc(COc2ccc(Cn3oc(=O)[nH]c3=O)cc2)c1 | 10.1016/j.bmcl.2008.10.085 | ||
| CHEMBL475053 | 14880 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 402 | 6 | 1 | 5 | 4.0 | Cc1cccc(C)c1-c1cccc(COc2ccc(Cn3oc(=O)[nH]c3=O)cc2)c1 | 10.1016/j.bmcl.2008.10.085 | ||
| 168284831 | 191268 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 396 | 8 | 1 | 4 | 4.9 | COc1ccc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL5190883 | 191268 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 396 | 8 | 1 | 4 | 4.9 | COc1ccc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| 42603138 | 69987 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 324 | 7 | 1 | 3 | 3.9 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| CHEMBL1939643 | 69987 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 324 | 7 | 1 | 3 | 3.9 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| 137630491 | 161056 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 558 | 12 | 1 | 6 | 6.2 | Cc1cccc(OCCC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(=O)O)cc5)cc4)CC3)C2)n1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4098843 | 161056 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 558 | 12 | 1 | 6 | 6.2 | Cc1cccc(OCCC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(=O)O)cc5)cc4)CC3)C2)n1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4116766 | 161056 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 558 | 12 | 1 | 6 | 6.2 | Cc1cccc(OCCC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(=O)O)cc5)cc4)CC3)C2)n1 | 10.1016/j.ejmech.2017.01.005 | ||
| 137635715 | 156052 | 0 | None | 9 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 311 | 5 | 1 | 3 | 4.2 | Cc1cccc(Oc2ccc(N3CCC[C@H]3CC(=O)O)cc2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4062765 | 156052 | 0 | None | 9 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 311 | 5 | 1 | 3 | 4.2 | Cc1cccc(Oc2ccc(N3CCC[C@H]3CC(=O)O)cc2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 137638184 | 156732 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 365 | 6 | 1 | 3 | 4.6 | O=C(O)C[C@@H]1CCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4070619 | 156732 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 365 | 6 | 1 | 3 | 4.6 | O=C(O)C[C@@H]1CCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 145981983 | 166645 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 386 | 6 | 1 | 4 | 4.1 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@@H]2COc3ccc(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4281717 | 166645 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 386 | 6 | 1 | 4 | 4.1 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@@H]2COc3ccc(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 118737974 | 119110 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 394 | 7 | 1 | 3 | 5.3 | CCO[C@H](CC(=O)O)c1ccc(O[C@H]2CCc3c2cccc3C(F)(F)F)cc1 | 10.1021/ml500391n | ||
| CHEMBL3427715 | 119110 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 394 | 7 | 1 | 3 | 5.3 | CCO[C@H](CC(=O)O)c1ccc(O[C@H]2CCc3c2cccc3C(F)(F)F)cc1 | 10.1021/ml500391n | ||
| 137642248 | 158129 | 0 | None | 1 | 2 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 357 | 5 | 1 | 4 | 4.4 | Cc1cc(-c2ccc(CCC(=O)O)cc2)cc2c1cnn2-c1ccccn1 | 10.1021/acs.jmedchem.7b00210 | ||
| CHEMBL4087308 | 158129 | 0 | None | 1 | 2 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 357 | 5 | 1 | 4 | 4.4 | Cc1cc(-c2ccc(CCC(=O)O)cc2)cc2c1cnn2-c1ccccn1 | 10.1021/acs.jmedchem.7b00210 | ||
| 137641818 | 158183 | 0 | None | -10 | 2 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 373 | 6 | 1 | 5 | 4.1 | COc1nn(-c2ccccn2)c2cc(-c3ccc(CCC(=O)O)cc3)ccc12 | 10.1021/acs.jmedchem.7b00210 | ||
| CHEMBL4087992 | 158183 | 0 | None | -10 | 2 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 373 | 6 | 1 | 5 | 4.1 | COc1nn(-c2ccccn2)c2cc(-c3ccc(CCC(=O)O)cc3)ccc12 | 10.1021/acs.jmedchem.7b00210 | ||
| 137643731 | 158362 | 0 | None | -5 | 2 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 361 | 5 | 1 | 4 | 4.2 | O=C(O)CCc1ccc(-c2cc(F)c3cnn(-c4ccccn4)c3c2)cc1 | 10.1021/acs.jmedchem.7b00210 | ||
| CHEMBL4089919 | 158362 | 0 | None | -5 | 2 | Mouse | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 361 | 5 | 1 | 4 | 4.2 | O=C(O)CCc1ccc(-c2cc(F)c3cnn(-c4ccccn4)c3c2)cc1 | 10.1021/acs.jmedchem.7b00210 | ||
| 90151624 | 156121 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 462 | 6 | 1 | 6 | 4.3 | C[C@@H]1C(C(F)(F)F)=NN(c2ccc(OC3CCN(c4ccccn4)CC3)cc2)[C@H]1CC(=O)O | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4063627 | 156121 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 462 | 6 | 1 | 6 | 4.3 | C[C@@H]1C(C(F)(F)F)=NN(c2ccc(OC3CCN(c4ccccn4)CC3)cc2)[C@H]1CC(=O)O | 10.1021/acs.jmedchem.7b00982 | ||
| 46231714 | 200998 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 314 | 4 | 1 | 5 | 3.1 | Cc1cccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)n1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL602289 | 200998 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 314 | 4 | 1 | 5 | 3.1 | Cc1cccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)n1 | 10.1016/j.bmcl.2009.10.052 | ||
| 71562772 | 86503 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 305 | 5 | 1 | 3 | 3.0 | N#CCOc1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm301470a | ||
| CHEMBL2315531 | 86503 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 305 | 5 | 1 | 3 | 3.0 | N#CCOc1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm301470a | ||
| 51350272 | 58811 | 0 | None | 107 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1ccccc1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/ml100106c | ||
| CHEMBL1688465 | 58811 | 0 | None | 107 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1ccccc1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/ml100106c | ||
| 75511299 | 122481 | 1 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 324 | 7 | 1 | 5 | 3.3 | O=C(O)CCc1ccc(OCc2noc(-c3ccccc3)n2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3601053 | 122481 | 1 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 324 | 7 | 1 | 5 | 3.3 | O=C(O)CCc1ccc(OCc2noc(-c3ccccc3)n2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| 53248848 | 62138 | 0 | None | -2 | 2 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 455 | 6 | 1 | 5 | 4.8 | CC#CC(c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)C1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777876 | 62138 | 0 | None | -2 | 2 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 455 | 6 | 1 | 5 | 4.8 | CC#CC(c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)C1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| 75511306 | 122482 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 354 | 8 | 1 | 6 | 3.3 | COc1cccc(-c2noc(COc3ccc(CCC(=O)O)cc3)n2)c1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3601054 | 122482 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 354 | 8 | 1 | 6 | 3.3 | COc1cccc(-c2noc(COc3ccc(CCC(=O)O)cc3)n2)c1 | 10.1016/j.bmcl.2015.06.018 | ||
| 145977404 | 163823 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 401 | 7 | 1 | 6 | 3.4 | Cc1noc(C)c1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4206505 | 163823 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 401 | 7 | 1 | 6 | 3.4 | Cc1noc(C)c1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| 51350272 | 58811 | 0 | None | 107 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1ccccc1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| CHEMBL1688465 | 58811 | 0 | None | 107 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1ccccc1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b01357 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b01357 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b01357 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b01357 | ||
| 58172979 | 122640 | 2 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 367 | 8 | 2 | 3 | 5.2 | CCOC(CC(=O)O)c1ccc(NCc2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604033 | 122640 | 2 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 367 | 8 | 2 | 3 | 5.2 | CCOC(CC(=O)O)c1ccc(NCc2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 23111704 | 74018 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 400 | 6 | 1 | 2 | 6.4 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022244 | 74018 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 400 | 6 | 1 | 2 | 6.4 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| 23111781 | 74021 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 388 | 6 | 1 | 3 | 5.5 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022247 | 74021 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 388 | 6 | 1 | 3 | 5.5 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| 145968204 | 165163 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 379 | 6 | 1 | 5 | 4.5 | Cc1noc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1016/j.bmc.2017.12.030 | ||
| CHEMBL4228620 | 165163 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 379 | 6 | 1 | 5 | 4.5 | Cc1noc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1016/j.bmc.2017.12.030 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2016.03.054 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2016.03.054 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2016.03.054 | ||
| 168271964 | 190085 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 432 | 8 | 1 | 4 | 5.7 | COc1ccc2cc(-c3cccc(COc4ccc(OCC(=O)O)c(F)c4)c3)ccc2c1 | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL5173019 | 190085 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 432 | 8 | 1 | 4 | 5.7 | COc1ccc2cc(-c3cccc(COc4ccc(OCC(=O)O)c(F)c4)c3)ccc2c1 | 10.1016/j.bmc.2022.116615 | ||
| 57414403 | 75586 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 488 | 9 | 1 | 5 | 5.9 | Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047153 | 75586 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 488 | 9 | 1 | 5 | 5.9 | Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 146314264 | 182293 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 423 | 9 | 1 | 4 | 5.3 | COc1ccc(C)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4784293 | 182293 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 423 | 9 | 1 | 4 | 5.3 | COc1ccc(C)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 58218726 | 159114 | 0 | None | -3 | 2 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 393 | 5 | 1 | 3 | 5.3 | Cc1cccc(C)c1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4097951 | 159114 | 0 | None | -3 | 2 | Mouse | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 393 | 5 | 1 | 3 | 5.3 | Cc1cccc(C)c1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 23159839 | 58825 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 333 | 7 | 1 | 3 | 4.3 | O=C(O)CCc1ccc(OCc2cccc(-c3ccccn3)c2)cc1 | 10.1021/jm101405t | ||
| CHEMBL1688479 | 58825 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 333 | 7 | 1 | 3 | 4.3 | O=C(O)CCc1ccc(OCc2cccc(-c3ccccn3)c2)cc1 | 10.1021/jm101405t | ||
| 23159846 | 58827 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 339 | 7 | 1 | 4 | 4.4 | O=C(O)CCc1ccc(OCc2cccc(-c3nccs3)c2)cc1 | 10.1021/jm101405t | ||
| CHEMBL1688481 | 58827 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 339 | 7 | 1 | 4 | 4.4 | O=C(O)CCc1ccc(OCc2cccc(-c3nccs3)c2)cc1 | 10.1021/jm101405t | ||
| 57391959 | 69993 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 362 | 6 | 1 | 2 | 4.9 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| CHEMBL1939649 | 69993 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 362 | 6 | 1 | 2 | 4.9 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| 137635143 | 156230 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 406 | 7 | 1 | 3 | 6.0 | O=C(O)CCc1ccc(OCc2cccc(-c3ccccc3C(F)(F)F)c2)s1 | 10.1021/acs.jmedchem.6b01357 | ||
| CHEMBL4064922 | 156230 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 406 | 7 | 1 | 3 | 6.0 | O=C(O)CCc1ccc(OCc2cccc(-c3ccccc3C(F)(F)F)c2)s1 | 10.1021/acs.jmedchem.6b01357 | ||
| 145977043 | 163609 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 491 | 9 | 2 | 5 | 5.8 | O=C(O)CCc1ccc(NC(=O)c2nnc(CC(c3ccccc3)c3ccc(Cl)cc3)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| CHEMBL4203929 | 163609 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 491 | 9 | 2 | 5 | 5.8 | O=C(O)CCc1ccc(NC(=O)c2nnc(CC(c3ccccc3)c3ccc(Cl)cc3)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| 145979329 | 166702 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 430 | 7 | 1 | 6 | 2.9 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(S(C)(=O)=O)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4283015 | 166702 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 430 | 7 | 1 | 6 | 2.9 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(S(C)(=O)=O)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 145976136 | 163771 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 421 | 7 | 1 | 6 | 3.7 | Cc1nc(-c2cccc(F)c2)sc1COc1ccc(S(=O)(=O)CC(=O)O)cc1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4205991 | 163771 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 421 | 7 | 1 | 6 | 3.7 | Cc1nc(-c2cccc(F)c2)sc1COc1ccc(S(=O)(=O)CC(=O)O)cc1 | 10.1016/j.ejmech.2017.07.001 | ||
| 54757622 | 65305 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 300 | 3 | 1 | 3 | 2.9 | Cc1cc(C#Cc2ccc(CCC(=O)O)cc2)nc(Cl)n1 | 10.1021/jm2005699 | ||
| CHEMBL1829153 | 65305 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 300 | 3 | 1 | 3 | 2.9 | Cc1cc(C#Cc2ccc(CCC(=O)O)cc2)nc(Cl)n1 | 10.1021/jm2005699 | ||
| 145990303 | 167001 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 404 | 9 | 1 | 4 | 5.2 | O=C(O)CC1COc2cc(OCCCOc3cccc(-c4ccccc4)c3)ccc21 | 10.1016/j.ejmech.2018.09.071 | ||
| CHEMBL4288513 | 167001 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 404 | 9 | 1 | 4 | 5.2 | O=C(O)CC1COc2cc(OCCCOc3cccc(-c4ccccc4)c3)ccc21 | 10.1016/j.ejmech.2018.09.071 | ||
| 131986113 | 164801 | 0 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 590 | 7 | 1 | 5 | 6.9 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(I)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4218709 | 164801 | 0 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 590 | 7 | 1 | 5 | 6.9 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(I)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 23111668 | 74017 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 386 | 6 | 1 | 2 | 6.1 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCC3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| CHEMBL2022243 | 74017 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 386 | 6 | 1 | 2 | 6.1 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCC3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| 23111682 | 74073 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 494 | 9 | 1 | 4 | 7.1 | Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022576 | 74073 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 494 | 9 | 1 | 4 | 7.1 | Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| 23111734 | 74074 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 476 | 11 | 1 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022577 | 74074 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 476 | 11 | 1 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| 145953365 | 162437 | 0 | None | 1 | 3 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 467 | 8 | 2 | 3 | 5.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4166892 | 162437 | 0 | None | 1 | 3 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 467 | 8 | 2 | 3 | 5.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 155549083 | 173644 | 0 | None | -6 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 444 | 9 | 1 | 3 | 6.1 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@@H](F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4534836 | 173644 | 0 | None | -6 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 444 | 9 | 1 | 3 | 6.1 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@@H](F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 118645789 | 180033 | 0 | None | -11 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 478 | 12 | 1 | 5 | 6.2 | CCCCc1nc(COc2cccc([C@@H](CC(=O)O)C3CC3)c2)cnc1-c1cc(OC)ccc1F | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4747793 | 180033 | 0 | None | -11 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 478 | 12 | 1 | 5 | 6.2 | CCCCc1nc(COc2cccc([C@@H](CC(=O)O)C3CC3)c2)cnc1-c1cc(OC)ccc1F | 10.1016/j.bmcl.2018.01.013 | ||
| 1050 | 1889 | 94 | None | -1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/jm300215x | ||
| 11595431 | 1889 | 94 | None | -1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/jm300215x | ||
| CHEMBL207881 | 1889 | 94 | None | -1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/jm300215x | ||
| 131842087 | 164823 | 29 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 416 | 7 | 1 | 4 | 4.4 | O=C(O)CS(=O)(=O)c1ccc(OCc2cccc(-c3ccccc3Cl)c2)cc1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4218946 | 164823 | 29 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 416 | 7 | 1 | 4 | 4.4 | O=C(O)CS(=O)(=O)c1ccc(OCc2cccc(-c3ccccc3Cl)c2)cc1 | 10.1016/j.ejmech.2017.07.001 | ||
| 1050 | 1889 | 94 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/ml100106c | ||
| 11595431 | 1889 | 94 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/ml100106c | ||
| CHEMBL207881 | 1889 | 94 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/ml100106c | ||
| 145947987 | 167710 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 351 | 7 | 1 | 4 | 4.6 | Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1016/j.bmcl.2019.04.019 | ||
| CHEMBL4228673 | 167710 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 351 | 7 | 1 | 4 | 4.6 | Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1016/j.bmcl.2019.04.019 | ||
| CHEMBL4302779 | 167710 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 351 | 7 | 1 | 4 | 4.6 | Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1016/j.bmcl.2019.04.019 | ||
| 134136960 | 154443 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 543 | 11 | 1 | 5 | 6.3 | COc1ccc(CC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(=O)O)cc5)cc4)CC3)C2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| CHEMBL3893207 | 154443 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 543 | 11 | 1 | 5 | 6.3 | COc1ccc(CC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(=O)O)cc5)cc4)CC3)C2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| CHEMBL3990279 | 154443 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 543 | 11 | 1 | 5 | 6.3 | COc1ccc(CC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(=O)O)cc5)cc4)CC3)C2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| 90151023 | 158192 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 538 | 8 | 1 | 7 | 5.1 | CCOc1cc(N2CC[C@@H](Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(F)cn1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4088102 | 158192 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 538 | 8 | 1 | 7 | 5.1 | CCOc1cc(N2CC[C@@H](Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(F)cn1 | 10.1021/acs.jmedchem.7b00982 | ||
| 145993644 | 167305 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 410 | 8 | 1 | 5 | 4.3 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(OC(C)C)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4294274 | 167305 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 410 | 8 | 1 | 5 | 4.3 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(OC(C)C)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 132578495 | 182862 | 2 | None | -13 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4792027 | 182862 | 2 | None | -13 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 71612897 | 89954 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 552 | 9 | 1 | 7 | 5.2 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc([C@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381294 | 89954 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 552 | 9 | 1 | 7 | 5.2 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc([C@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| 54580626 | 62136 | 0 | None | -3 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 394 | 4 | 1 | 2 | 5.5 | CC#C[C@]1(c2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2)C[C@@H]1C(=O)O | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777874 | 62136 | 0 | None | -3 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 394 | 4 | 1 | 2 | 5.5 | CC#C[C@]1(c2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2)C[C@@H]1C(=O)O | 10.1016/j.bmcl.2011.03.114 | ||
| 75202601 | 158360 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 482 | 7 | 1 | 5 | 4.7 | COc1ccc(F)c(N2CCC(Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)C2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4089881 | 158360 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 482 | 7 | 1 | 5 | 4.7 | COc1ccc(F)c(N2CCC(Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)C2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| 145988554 | 167235 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 412 | 5 | 1 | 3 | 5.3 | O=C(O)C#Cc1ccc(OCc2cccc(-c3ccccc3OC(F)(F)F)c2)cc1 | 10.1016/j.ejmech.2018.08.075 | ||
| CHEMBL4292911 | 167235 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 412 | 5 | 1 | 3 | 5.3 | O=C(O)C#Cc1ccc(OCc2cccc(-c3ccccc3OC(F)(F)F)c2)cc1 | 10.1016/j.ejmech.2018.08.075 | ||
| 145987167 | 167188 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 370 | 4 | 1 | 2 | 5.3 | Cc1cc(C)c(-c2cccc(COc3ccc(C#CC(=O)O)cc3)c2)c(C)c1 | 10.1016/j.ejmech.2018.08.075 | ||
| CHEMBL4291858 | 167188 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 370 | 4 | 1 | 2 | 5.3 | Cc1cc(C)c(-c2cccc(COc3ccc(C#CC(=O)O)cc3)c2)c(C)c1 | 10.1016/j.ejmech.2018.08.075 | ||
| 145975628 | 163751 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 382 | 7 | 1 | 4 | 3.8 | O=C(O)CS(=O)(=O)c1ccc(OCc2cccc(-c3ccccc3)c2)cc1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4205774 | 163751 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 382 | 7 | 1 | 4 | 3.8 | O=C(O)CS(=O)(=O)c1ccc(OCc2cccc(-c3ccccc3)c2)cc1 | 10.1016/j.ejmech.2017.07.001 | ||
| 11316164 | 76760 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 422 | 7 | 2 | 5 | 5.2 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(OCC(=O)O)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL206881 | 76760 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 422 | 7 | 2 | 5 | 5.2 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(OCC(=O)O)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 1049 | 362 | 75 | None | 1 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1021/jm300215x | ||
| 4618 | 362 | 75 | None | 1 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1021/jm300215x | ||
| 5280934 | 362 | 75 | None | 1 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1021/jm300215x | ||
| CHEMBL8739 | 362 | 75 | None | 1 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1021/jm300215x | ||
| DB00132 | 362 | 75 | None | 1 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1021/jm300215x | ||
| 145974295 | 163001 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 518 | 9 | 1 | 6 | 4.9 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4175826 | 163001 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 518 | 9 | 1 | 6 | 4.9 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 57414678 | 75597 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 564 | 8 | 1 | 6 | 6.1 | Cc1c(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c(C)c1OC1CCS(=O)(=O)CC1 | 10.1021/jm300170m | ||
| CHEMBL2047165 | 75597 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 564 | 8 | 1 | 6 | 6.1 | Cc1c(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c(C)c1OC1CCS(=O)(=O)CC1 | 10.1021/jm300170m | ||
| 131986132 | 163835 | 0 | None | -1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 554 | 11 | 3 | 8 | 5.1 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCC(O)CO)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4206640 | 163835 | 0 | None | -1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 554 | 11 | 3 | 8 | 5.1 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCC(O)CO)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 45107318 | 119104 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 340 | 7 | 1 | 3 | 4.6 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c(C)cccc32)cc1 | 10.1021/ml500391n | ||
| CHEMBL3427709 | 119104 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 340 | 7 | 1 | 3 | 4.6 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c(C)cccc32)cc1 | 10.1021/ml500391n | ||
| 45107318 | 119104 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 340 | 7 | 1 | 3 | 4.6 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c(C)cccc32)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3427709 | 119104 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 340 | 7 | 1 | 3 | 4.6 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c(C)cccc32)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 121294254 | 180106 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 585 | 13 | 1 | 6 | 6.7 | COc1ccc(C(=O)N(CC(C)C)c2ccccn2)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4748739 | 180106 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 585 | 13 | 1 | 6 | 6.7 | COc1ccc(C(=O)N(CC(C)C)c2ccccn2)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 12002201 | 75806 | 1 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 555 | 10 | 3 | 6 | 5.1 | Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048627 | 75806 | 1 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 555 | 10 | 3 | 6 | 5.1 | Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| 23111689 | 74031 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 388 | 6 | 1 | 3 | 5.5 | Cc1ccc(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022257 | 74031 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 388 | 6 | 1 | 3 | 5.5 | Cc1ccc(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| 90372365 | 142117 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 530 | 8 | 1 | 4 | 7.4 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2OC(F)(F)F)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883504 | 142117 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 530 | 8 | 1 | 4 | 7.4 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2OC(F)(F)F)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2015.09.010 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2015.09.010 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2015.09.010 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2015.09.010 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2016.03.014 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2016.03.014 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2016.03.014 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2016.03.014 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2015.10.011 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2015.10.011 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2015.10.011 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2015.10.011 | ||
| 155552554 | 174036 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 512 | 8 | 1 | 5 | 6.1 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| CHEMBL4544058 | 174036 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 512 | 8 | 1 | 5 | 6.1 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4ccc(OC(F)(F)F)cc4)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| 57414268 | 75583 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 476 | 11 | 1 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@@H]4CC(=O)O)c2)c(C)c1 | 10.1021/jm300170m | ||
| CHEMBL2047150 | 75583 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 476 | 11 | 1 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@@H]4CC(=O)O)c2)c(C)c1 | 10.1021/jm300170m | ||
| 57414538 | 75589 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 536 | 8 | 1 | 6 | 5.5 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047156 | 75589 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 536 | 8 | 1 | 6 | 5.5 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 137646830 | 157983 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 331 | 5 | 1 | 3 | 4.6 | O=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccc(Cl)cc2)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4085420 | 157983 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 331 | 5 | 1 | 3 | 4.6 | O=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccc(Cl)cc2)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 58172957 | 111633 | 0 | None | 1 | 2 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 314 | 8 | 1 | 3 | 4.1 | CCOC(CC(=O)O)c1ccc(OCc2ccc(C)cc2)cc1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3286417 | 111633 | 0 | None | 1 | 2 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 314 | 8 | 1 | 3 | 4.1 | CCOC(CC(=O)O)c1ccc(OCc2ccc(C)cc2)cc1 | 10.1016/j.bmcl.2014.04.065 | ||
| 145986046 | 165888 | 0 | None | -19 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 437 | 10 | 1 | 6 | 4.3 | CO[C@H]1C[C@H](Oc2ccc([N+](=O)[O-])c(-c3cc(F)c(OCCCC(=O)O)c(F)c3)c2)C1 | 10.1016/j.bmcl.2018.06.047 | ||
| CHEMBL4250196 | 165888 | 0 | None | -19 | 2 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 437 | 10 | 1 | 6 | 4.3 | CO[C@H]1C[C@H](Oc2ccc([N+](=O)[O-])c(-c3cc(F)c(OCCCC(=O)O)c(F)c3)c2)C1 | 10.1016/j.bmcl.2018.06.047 | ||
| 44634024 | 65311 | 1 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 285 | 3 | 1 | 2 | 3.2 | O=C(O)CCc1ccc(C#Cc2ccnc(Cl)c2)cc1 | 10.1021/jm2005699 | ||
| CHEMBL1829159 | 65311 | 1 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 285 | 3 | 1 | 2 | 3.2 | O=C(O)CCc1ccc(C#Cc2ccnc(Cl)c2)cc1 | 10.1021/jm2005699 | ||
| 134139171 | 146238 | 0 | None | -104 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 350 | 6 | 1 | 3 | 5.4 | Cc1cc(OC2CCC2)cc(-c2ccc3oc(CCC(=O)O)cc3c2)c1 | 10.1016/j.bmcl.2016.10.054 | ||
| CHEMBL3920591 | 146238 | 0 | None | -104 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 350 | 6 | 1 | 3 | 5.4 | Cc1cc(OC2CCC2)cc(-c2ccc3oc(CCC(=O)O)cc3c2)c1 | 10.1016/j.bmcl.2016.10.054 | ||
| 134130787 | 142241 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 471 | 7 | 1 | 4 | 6.4 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C#N)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3884916 | 142241 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 471 | 7 | 1 | 4 | 6.4 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C#N)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 71257551 | 150569 | 24 | None | -14 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 475 | 9 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCCc4cccc(OC)c43)s2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL3955132 | 150569 | 24 | None | -14 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 475 | 9 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCCc4cccc(OC)c43)s2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 91801188 | 169551 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 478 | 8 | 1 | 3 | 6.9 | COc1ccc(F)c(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2F)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4435837 | 169551 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 478 | 8 | 1 | 3 | 6.9 | COc1ccc(F)c(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2F)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 155565379 | 175542 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 461 | 8 | 1 | 4 | 6.2 | COc1cc(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c(F)cn1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4579146 | 175542 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 461 | 8 | 1 | 4 | 6.2 | COc1cc(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c(F)cn1 | 10.1016/j.bmcl.2019.04.050 | ||
| 134465794 | 171054 | 0 | None | -4 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 458 | 9 | 1 | 3 | 6.5 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@@](C)(F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4457303 | 171054 | 0 | None | -4 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 458 | 9 | 1 | 3 | 6.5 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@@](C)(F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 118637996 | 142145 | 0 | None | -15 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL3883819 | 142145 | 0 | None | -15 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4162778 | 142145 | 0 | None | -15 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| 118637996 | 142145 | 0 | None | -15 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883819 | 142145 | 0 | None | -15 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL4162778 | 142145 | 0 | None | -15 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 59590781 | 111225 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 517 | 8 | 1 | 4 | 7.4 | COc1cc(-c2ccc(COc3ccc4c(c3)[C@@](C)(CC(=O)O)CC4)cc2[C@@H]2CCCC2(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| CHEMBL3265147 | 111225 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 517 | 8 | 1 | 4 | 7.4 | COc1cc(-c2ccc(COc3ccc4c(c3)[C@@](C)(CC(=O)O)CC4)cc2[C@@H]2CCCC2(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| 90644286 | 111926 | 0 | None | 10 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 361 | 7 | 1 | 3 | 5.0 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288344 | 111926 | 0 | None | 10 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 361 | 7 | 1 | 3 | 5.0 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 57706778 | 80768 | 29 | None | -8 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL2152070 | 80768 | 29 | None | -8 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| 67087173 | 182436 | 0 | None | -8 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 522 | 8 | 1 | 4 | 6.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4786335 | 182436 | 0 | None | -8 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 522 | 8 | 1 | 4 | 6.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 24897670 | 111777 | 23 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 488 | 8 | 1 | 6 | 6.3 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)O)c2ccon2)cc1 | 10.1021/ml400501x | ||
| CHEMBL3287574 | 111777 | 23 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 488 | 8 | 1 | 6 | 6.3 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)O)c2ccon2)cc1 | 10.1021/ml400501x | ||
| 45107312 | 119107 | 5 | None | 2 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 394 | 7 | 1 | 3 | 5.3 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c2cccc3C(F)(F)F)cc1 | 10.1021/ml500391n | ||
| CHEMBL3427712 | 119107 | 5 | None | 2 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 394 | 7 | 1 | 3 | 5.3 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c2cccc3C(F)(F)F)cc1 | 10.1021/ml500391n | ||
| 45107312 | 119107 | 5 | None | 2 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 394 | 7 | 1 | 3 | 5.3 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c2cccc3C(F)(F)F)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3427712 | 119107 | 5 | None | 2 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 394 | 7 | 1 | 3 | 5.3 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c2cccc3C(F)(F)F)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 90644290 | 111930 | 0 | None | 4 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 362 | 7 | 1 | 4 | 4.4 | Cc1cccc(C)c1-c1cccc(COc2cnc(CCC(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288348 | 111930 | 0 | None | 4 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 362 | 7 | 1 | 4 | 4.4 | Cc1cccc(C)c1-c1cccc(COc2cnc(CCC(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 15602772 | 111776 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 503 | 8 | 1 | 8 | 4.8 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)O)c2nnnn2C)cc1 | 10.1021/ml400501x | ||
| CHEMBL3287573 | 111776 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 503 | 8 | 1 | 8 | 4.8 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)O)c2nnnn2C)cc1 | 10.1021/ml400501x | ||
| 45107282 | 119098 | 1 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 368 | 8 | 1 | 3 | 5.1 | CCO[C@@H](CC(=O)O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 | 10.1021/ml500391n | ||
| CHEMBL3427703 | 119098 | 1 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 368 | 8 | 1 | 3 | 5.1 | CCO[C@@H](CC(=O)O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 | 10.1021/ml500391n | ||
| 45107282 | 119098 | 1 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 368 | 8 | 1 | 3 | 5.1 | CCO[C@@H](CC(=O)O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3427703 | 119098 | 1 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 368 | 8 | 1 | 3 | 5.1 | CCO[C@@H](CC(=O)O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 118144982 | 170328 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 478 | 8 | 1 | 3 | 6.9 | COc1ccc(F)c(-c2ccc3c(c2F)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4447353 | 170328 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 478 | 8 | 1 | 3 | 6.9 | COc1ccc(F)c(-c2ccc3c(c2F)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 51350139 | 58820 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 374 | 7 | 1 | 2 | 5.9 | Cc1cc(OCc2cccc(-c3c(C)cccc3C)c2)ccc1CCC(=O)O | 10.1021/jm101405t | ||
| CHEMBL1688474 | 58820 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 374 | 7 | 1 | 2 | 5.9 | Cc1cc(OCc2cccc(-c3c(C)cccc3C)c2)ccc1CCC(=O)O | 10.1021/jm101405t | ||
| 51350140 | 58821 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 390 | 8 | 1 | 3 | 5.6 | COc1cc(OCc2cccc(-c3c(C)cccc3C)c2)ccc1CCC(=O)O | 10.1021/jm101405t | ||
| CHEMBL1688475 | 58821 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 390 | 8 | 1 | 3 | 5.6 | COc1cc(OCc2cccc(-c3c(C)cccc3C)c2)ccc1CCC(=O)O | 10.1021/jm101405t | ||
| 51350405 | 58831 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 374 | 8 | 1 | 2 | 6.1 | CC(C)c1ccccc1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| CHEMBL1688485 | 58831 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 374 | 8 | 1 | 2 | 6.1 | CC(C)c1ccccc1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| 23111734 | 74074 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 476 | 11 | 1 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm300170m | ||
| CHEMBL2022577 | 74074 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 476 | 11 | 1 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm300170m | ||
| 131986035 | 164033 | 0 | None | -5 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 612 | 10 | 1 | 8 | 6.1 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCC5(C)CS(=O)(=O)C5)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4209136 | 164033 | 0 | None | -5 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 612 | 10 | 1 | 8 | 6.1 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCC5(C)CS(=O)(=O)C5)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 122185435 | 122648 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 318 | 8 | 1 | 3 | 4.0 | CCOC(CC(=O)O)c1ccc(OCc2cccc(F)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604040 | 122648 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 318 | 8 | 1 | 3 | 4.0 | CCOC(CC(=O)O)c1ccc(OCc2cccc(F)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 51350138 | 58819 | 0 | None | 660 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| CHEMBL1688473 | 58819 | 0 | None | 660 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| 131986057 | 163631 | 0 | None | -1 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 482 | 7 | 1 | 5 | 6.5 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(F)c3scc(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4204345 | 163631 | 0 | None | -1 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 482 | 7 | 1 | 5 | 6.5 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(F)c3scc(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 118638001 | 142095 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883355 | 142095 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 71613312 | 89966 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 416 | 4 | 1 | 4 | 5.4 | Cc1cccc(C)c1-c1cccc([C@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381306 | 89966 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 416 | 4 | 1 | 4 | 5.4 | Cc1cccc(C)c1-c1cccc([C@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| 71613521 | 89950 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 380 | 3 | 1 | 4 | 4.2 | O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@H](c1cccc(C(F)(F)F)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381290 | 89950 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 380 | 3 | 1 | 4 | 4.2 | O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@H](c1cccc(C(F)(F)F)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| 51349860 | 58798 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 332 | 7 | 1 | 2 | 5.0 | O=C(O)CCc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1 | 10.1021/jm101405t | ||
| CHEMBL1688453 | 58798 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 332 | 7 | 1 | 2 | 5.0 | O=C(O)CCc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1 | 10.1021/jm101405t | ||
| 51349990 | 58823 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 362 | 9 | 1 | 3 | 4.9 | O=C(O)CCc1ccc(OCc2cccc(OCc3ccccc3)c2)cc1 | 10.1021/jm101405t | ||
| CHEMBL1688477 | 58823 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 362 | 9 | 1 | 3 | 4.9 | O=C(O)CCc1ccc(OCc2cccc(OCc3ccccc3)c2)cc1 | 10.1021/jm101405t | ||
| 86803193 | 122433 | 5 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 338 | 7 | 1 | 5 | 3.6 | Cc1ccc(-c2noc(COc3ccc(CCC(=O)O)cc3)n2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3601001 | 122433 | 5 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 338 | 7 | 1 | 5 | 3.6 | Cc1ccc(-c2noc(COc3ccc(CCC(=O)O)cc3)n2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| 155569570 | 176177 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 496 | 7 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4ccc(Cl)c(Cl)c4)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| CHEMBL4593742 | 176177 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 496 | 7 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4ccc(Cl)c(Cl)c4)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| 75511316 | 122483 | 2 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 388 | 8 | 1 | 6 | 4.0 | COc1cccc(-c2noc(COc3ccc(CCC(=O)O)cc3Cl)n2)c1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3601055 | 122483 | 2 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 388 | 8 | 1 | 6 | 4.0 | COc1cccc(-c2noc(COc3ccc(CCC(=O)O)cc3Cl)n2)c1 | 10.1016/j.bmcl.2015.06.018 | ||
| 1049 | 362 | 75 | None | 1 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1021/acs.jmedchem.5b01962 | ||
| 4618 | 362 | 75 | None | 1 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1021/acs.jmedchem.5b01962 | ||
| 5280934 | 362 | 75 | None | 1 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1021/acs.jmedchem.5b01962 | ||
| CHEMBL8739 | 362 | 75 | None | 1 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1021/acs.jmedchem.5b01962 | ||
| DB00132 | 362 | 75 | None | 1 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1021/acs.jmedchem.5b01962 | ||
| 85472225 | 162737 | 0 | None | -64 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 495 | 7 | 1 | 4 | 6.5 | O=C(O)CCc1cc(F)c(OCc2c(-c3ccc(Cl)c(F)c3)nsc2C(F)(F)F)c(F)c1 | 10.1021/acsmedchemlett.7b00233 | ||
| CHEMBL4171724 | 162737 | 0 | None | -64 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 495 | 7 | 1 | 4 | 6.5 | O=C(O)CCc1cc(F)c(OCc2c(-c3ccc(Cl)c(F)c3)nsc2C(F)(F)F)c(F)c1 | 10.1021/acsmedchemlett.7b00233 | ||
| 67085353 | 159211 | 0 | None | -9 | 2 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 435 | 7 | 1 | 4 | 6.0 | COc1ccc(F)c(-c2cccc(Oc3ccc(N4CCC[C@H]4CC(=O)O)cc3)c2C)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4098892 | 159211 | 0 | None | -9 | 2 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 435 | 7 | 1 | 4 | 6.0 | COc1ccc(F)c(-c2cccc(Oc3ccc(N4CCC[C@H]4CC(=O)O)cc3)c2C)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 145947309 | 167653 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 491 | 8 | 1 | 4 | 6.4 | O=C(O)C[C@@H]1COc2cc(OCc3cccc(-c4ccc5c(c4)CN(Cc4ccccc4)C5)c3)ccc21 | 10.1016/j.bmcl.2018.07.048 | ||
| CHEMBL4241974 | 167653 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 491 | 8 | 1 | 4 | 6.4 | O=C(O)C[C@@H]1COc2cc(OCc3cccc(-c4ccc5c(c4)CN(Cc4ccccc4)C5)c3)ccc21 | 10.1016/j.bmcl.2018.07.048 | ||
| CHEMBL4302072 | 167653 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 491 | 8 | 1 | 4 | 6.4 | O=C(O)C[C@@H]1COc2cc(OCc3cccc(-c4ccc5c(c4)CN(Cc4ccccc4)C5)c3)ccc21 | 10.1016/j.bmcl.2018.07.048 | ||
| 145965968 | 164222 | 0 | None | 4 | 2 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 480 | 7 | 1 | 5 | 6.0 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3c(c2)c(-c2ccccc2C)c[s+]3[O-])cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4211335 | 164222 | 0 | None | 4 | 2 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 480 | 7 | 1 | 5 | 6.0 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3c(c2)c(-c2ccccc2C)c[s+]3[O-])cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 86803219 | 122487 | 2 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 426 | 7 | 1 | 5 | 5.0 | O=C(O)CCc1ccc(OCc2nc(-c3cccc(C(F)(F)F)c3)no2)c(Cl)c1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3601059 | 122487 | 2 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 426 | 7 | 1 | 5 | 5.0 | O=C(O)CCc1ccc(OCc2nc(-c3cccc(C(F)(F)F)c3)no2)c(Cl)c1 | 10.1016/j.bmcl.2015.06.018 | ||
| 24860552 | 143263 | 1 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 312 | 8 | 1 | 2 | 4.7 | CC[C@H](C)COc1ccc(C(CC(=O)O)c2ccccc2)cc1 | 10.1021/jm2005699 | ||
| CHEMBL389699 | 143263 | 1 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 312 | 8 | 1 | 2 | 4.7 | CC[C@H](C)COc1ccc(C(CC(=O)O)c2ccccc2)cc1 | 10.1021/jm2005699 | ||
| 11750823 | 76804 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 5.9 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@@H]2C[C@@H]2C(=O)O)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL206942 | 76804 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 5.9 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@@H]2C[C@@H]2C(=O)O)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 145980573 | 166567 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 384 | 8 | 1 | 4 | 4.8 | CC(C)(C)c1cccc(OCCCOc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1016/j.ejmech.2018.09.071 | ||
| CHEMBL4280212 | 166567 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 384 | 8 | 1 | 4 | 4.8 | CC(C)(C)c1cccc(OCCCOc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1016/j.ejmech.2018.09.071 | ||
| 118642391 | 162938 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 429 | 7 | 1 | 4 | 5.8 | COc1cccc(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)n1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4174833 | 162938 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 429 | 7 | 1 | 4 | 5.8 | COc1cccc(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)n1 | 10.1021/acsmedchemlett.8b00149 | ||
| 53248847 | 62117 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 432 | 7 | 1 | 3 | 5.8 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1F | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777855 | 62117 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 432 | 7 | 1 | 3 | 5.8 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1F | 10.1016/j.bmcl.2011.03.114 | ||
| 90151464 | 155912 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 519 | 7 | 1 | 6 | 5.6 | COc1cc(C)c(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c(C)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4061053 | 155912 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 519 | 7 | 1 | 6 | 5.6 | COc1cc(C)c(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c(C)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| 145986662 | 167149 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 428 | 7 | 1 | 6 | 3.9 | Cn1cncc1C(CC(=O)O)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4291179 | 167149 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 428 | 7 | 1 | 6 | 3.9 | Cn1cncc1C(CC(=O)O)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 12830931 | 202421 | 3 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 299 | 4 | 1 | 4 | 3.4 | O=C1NC(=O)C(Cc2ccc(Oc3ccccc3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL611065 | 202421 | 3 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 299 | 4 | 1 | 4 | 3.4 | O=C1NC(=O)C(Cc2ccc(Oc3ccccc3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 145984906 | 166368 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 362 | 8 | 1 | 4 | 4.1 | O=C(O)CC1COc2cc(OCCCOc3cccc(Cl)c3)ccc21 | 10.1016/j.ejmech.2018.09.071 | ||
| CHEMBL4276781 | 166368 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 362 | 8 | 1 | 4 | 4.1 | O=C(O)CC1COc2cc(OCCCOc3cccc(Cl)c3)ccc21 | 10.1016/j.ejmech.2018.09.071 | ||
| 145955179 | 162386 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 490 | 8 | 1 | 5 | 4.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)o2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4166005 | 162386 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 490 | 8 | 1 | 5 | 4.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)o2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 71562422 | 86512 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 276 | 2 | 1 | 1 | 3.6 | Cc1ccc(C#Cc2ccc([C@H]3C[C@@H]3C(=O)O)cc2)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315540 | 86512 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 276 | 2 | 1 | 1 | 3.6 | Cc1ccc(C#Cc2ccc([C@H]3C[C@@H]3C(=O)O)cc2)cc1 | 10.1021/jm301470a | ||
| 145974478 | 164663 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 451 | 8 | 2 | 6 | 4.4 | O=C(O)CCc1ccc(NC(=O)c2nnc(COc3cccc(C(F)(F)F)c3)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| CHEMBL4217082 | 164663 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 451 | 8 | 2 | 6 | 4.4 | O=C(O)CCc1ccc(NC(=O)c2nnc(COc3cccc(C(F)(F)F)c3)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| 58172986 | 119100 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 326 | 7 | 1 | 3 | 4.3 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3ccccc32)cc1 | 10.1021/ml500391n | ||
| CHEMBL3427705 | 119100 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 326 | 7 | 1 | 3 | 4.3 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3ccccc32)cc1 | 10.1021/ml500391n | ||
| 58172986 | 119100 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 326 | 7 | 1 | 3 | 4.3 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3ccccc32)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3427705 | 119100 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 326 | 7 | 1 | 3 | 4.3 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3ccccc32)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 54586486 | 62132 | 0 | None | 1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 320 | 5 | 1 | 2 | 4.3 | CC#CC(CC(=O)O)c1ccc(O[C@@H]2CCc3ccccc32)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777870 | 62132 | 0 | None | 1 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 320 | 5 | 1 | 2 | 4.3 | CC#CC(CC(=O)O)c1ccc(O[C@@H]2CCc3ccccc32)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acsmedchemlett.8b00444 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acsmedchemlett.8b00444 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acsmedchemlett.8b00444 | ||
| 57413375 | 77190 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 485 | 9 | 1 | 4 | 7.2 | Cc1cccc(Oc2cc(C)c(-c3cccc(COc4ccc(CCC(=O)O)c(F)c4)c3)c(C)c2)n1 | 10.1021/jm2016123 | ||
| CHEMBL2048620 | 77190 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 485 | 9 | 1 | 4 | 7.2 | Cc1cccc(Oc2cc(C)c(-c3cccc(COc4ccc(CCC(=O)O)c(F)c4)c3)c(C)c2)n1 | 10.1021/jm2016123 | ||
| CHEMBL2079468 | 77190 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 485 | 9 | 1 | 4 | 7.2 | Cc1cccc(Oc2cc(C)c(-c3cccc(COc4ccc(CCC(=O)O)c(F)c4)c3)c(C)c2)n1 | 10.1021/jm2016123 | ||
| 145950347 | 162814 | 0 | None | -1 | 3 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 506 | 8 | 1 | 5 | 5.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4172828 | 162814 | 0 | None | -1 | 3 | Mouse | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 506 | 8 | 1 | 5 | 5.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 118645541 | 180619 | 0 | None | -4 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 526 | 10 | 1 | 5 | 7.1 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2-c2cc(C)cc(C)c2)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4754974 | 180619 | 0 | None | -4 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 526 | 10 | 1 | 5 | 7.1 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2-c2cc(C)cc(C)c2)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2017.12.030 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2017.12.030 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2017.12.030 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2017.12.030 | ||
| 51349861 | 58799 | 0 | None | 77 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 348 | 8 | 1 | 3 | 5.1 | O=C(O)CCc1ccc(OCc2ccc(Oc3ccccc3)cc2)cc1 | 10.1021/jm101405t | ||
| CHEMBL1688454 | 58799 | 0 | None | 77 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 348 | 8 | 1 | 3 | 5.1 | O=C(O)CCc1ccc(OCc2ccc(Oc3ccccc3)cc2)cc1 | 10.1021/jm101405t | ||
| 57706502 | 164291 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 516 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2[C@H]2CCCC2(C)C)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| CHEMBL4212284 | 164291 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 516 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2[C@H]2CCCC2(C)C)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| 67085353 | 159211 | 0 | None | 9 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 435 | 7 | 1 | 4 | 6.0 | COc1ccc(F)c(-c2cccc(Oc3ccc(N4CCC[C@H]4CC(=O)O)cc3)c2C)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4098892 | 159211 | 0 | None | 9 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 435 | 7 | 1 | 4 | 6.0 | COc1ccc(F)c(-c2cccc(Oc3ccc(N4CCC[C@H]4CC(=O)O)cc3)c2C)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 87265393 | 159257 | 0 | None | 4 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 433 | 5 | 1 | 3 | 5.7 | O=C(O)C[C@@H]1C[C@H](C(F)(F)F)CN1c1ccc(Oc2ccccc2C(F)(F)F)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4099410 | 159257 | 0 | None | 4 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 433 | 5 | 1 | 3 | 5.7 | O=C(O)C[C@@H]1C[C@H](C(F)(F)F)CN1c1ccc(Oc2ccccc2C(F)(F)F)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 90644291 | 111931 | 0 | None | 1 | 2 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 362 | 7 | 1 | 4 | 4.4 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)nn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288349 | 111931 | 0 | None | 1 | 2 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 362 | 7 | 1 | 4 | 4.4 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)nn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 58172988 | 122643 | 2 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 413 | 9 | 1 | 5 | 5.0 | CCOC(CC(=O)O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604036 | 122643 | 2 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 413 | 9 | 1 | 5 | 5.0 | CCOC(CC(=O)O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 | 10.1016/j.bmc.2015.07.028 | ||
| 90372458 | 142199 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 500 | 7 | 1 | 3 | 7.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc(CCC(=O)O)cc4O3)cc2C2=CCCC2(C)C)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3884347 | 142199 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 500 | 7 | 1 | 3 | 7.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc(CCC(=O)O)cc4O3)cc2C2=CCCC2(C)C)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 54757739 | 65319 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 325 | 5 | 1 | 2 | 3.9 | C=CCc1c(C#Cc2ccc(CCC(=O)O)cc2)ccnc1Cl | 10.1021/jm2005699 | ||
| CHEMBL1829167 | 65319 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 325 | 5 | 1 | 2 | 3.9 | C=CCc1c(C#Cc2ccc(CCC(=O)O)cc2)ccnc1Cl | 10.1021/jm2005699 | ||
| 24825481 | 75896 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 361 | 9 | 2 | 3 | 5.5 | O=C(O)CCCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| CHEMBL205090 | 75896 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 361 | 9 | 2 | 3 | 5.5 | O=C(O)CCCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| 1049 | 362 | 75 | None | 1 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1021/acs.jmedchem.5b01962 | ||
| 4618 | 362 | 75 | None | 1 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1021/acs.jmedchem.5b01962 | ||
| 5280934 | 362 | 75 | None | 1 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1021/acs.jmedchem.5b01962 | ||
| CHEMBL8739 | 362 | 75 | None | 1 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1021/acs.jmedchem.5b01962 | ||
| DB00132 | 362 | 75 | None | 1 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1021/acs.jmedchem.5b01962 | ||
| 12830934 | 202375 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 333 | 4 | 1 | 4 | 4.0 | O=C1NC(=O)C(Cc2ccc(Oc3cccc(Cl)c3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL610787 | 202375 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 333 | 4 | 1 | 4 | 4.0 | O=C1NC(=O)C(Cc2ccc(Oc3cccc(Cl)c3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 134133675 | 143237 | 0 | None | -22 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 318 | 8 | 1 | 3 | 4.1 | CCOc1ccc(F)c(-c2ccc(OCCCC(=O)O)cc2)c1 | 10.1016/j.bmcl.2016.10.054 | ||
| CHEMBL3896714 | 143237 | 0 | None | -22 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 318 | 8 | 1 | 3 | 4.1 | CCOc1ccc(F)c(-c2ccc(OCCCC(=O)O)cc2)c1 | 10.1016/j.bmcl.2016.10.054 | ||
| 51350137 | 58818 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 374 | 7 | 1 | 2 | 6.1 | Cc1cccc(C)c1-c1cccc(COc2ccc(C(C)CC(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| CHEMBL1688472 | 58818 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 374 | 7 | 1 | 2 | 6.1 | Cc1cccc(C)c1-c1cccc(COc2ccc(C(C)CC(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| 25150014 | 3854 | 55 | None | 44 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 10.1021/jm8010178 | ||
| 3952 | 3854 | 55 | None | 44 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 10.1021/jm8010178 | ||
| CHEMBL449588 | 3854 | 55 | None | 44 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 10.1021/jm8010178 | ||
| 90644288 | 111928 | 0 | None | 20 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 366 | 7 | 1 | 3 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)s2)c1 | 10.1021/acs.jmedchem.6b01357 | ||
| CHEMBL3288346 | 111928 | 0 | None | 20 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 366 | 7 | 1 | 3 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)s2)c1 | 10.1021/acs.jmedchem.6b01357 | ||
| 11489259 | 75800 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 519 | 12 | 1 | 4 | 6.1 | Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048621 | 75800 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 519 | 12 | 1 | 4 | 6.1 | Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| 162674654 | 183431 | 0 | None | -9 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 525 | 8 | 1 | 3 | 7.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4798993 | 183431 | 0 | None | -9 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 525 | 8 | 1 | 3 | 7.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 131986082 | 164130 | 0 | None | 2 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 454 | 7 | 1 | 7 | 4.7 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccnn4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4210243 | 164130 | 0 | None | 2 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 454 | 7 | 1 | 7 | 4.7 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccnn4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 131986378 | 164557 | 0 | None | 1 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 552 | 11 | 1 | 7 | 6.7 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C)c(-c4ccc(OCCOC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4215544 | 164557 | 0 | None | 1 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 552 | 11 | 1 | 7 | 6.7 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C)c(-c4ccc(OCCOC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 118645685 | 179844 | 0 | None | -15 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 492 | 10 | 1 | 5 | 6.4 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2CC(C)(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4745513 | 179844 | 0 | None | -15 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 492 | 10 | 1 | 5 | 6.4 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2CC(C)(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| 25150014 | 3854 | 55 | None | 44 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 10.1021/jm8010178 | ||
| 3952 | 3854 | 55 | None | 44 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 10.1021/jm8010178 | ||
| CHEMBL449588 | 3854 | 55 | None | 44 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 10.1021/jm8010178 | ||
| 127046960 | 139966 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 369 | 7 | 1 | 4 | 4.7 | Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.bmcl.2019.04.019 | ||
| CHEMBL3799946 | 139966 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 369 | 7 | 1 | 4 | 4.7 | Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.bmcl.2019.04.019 | ||
| CHEMBL4227915 | 139966 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 369 | 7 | 1 | 4 | 4.7 | Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.bmcl.2019.04.019 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2018.07.050 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2018.07.050 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2018.07.050 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2018.07.050 | ||
| 51351414 | 58814 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 358 | 7 | 1 | 1 | 5.8 | Cc1cccc(C)c1-c1cccc(CCc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| CHEMBL1688468 | 58814 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 358 | 7 | 1 | 1 | 5.8 | Cc1cccc(C)c1-c1cccc(CCc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| 90161101 | 158762 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 540 | 7 | 1 | 7 | 5.3 | COc1cc(N2CC[C@H](Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@@H](C)C2)c(Cl)cn1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4094183 | 158762 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 540 | 7 | 1 | 7 | 5.3 | COc1cc(N2CC[C@H](Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@@H](C)C2)c(Cl)cn1 | 10.1021/acs.jmedchem.7b00982 | ||
| 90644300 | 111940 | 0 | None | -31 | 2 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 375 | 7 | 1 | 3 | 5.5 | Cc1cccc(C)c1-c1cccc(COc2ccc(C(C)CC(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288358 | 111940 | 0 | None | -31 | 2 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 375 | 7 | 1 | 3 | 5.5 | Cc1cccc(C)c1-c1cccc(COc2ccc(C(C)CC(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 1622278 | 94975 | 10 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 341 | 7 | 1 | 5 | 3.6 | O=C(O)CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S | 10.1021/jm7012425 | ||
| CHEMBL254861 | 94975 | 10 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 341 | 7 | 1 | 5 | 3.6 | O=C(O)CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S | 10.1021/jm7012425 | ||
| 22036572 | 165276 | 73 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 242 | 5 | 1 | 2 | 3.5 | O=C(O)CCc1ccc(Oc2ccccc2)cc1 | 10.1021/jm101405t | ||
| CHEMBL423319 | 165276 | 73 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 242 | 5 | 1 | 2 | 3.5 | O=C(O)CCc1ccc(Oc2ccccc2)cc1 | 10.1021/jm101405t | ||
| 57397248 | 69982 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 314 | 8 | 1 | 3 | 4.2 | CCC(CC(=O)O)c1ccc(OCc2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| CHEMBL1939638 | 69982 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 314 | 8 | 1 | 3 | 4.2 | CCC(CC(=O)O)c1ccc(OCc2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| 122185442 | 122659 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 318 | 8 | 1 | 5 | 2.9 | CCOC(CC(=O)O)c1ccc(OCc2cc(C)nn2C)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604051 | 122659 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 318 | 8 | 1 | 5 | 2.9 | CCOC(CC(=O)O)c1ccc(OCc2cc(C)nn2C)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 58218581 | 159100 | 0 | None | -8 | 2 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 365 | 5 | 1 | 3 | 5.2 | O=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccc(Cl)cc2Cl)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4097826 | 159100 | 0 | None | -8 | 2 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 365 | 5 | 1 | 3 | 5.2 | O=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccc(Cl)cc2Cl)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 137640417 | 157077 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 351 | 7 | 1 | 5 | 3.6 | Cc1cccc(C)c1-c1cccc(OCn2cc(CCC(=O)O)nn2)c1 | 10.1021/acs.jmedchem.6b01357 | ||
| CHEMBL4074547 | 157077 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 351 | 7 | 1 | 5 | 3.6 | Cc1cccc(C)c1-c1cccc(OCn2cc(CCC(=O)O)nn2)c1 | 10.1021/acs.jmedchem.6b01357 | ||
| 44409697 | 76692 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 365 | 8 | 2 | 4 | 5.3 | O=C(O)CSc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL206572 | 76692 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 365 | 8 | 2 | 4 | 5.3 | O=C(O)CSc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 168283014 | 190852 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 393 | 7 | 1 | 5 | 4.7 | O=C(O)COc1ccc(OCc2cccc(-c3ccc4ncoc4c3)c2)cc1F | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL5184830 | 190852 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 393 | 7 | 1 | 5 | 4.7 | O=C(O)COc1ccc(OCc2cccc(-c3ccc4ncoc4c3)c2)cc1F | 10.1016/j.bmc.2022.116615 | ||
| 155527626 | 171207 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 554 | 9 | 1 | 3 | 9.0 | COc1ccc(F)c(-c2ccc3c(c2C2=CCCC2(C)C)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4459709 | 171207 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 554 | 9 | 1 | 3 | 9.0 | COc1ccc(F)c(-c2ccc3c(c2C2=CCCC2(C)C)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 145966219 | 164273 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.7 | Cc1cccc(OCc2nnc(C(=O)Nc3ccc(CCC(=O)O)cc3)s2)c1 | 10.1016/j.ejmech.2017.09.019 | ||
| CHEMBL4212106 | 164273 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.7 | Cc1cccc(OCc2nnc(C(=O)Nc3ccc(CCC(=O)O)cc3)s2)c1 | 10.1016/j.ejmech.2017.09.019 | ||
| 118638009 | 167629 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 479 | 7 | 1 | 4 | 6.3 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4160527 | 167629 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 479 | 7 | 1 | 4 | 6.3 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4301726 | 167629 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 479 | 7 | 1 | 4 | 6.3 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 145948007 | 167714 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 334 | 9 | 1 | 3 | 4.2 | O=C(O)CCc1ccc(OCCCOc2cccc(Cl)c2)cc1 | 10.1016/j.ejmech.2018.09.071 | ||
| CHEMBL4284549 | 167714 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 334 | 9 | 1 | 3 | 4.2 | O=C(O)CCc1ccc(OCCCOc2cccc(Cl)c2)cc1 | 10.1016/j.ejmech.2018.09.071 | ||
| CHEMBL4302817 | 167714 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 334 | 9 | 1 | 3 | 4.2 | O=C(O)CCc1ccc(OCCCOc2cccc(Cl)c2)cc1 | 10.1016/j.ejmech.2018.09.071 | ||
| 23111668 | 74017 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 386 | 6 | 1 | 2 | 6.1 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022243 | 74017 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 386 | 6 | 1 | 2 | 6.1 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| 23111766 | 74032 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 402 | 6 | 1 | 3 | 5.8 | Cc1cc(C)c(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022258 | 74032 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 402 | 6 | 1 | 3 | 5.8 | Cc1cc(C)c(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| 131986113 | 164801 | 0 | None | -1 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 590 | 7 | 1 | 5 | 6.9 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(I)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4218709 | 164801 | 0 | None | -1 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 590 | 7 | 1 | 5 | 6.9 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(I)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 66562385 | 90339 | 0 | None | 47 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 282 | 3 | 1 | 1 | 3.6 | Cc1ccccc1C#Cc1ccc(CCC(=O)O)c(F)c1 | 10.1021/ml4000673 | ||
| CHEMBL2386361 | 90339 | 0 | None | 47 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 282 | 3 | 1 | 1 | 3.6 | Cc1ccccc1C#Cc1ccc(CCC(=O)O)c(F)c1 | 10.1021/ml4000673 | ||
| 127046962 | 139911 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 387 | 7 | 1 | 4 | 4.8 | Cc1noc(C)c1-c1cc(F)cc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3799639 | 139911 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 387 | 7 | 1 | 4 | 4.8 | Cc1noc(C)c1-c1cc(F)cc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2017.10.040 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2017.10.040 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2017.10.040 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2017.10.040 | ||
| 118737973 | 119109 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 394 | 7 | 1 | 3 | 5.3 | CCO[C@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c2cccc3C(F)(F)F)cc1 | 10.1021/ml500391n | ||
| CHEMBL3427714 | 119109 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 394 | 7 | 1 | 3 | 5.3 | CCO[C@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c2cccc3C(F)(F)F)cc1 | 10.1021/ml500391n | ||
| 58218651 | 158295 | 0 | None | -4 | 2 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 379 | 5 | 1 | 3 | 5.0 | Cc1ccccc1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4089171 | 158295 | 0 | None | -4 | 2 | Mouse | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 379 | 5 | 1 | 3 | 5.0 | Cc1ccccc1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 145965467 | 164142 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 403 | 7 | 1 | 6 | 3.6 | Cc1nc(-c2ccccc2)sc1COc1ccc(S(=O)(=O)CC(=O)O)cc1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4210415 | 164142 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 403 | 7 | 1 | 6 | 3.6 | Cc1nc(-c2ccccc2)sc1COc1ccc(S(=O)(=O)CC(=O)O)cc1 | 10.1016/j.ejmech.2017.07.001 | ||
| 54583097 | 61770 | 1 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 270 | 6 | 1 | 2 | 3.8 | CC(Oc1ccc(CCC(=O)O)cc1)c1ccccc1 | 10.1021/ml100106c | ||
| CHEMBL1773249 | 61770 | 1 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 270 | 6 | 1 | 2 | 3.8 | CC(Oc1ccc(CCC(=O)O)cc1)c1ccccc1 | 10.1021/ml100106c | ||
| 118145140 | 175361 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 461 | 8 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2cc3c(cn2)[C@H](Oc2cccc([C@H](C4CC4)[C@H](C)C(=O)O)c2)CC3)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4575265 | 175361 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 461 | 8 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2cc3c(cn2)[C@H](Oc2cccc([C@H](C4CC4)[C@H](C)C(=O)O)c2)CC3)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 46231545 | 201047 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 327 | 4 | 1 | 4 | 4.0 | Cc1cccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)c1C | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL602731 | 201047 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 327 | 4 | 1 | 4 | 4.0 | Cc1cccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)c1C | 10.1016/j.bmcl.2009.10.052 | ||
| 85470884 | 163980 | 2 | None | -36 | 5 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 459 | 7 | 1 | 3 | 6.0 | O=C(O)CCc1cc(F)c(OCc2c(C(F)(F)F)ccn2-c2ccc(Cl)cc2)c(F)c1 | 10.1016/j.bmcl.2018.02.013 | ||
| CHEMBL4208325 | 163980 | 2 | None | -36 | 5 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 459 | 7 | 1 | 3 | 6.0 | O=C(O)CCc1cc(F)c(OCc2c(C(F)(F)F)ccn2-c2ccc(Cl)cc2)c(F)c1 | 10.1016/j.bmcl.2018.02.013 | ||
| 137630696 | 161076 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 612 | 12 | 1 | 6 | 6.9 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ccc(C(F)(F)F)cn3)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4064196 | 161076 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 612 | 12 | 1 | 6 | 6.9 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ccc(C(F)(F)F)cn3)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4116961 | 161076 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 612 | 12 | 1 | 6 | 6.9 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ccc(C(F)(F)F)cn3)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| 134156096 | 151423 | 0 | None | -100 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 400 | 8 | 1 | 3 | 6.2 | O=C(O)CCCOc1ccc(-c2cc(Oc3cccc(F)c3)ccc2Cl)cc1 | 10.1016/j.bmcl.2016.10.054 | ||
| CHEMBL3961950 | 151423 | 0 | None | -100 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 400 | 8 | 1 | 3 | 6.2 | O=C(O)CCCOc1ccc(-c2cc(Oc3cccc(F)c3)ccc2Cl)cc1 | 10.1016/j.bmcl.2016.10.054 | ||
| 71562526 | 86521 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 318 | 3 | 1 | 1 | 4.1 | O=C(O)CCc1ccc(C#Cc2ccccc2C(F)(F)F)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315549 | 86521 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 318 | 3 | 1 | 1 | 4.1 | O=C(O)CCc1ccc(C#Cc2ccccc2C(F)(F)F)cc1 | 10.1021/jm301470a | ||
| 23136363 | 58803 | 0 | None | 14 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 348 | 8 | 1 | 3 | 5.1 | O=C(O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1 | 10.1021/jm101405t | ||
| CHEMBL1688458 | 58803 | 0 | None | 14 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 348 | 8 | 1 | 3 | 5.1 | O=C(O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1 | 10.1021/jm101405t | ||
| 146314300 | 181416 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 493 | 11 | 1 | 4 | 6.9 | COc1ccc(CCC(C)(C)C)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4764150 | 181416 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 493 | 11 | 1 | 4 | 6.9 | COc1ccc(CCC(C)(C)C)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 155526793 | 171170 | 0 | None | -2 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 462 | 9 | 1 | 3 | 6.4 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)C(F)(F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4459220 | 171170 | 0 | None | -2 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 462 | 9 | 1 | 3 | 6.4 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)C(F)(F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 71613516 | 89945 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 346 | 3 | 1 | 4 | 3.8 | O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1cccc(Cl)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381285 | 89945 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 346 | 3 | 1 | 4 | 3.8 | O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1cccc(Cl)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| 46941175 | 61782 | 26 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 345 | 7 | 2 | 2 | 5.3 | Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/ml100106c | ||
| CHEMBL1773261 | 61782 | 26 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 345 | 7 | 2 | 2 | 5.3 | Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/ml100106c | ||
| 51350138 | 58819 | 0 | None | 660 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm3002026 | ||
| CHEMBL1688473 | 58819 | 0 | None | 660 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm3002026 | ||
| 127031412 | 138702 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 407 | 7 | 1 | 5 | 4.6 | COc1ccc(COc2ccc3c(c2)OCC3CC(=O)O)cc1-n1c(C)ccc1C | 10.1016/j.bmc.2016.03.014 | ||
| CHEMBL3780042 | 138702 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 407 | 7 | 1 | 5 | 4.6 | COc1ccc(COc2ccc3c(c2)OCC3CC(=O)O)cc1-n1c(C)ccc1C | 10.1016/j.bmc.2016.03.014 | ||
| 168283114 | 191036 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 436 | 10 | 1 | 4 | 5.6 | Cc1ccc(OCC2CC2)cc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL5187322 | 191036 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 436 | 10 | 1 | 4 | 5.6 | Cc1ccc(OCC2CC2)cc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| 58218630 | 159631 | 0 | None | 13 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 379 | 6 | 1 | 3 | 5.0 | O=C(O)C[C@@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4103729 | 159631 | 0 | None | 13 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 379 | 6 | 1 | 3 | 5.0 | O=C(O)C[C@@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 145978975 | 166539 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 386 | 6 | 1 | 4 | 4.1 | CC#C[C@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4279744 | 166539 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 386 | 6 | 1 | 4 | 4.1 | CC#C[C@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 58218571 | 157456 | 0 | None | -17 | 2 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 325 | 6 | 1 | 3 | 4.0 | Cc1ccccc1COc1ccc(N2CCC[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4079421 | 157456 | 0 | None | -17 | 2 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 325 | 6 | 1 | 3 | 4.0 | Cc1ccccc1COc1ccc(N2CCC[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 25261464 | 80769 | 2 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300133f | ||
| CHEMBL2152071 | 80769 | 2 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300133f | ||
| 145992078 | 166982 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 406 | 8 | 1 | 4 | 4.2 | O=C(O)CC1COc2cc(OCCCOc3cccc(Br)c3)ccc21 | 10.1016/j.ejmech.2018.09.071 | ||
| CHEMBL4288124 | 166982 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 406 | 8 | 1 | 4 | 4.2 | O=C(O)CC1COc2cc(OCCCOc3cccc(Br)c3)ccc21 | 10.1016/j.ejmech.2018.09.071 | ||
| 71562315 | 86508 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 276 | 2 | 1 | 1 | 3.6 | O=C(O)CC1CCc2cc(C#Cc3ccccc3)ccc21 | 10.1021/jm301470a | ||
| CHEMBL2315536 | 86508 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 276 | 2 | 1 | 1 | 3.6 | O=C(O)CC1CCc2cc(C#Cc3ccccc3)ccc21 | 10.1021/jm301470a | ||
| 145983824 | 165715 | 0 | None | 6 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 484 | 13 | 1 | 4 | 6.3 | CO[C@H]1C[C@H](Oc2cc(F)c(F)c(-c3cc(F)c(OCCCCCCCC(=O)O)c(F)c3)c2)C1 | 10.1016/j.bmcl.2018.06.047 | ||
| CHEMBL4246334 | 165715 | 0 | None | 6 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 484 | 13 | 1 | 4 | 6.3 | CO[C@H]1C[C@H](Oc2cc(F)c(F)c(-c3cc(F)c(OCCCCCCCC(=O)O)c(F)c3)c2)C1 | 10.1016/j.bmcl.2018.06.047 | ||
| 118642379 | 142094 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883354 | 142094 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 53248847 | 62117 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 432 | 7 | 1 | 3 | 5.8 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1F | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777855 | 62117 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 432 | 7 | 1 | 3 | 5.8 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1F | 10.1016/j.bmcl.2011.03.114 | ||
| 23082739 | 58822 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 396 | 7 | 1 | 2 | 5.8 | Cc1cccc(C)c1-c1cccc(COc2cc(F)c(CCC(=O)O)c(F)c2)c1 | 10.1021/jm101405t | ||
| CHEMBL1688476 | 58822 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 396 | 7 | 1 | 2 | 5.8 | Cc1cccc(C)c1-c1cccc(COc2cc(F)c(CCC(=O)O)c(F)c2)c1 | 10.1021/jm101405t | ||
| 90644303 | 111945 | 0 | None | 2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 314 | 8 | 1 | 3 | 4.1 | CCOC(CC(=O)O)c1ccc(OCc2cccc(C)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3288363 | 111945 | 0 | None | 2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 314 | 8 | 1 | 3 | 4.1 | CCOC(CC(=O)O)c1ccc(OCc2cccc(C)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 122185440 | 122657 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 306 | 8 | 1 | 3 | 4.2 | CCOC(CC(=O)O)c1ccc(OCC2CCCCC2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604049 | 122657 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 306 | 8 | 1 | 3 | 4.2 | CCOC(CC(=O)O)c1ccc(OCC2CCCCC2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 90644303 | 111945 | 0 | None | 2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 314 | 8 | 1 | 3 | 4.1 | CCOC(CC(=O)O)c1ccc(OCc2cccc(C)c2)cc1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288363 | 111945 | 0 | None | 2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 314 | 8 | 1 | 3 | 4.1 | CCOC(CC(=O)O)c1ccc(OCc2cccc(C)c2)cc1 | 10.1016/j.bmcl.2014.04.065 | ||
| 137333449 | 167585 | 5 | None | -10 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1cc(-c2ccc([C@@H]3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4165147 | 167585 | 5 | None | -10 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1cc(-c2ccc([C@@H]3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4301092 | 167585 | 5 | None | -10 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1cc(-c2ccc([C@@H]3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 90372616 | 142208 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 530 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C(OC)C2CC2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3884609 | 142208 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 530 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C(OC)C2CC2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 71562773 | 86504 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 301 | 3 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc([C@H]2C[C@@H]2C(=O)O)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315532 | 86504 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 301 | 3 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc([C@H]2C[C@@H]2C(=O)O)cc1 | 10.1021/jm301470a | ||
| 66562286 | 90337 | 0 | None | 223 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 268 | 3 | 1 | 1 | 3.2 | O=C(O)CCc1ccc(C#Cc2ccccc2)cc1F | 10.1021/ml4000673 | ||
| CHEMBL2386359 | 90337 | 0 | None | 223 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 268 | 3 | 1 | 1 | 3.2 | O=C(O)CCc1ccc(C#Cc2ccccc2)cc1F | 10.1021/ml4000673 | ||
| 71615667 | 89972 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 420 | 4 | 1 | 4 | 5.3 | Cc1cc(F)ccc1-c1cccc(C2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381312 | 89972 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 420 | 4 | 1 | 4 | 5.3 | Cc1cc(F)ccc1-c1cccc(C2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| 19705952 | 58835 | 1 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 270 | 7 | 1 | 2 | 3.3 | O=C(O)CCc1ccc(OCCc2ccccc2)cc1 | 10.1021/jm101405t | ||
| CHEMBL1688489 | 58835 | 1 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 270 | 7 | 1 | 2 | 3.3 | O=C(O)CCc1ccc(OCCc2ccccc2)cc1 | 10.1021/jm101405t | ||
| 23082789 | 58836 | 1 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 284 | 8 | 1 | 2 | 3.7 | O=C(O)CCc1ccc(OCCCc2ccccc2)cc1 | 10.1021/jm101405t | ||
| CHEMBL1688490 | 58836 | 1 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 284 | 8 | 1 | 2 | 3.7 | O=C(O)CCc1ccc(OCCCc2ccccc2)cc1 | 10.1021/jm101405t | ||
| 145982616 | 165722 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 470 | 12 | 1 | 4 | 5.9 | CO[C@H]1C[C@H](Oc2cc(F)c(F)c(-c3cc(F)c(OCCCCCCC(=O)O)c(F)c3)c2)C1 | 10.1016/j.bmcl.2018.06.047 | ||
| CHEMBL4246529 | 165722 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 470 | 12 | 1 | 4 | 5.9 | CO[C@H]1C[C@H](Oc2cc(F)c(F)c(-c3cc(F)c(OCCCCCCC(=O)O)c(F)c3)c2)C1 | 10.1016/j.bmcl.2018.06.047 | ||
| 58218699 | 159392 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 373 | 6 | 1 | 3 | 5.6 | O=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2-c2ccccc2)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4100898 | 159392 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 373 | 6 | 1 | 3 | 5.6 | O=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2-c2ccccc2)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 85470884 | 163980 | 2 | None | -38 | 5 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 459 | 7 | 1 | 3 | 6.0 | O=C(O)CCc1cc(F)c(OCc2c(C(F)(F)F)ccn2-c2ccc(Cl)cc2)c(F)c1 | 10.1016/j.bmcl.2018.02.013 | ||
| CHEMBL4208325 | 163980 | 2 | None | -38 | 5 | Mouse | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 459 | 7 | 1 | 3 | 6.0 | O=C(O)CCc1cc(F)c(OCc2c(C(F)(F)F)ccn2-c2ccc(Cl)cc2)c(F)c1 | 10.1016/j.bmcl.2018.02.013 | ||
| 25150011 | 186665 | 1 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 278 | 4 | 1 | 2 | 2.9 | O=Cc1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm8010178 | ||
| CHEMBL488395 | 186665 | 1 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 278 | 4 | 1 | 2 | 2.9 | O=Cc1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm8010178 | ||
| 44409729 | 140185 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 434 | 7 | 2 | 4 | 6.0 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(CC(C)C(=O)O)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL380504 | 140185 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 434 | 7 | 2 | 4 | 6.0 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(CC(C)C(=O)O)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 57521915 | 76243 | 0 | None | -15 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 378 | 8 | 1 | 3 | 5.7 | CSc1ccc(-c2ccccc2COc2ccc(CCC(=O)O)cc2)cc1 | 10.1021/jm300215x | ||
| CHEMBL2058528 | 76243 | 0 | None | -15 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 378 | 8 | 1 | 3 | 5.7 | CSc1ccc(-c2ccccc2COc2ccc(CCC(=O)O)cc2)cc1 | 10.1021/jm300215x | ||
| 155544661 | 174921 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 443 | 8 | 1 | 4 | 6.0 | COc1cc(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)ccn1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4565467 | 174921 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 443 | 8 | 1 | 4 | 6.0 | COc1cc(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)ccn1 | 10.1016/j.bmcl.2019.04.050 | ||
| 127027659 | 137645 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 391 | 5 | 1 | 4 | 3.9 | O=C1NC(=O)C(Cc2ccc(OCc3cccc(Br)c3)cc2)S1 | 10.1016/j.ejmech.2015.12.049 | ||
| CHEMBL3758549 | 137645 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 391 | 5 | 1 | 4 | 3.9 | O=C1NC(=O)C(Cc2ccc(OCc3cccc(Br)c3)cc2)S1 | 10.1016/j.ejmech.2015.12.049 | ||
| 134157586 | 154139 | 0 | None | -123 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 366 | 8 | 1 | 3 | 5.5 | O=C(O)CCCOc1ccc(-c2cc(Oc3ccccc3)ccc2F)cc1 | 10.1016/j.bmcl.2016.10.054 | ||
| CHEMBL3985509 | 154139 | 0 | None | -123 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 366 | 8 | 1 | 3 | 5.5 | O=C(O)CCCOc1ccc(-c2cc(Oc3ccccc3)ccc2F)cc1 | 10.1016/j.bmcl.2016.10.054 | ||
| 145989198 | 167222 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 342 | 8 | 1 | 4 | 3.8 | Cc1cccc(OCCCOc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1016/j.ejmech.2018.09.071 | ||
| CHEMBL4292598 | 167222 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 342 | 8 | 1 | 4 | 3.8 | Cc1cccc(OCCCOc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1016/j.ejmech.2018.09.071 | ||
| 122185453 | 122676 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 397 | 7 | 1 | 5 | 4.2 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2COc3c2cccc3C(F)(F)F)nc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604068 | 122676 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 397 | 7 | 1 | 5 | 4.2 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2COc3c2cccc3C(F)(F)F)nc1 | 10.1016/j.bmc.2015.07.028 | ||
| 118638009 | 167629 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 479 | 7 | 1 | 4 | 6.3 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4160527 | 167629 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 479 | 7 | 1 | 4 | 6.3 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4301726 | 167629 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 479 | 7 | 1 | 4 | 6.3 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 118623088 | 142102 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 446 | 7 | 1 | 3 | 6.5 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883407 | 142102 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 446 | 7 | 1 | 3 | 6.5 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 155549085 | 173645 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 425 | 10 | 3 | 5 | 4.2 | Cc1cc(OCCO)ccc1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL4534840 | 173645 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 425 | 10 | 3 | 5 | 4.2 | Cc1cc(OCCO)ccc1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| 145964042 | 164059 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 430 | 7 | 1 | 4 | 4.8 | Cc1ccc(-c2cccc(COc3ccc(S(=O)(=O)CC(=O)O)cc3)c2)c(Cl)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4209491 | 164059 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 430 | 7 | 1 | 4 | 4.8 | Cc1ccc(-c2cccc(COc3ccc(S(=O)(=O)CC(=O)O)cc3)c2)c(Cl)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| 44409933 | 75955 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 418 | 6 | 2 | 4 | 5.8 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(/C=C/C(=O)O)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL205434 | 75955 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 418 | 6 | 2 | 4 | 5.8 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(/C=C/C(=O)O)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 71612685 | 89951 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 352 | 4 | 1 | 4 | 4.0 | O=C(O)C[C@@H]1COc2cc3c(cc21)OCC(c1cccc(C2CC2)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381291 | 89951 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 352 | 4 | 1 | 4 | 4.0 | O=C(O)C[C@@H]1COc2cc3c(cc21)OCC(c1cccc(C2CC2)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| 155535186 | 171984 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 369 | 7 | 2 | 3 | 4.7 | O=C(O)COc1ccc(NCc2cccc(-c3ccccc3F)c2)cc1F | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL4471403 | 171984 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 369 | 7 | 2 | 3 | 4.7 | O=C(O)COc1ccc(NCc2cccc(-c3ccccc3F)c2)cc1F | 10.1016/j.ejmech.2019.06.087 | ||
| 168276253 | 190429 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 396 | 9 | 1 | 4 | 4.9 | CCOc1ccc(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)cc1 | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL5178528 | 190429 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 396 | 9 | 1 | 4 | 4.9 | CCOc1ccc(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)cc1 | 10.1016/j.bmc.2022.116615 | ||
| 67058186 | 119099 | 1 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 368 | 8 | 1 | 3 | 5.1 | CCO[C@H](CC(=O)O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 | 10.1021/ml500391n | ||
| CHEMBL3427704 | 119099 | 1 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 368 | 8 | 1 | 3 | 5.1 | CCO[C@H](CC(=O)O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 | 10.1021/ml500391n | ||
| 57394144 | 69822 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 356 | 6 | 1 | 2 | 5.7 | CC#CC(CC(=O)O)c1ccc(Oc2cccc(-c3ccccc3)c2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| CHEMBL1938409 | 69822 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 356 | 6 | 1 | 2 | 5.7 | CC#CC(CC(=O)O)c1ccc(Oc2cccc(-c3ccccc3)c2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| 67058186 | 119099 | 1 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 368 | 8 | 1 | 3 | 5.1 | CCO[C@H](CC(=O)O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3427704 | 119099 | 1 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 368 | 8 | 1 | 3 | 5.1 | CCO[C@H](CC(=O)O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 58218581 | 159100 | 0 | None | 8 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 365 | 5 | 1 | 3 | 5.2 | O=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccc(Cl)cc2Cl)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4097826 | 159100 | 0 | None | 8 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 365 | 5 | 1 | 3 | 5.2 | O=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccc(Cl)cc2Cl)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 90151400 | 156111 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 513 | 6 | 1 | 5 | 5.7 | C[C@@H]1C(C(F)(F)F)=NN(c2ccc(OC3CCN(c4cc(F)ccc4Cl)CC3)cc2)[C@H]1CC(=O)O | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4063492 | 156111 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 513 | 6 | 1 | 5 | 5.7 | C[C@@H]1C(C(F)(F)F)=NN(c2ccc(OC3CCN(c4cc(F)ccc4Cl)CC3)cc2)[C@H]1CC(=O)O | 10.1021/acs.jmedchem.7b00982 | ||
| 90151222 | 156881 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 509 | 6 | 1 | 5 | 5.9 | Cc1ccc(Cl)c(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4072229 | 156881 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 509 | 6 | 1 | 5 | 5.9 | Cc1ccc(Cl)c(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| 132578495 | 182862 | 2 | None | -13 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4792027 | 182862 | 2 | None | -13 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 23136477 | 58800 | 3 | None | -15 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 332 | 7 | 1 | 2 | 5.0 | O=C(O)CCc1ccc(OCc2ccccc2-c2ccccc2)cc1 | 10.1021/jm101405t | ||
| CHEMBL1688455 | 58800 | 3 | None | -15 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 332 | 7 | 1 | 2 | 5.0 | O=C(O)CCc1ccc(OCc2ccccc2-c2ccccc2)cc1 | 10.1021/jm101405t | ||
| CHEMBL4213909 | 58800 | 3 | None | -15 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 332 | 7 | 1 | 2 | 5.0 | O=C(O)CCc1ccc(OCc2ccccc2-c2ccccc2)cc1 | 10.1021/jm101405t | ||
| 853224 | 94546 | 11 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 348 | 6 | 1 | 6 | 4.2 | O=C(O)CSc1nnc(SCc2cccc3ccccc23)s1 | 10.1021/jm7012425 | ||
| CHEMBL251963 | 94546 | 11 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 348 | 6 | 1 | 6 | 4.2 | O=C(O)CSc1nnc(SCc2cccc3ccccc23)s1 | 10.1021/jm7012425 | ||
| 134154473 | 152350 | 0 | None | -218 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 370 | 6 | 1 | 3 | 5.0 | O=C(O)CC[C@H]1CCc2cc(-c3cc(OC4CCC4)ccc3F)ccc2O1 | 10.1021/acsmedchemlett.6b00394 | ||
| CHEMBL3970238 | 152350 | 0 | None | -218 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 370 | 6 | 1 | 3 | 5.0 | O=C(O)CC[C@H]1CCc2cc(-c3cc(OC4CCC4)ccc3F)ccc2O1 | 10.1021/acsmedchemlett.6b00394 | ||
| 1051 | 1443 | 63 | None | -14 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | 10.1021/ml300133f | ||
| 4289 | 1443 | 63 | None | -14 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | 10.1021/ml300133f | ||
| 445580 | 1443 | 63 | None | -14 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | 10.1021/ml300133f | ||
| 57417355 | 1443 | 63 | None | -14 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | 10.1021/ml300133f | ||
| CHEMBL367149 | 1443 | 63 | None | -14 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | 10.1021/ml300133f | ||
| DB03756 | 1443 | 63 | None | -14 | 2 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | 10.1021/ml300133f | ||
| 90151309 | 155920 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 509 | 7 | 1 | 6 | 5.1 | COc1ccc(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)cc1F | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4061146 | 155920 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 509 | 7 | 1 | 6 | 5.1 | COc1ccc(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)cc1F | 10.1021/acs.jmedchem.7b00982 | ||
| 145979602 | 166488 | 0 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 466 | 11 | 1 | 6 | 3.4 | CS(=O)(=O)CCCOc1ccc2c(c1)OC(COc1ccc(CCC(=O)O)c(F)c1)CC2 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4278799 | 166488 | 0 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 466 | 11 | 1 | 6 | 3.4 | CS(=O)(=O)CCCOc1ccc2c(c1)OC(COc1ccc(CCC(=O)O)c(F)c1)CC2 | 10.1016/j.bmc.2018.10.019 | ||
| 145977668 | 163855 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 7 | 1 | 6 | 3.7 | Cc1noc(C)c1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1C | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4206915 | 163855 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 7 | 1 | 6 | 3.7 | Cc1noc(C)c1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1C | 10.1016/j.ejmech.2017.07.001 | ||
| 73345870 | 90347 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 404 | 8 | 1 | 4 | 2.8 | CS(=O)(=O)CCOCc1cccc(C#Cc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/ml4000673 | ||
| CHEMBL2386369 | 90347 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 404 | 8 | 1 | 4 | 2.8 | CS(=O)(=O)CCOCc1cccc(C#Cc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/ml4000673 | ||
| 54586982 | 61769 | 1 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 254 | 6 | 1 | 1 | 3.5 | O=C(O)CCc1ccc(CCc2ccccc2)cc1 | 10.1021/ml100106c | ||
| CHEMBL1773248 | 61769 | 1 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 254 | 6 | 1 | 1 | 3.5 | O=C(O)CCc1ccc(CCc2ccccc2)cc1 | 10.1021/ml100106c | ||
| 145974382 | 164516 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 367 | 7 | 2 | 5 | 3.4 | O=C(O)CCc1ccc(NC(=O)c2nnc(Cc3ccccc3)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| CHEMBL4215054 | 164516 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 367 | 7 | 2 | 5 | 3.4 | O=C(O)CCc1ccc(NC(=O)c2nnc(Cc3ccccc3)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| 127051975 | 140268 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 417 | 8 | 2 | 6 | 4.0 | O=C(O)CCc1ccc(OCc2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 | 10.1016/j.bmc.2016.04.065 | ||
| CHEMBL3805971 | 140268 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 417 | 8 | 2 | 6 | 4.0 | O=C(O)CCc1ccc(OCc2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 | 10.1016/j.bmc.2016.04.065 | ||
| 131986075 | 163885 | 0 | None | -2 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 466 | 7 | 1 | 7 | 5.1 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4cncnc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4207273 | 163885 | 0 | None | -2 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 466 | 7 | 1 | 7 | 5.1 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4cncnc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 118645367 | 181638 | 0 | None | 5 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 516 | 10 | 1 | 5 | 7.0 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4776217 | 181638 | 0 | None | 5 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 516 | 10 | 1 | 5 | 7.0 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2019.06.087 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2019.06.087 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2019.06.087 | ||
| 66562289 | 138994 | 0 | None | 707 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 246 | 3 | 1 | 1 | 3.2 | C/C=C(\C)C#Cc1ccc(CCC(=O)O)c(F)c1 | 10.1021/acs.jmedchem.5b01962 | ||
| CHEMBL3785764 | 138994 | 0 | None | 707 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 246 | 3 | 1 | 1 | 3.2 | C/C=C(\C)C#Cc1ccc(CCC(=O)O)c(F)c1 | 10.1021/acs.jmedchem.5b01962 | ||
| 127046960 | 139966 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 369 | 7 | 1 | 4 | 4.7 | Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.bmcl.2019.04.019 | ||
| CHEMBL3799946 | 139966 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 369 | 7 | 1 | 4 | 4.7 | Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.bmcl.2019.04.019 | ||
| CHEMBL4227915 | 139966 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 369 | 7 | 1 | 4 | 4.7 | Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.bmcl.2019.04.019 | ||
| 142738567 | 162518 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 299 | 4 | 2 | 1 | 4.5 | O=C(O)CCc1ccc2[nH]c(-c3cccc(Cl)c3)cc2c1 | 10.1021/acsmedchemlett.7b00460 | ||
| CHEMBL4168059 | 162518 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 299 | 4 | 2 | 1 | 4.5 | O=C(O)CCc1ccc2[nH]c(-c3cccc(Cl)c3)cc2c1 | 10.1021/acsmedchemlett.7b00460 | ||
| 58380220 | 111229 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 520 | 8 | 1 | 6 | 5.9 | COc1cc(-c2ccc(COc3cc4c(cn3)CC[C@]43C[C@H]3C(=O)O)cc2[C@H](OC)C(C)(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| CHEMBL3265151 | 111229 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 520 | 8 | 1 | 6 | 5.9 | COc1cc(-c2ccc(COc3cc4c(cn3)CC[C@]43C[C@H]3C(=O)O)cc2[C@H](OC)C(C)(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| 57706588 | 80641 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 476 | 9 | 1 | 3 | 7.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C(C)(C)C)c1 | 10.1021/ml300133f | ||
| CHEMBL2151298 | 80641 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 476 | 9 | 1 | 3 | 7.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C(C)(C)C)c1 | 10.1021/ml300133f | ||
| 58172957 | 111633 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 314 | 8 | 1 | 3 | 4.1 | CCOC(CC(=O)O)c1ccc(OCc2ccc(C)cc2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3286417 | 111633 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 314 | 8 | 1 | 3 | 4.1 | CCOC(CC(=O)O)c1ccc(OCc2ccc(C)cc2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 58172957 | 111633 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 314 | 8 | 1 | 3 | 4.1 | CCOC(CC(=O)O)c1ccc(OCc2ccc(C)cc2)cc1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3286417 | 111633 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 314 | 8 | 1 | 3 | 4.1 | CCOC(CC(=O)O)c1ccc(OCc2ccc(C)cc2)cc1 | 10.1016/j.bmcl.2014.04.065 | ||
| 90151283 | 159459 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 494 | 6 | 1 | 6 | 4.8 | Cc1ccc(F)c(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)n1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4101678 | 159459 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 494 | 6 | 1 | 6 | 4.8 | Cc1ccc(F)c(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)n1 | 10.1021/acs.jmedchem.7b00982 | ||
| 54585512 | 62133 | 0 | None | -1 | 2 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 335 | 5 | 1 | 4 | 3.0 | CC#CC(c1ccc(OCc2ccccc2)cc1)C1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777871 | 62133 | 0 | None | -1 | 2 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 335 | 5 | 1 | 4 | 3.0 | CC#CC(c1ccc(OCc2ccccc2)cc1)C1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| 73348895 | 90350 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 418 | 9 | 1 | 4 | 3.2 | CS(=O)(=O)CCCOCc1cccc(C#Cc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/ml4000673 | ||
| CHEMBL2386371 | 90350 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 418 | 9 | 1 | 4 | 3.2 | CS(=O)(=O)CCCOCc1cccc(C#Cc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/ml4000673 | ||
| 25150018 | 185408 | 1 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 266 | 3 | 1 | 2 | 2.9 | Cc1ccccc1C#Cc1ccc(OCC(=O)O)cc1 | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL486145 | 185408 | 1 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 266 | 3 | 1 | 2 | 2.9 | Cc1ccccc1C#Cc1ccc(OCC(=O)O)cc1 | 10.1016/j.ejmech.2019.06.087 | ||
| 25150018 | 185408 | 1 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 266 | 3 | 1 | 2 | 2.9 | Cc1ccccc1C#Cc1ccc(OCC(=O)O)cc1 | 10.1021/jm8010178 | ||
| CHEMBL486145 | 185408 | 1 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 266 | 3 | 1 | 2 | 2.9 | Cc1ccccc1C#Cc1ccc(OCC(=O)O)cc1 | 10.1021/jm8010178 | ||
| 145990731 | 166996 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 328 | 4 | 1 | 2 | 4.4 | O=C(O)C#Cc1ccc(OCc2cccc(-c3ccccc3)c2)cc1 | 10.1016/j.ejmech.2018.08.075 | ||
| CHEMBL4288438 | 166996 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 328 | 4 | 1 | 2 | 4.4 | O=C(O)C#Cc1ccc(OCc2cccc(-c3ccccc3)c2)cc1 | 10.1016/j.ejmech.2018.08.075 | ||
| 137637576 | 156039 | 0 | None | -63 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 298 | 6 | 1 | 2 | 4.2 | Cc1cc(C)cc(COc2ccc(CCC(=O)O)cc2C)c1 | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4062640 | 156039 | 0 | None | -63 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 298 | 6 | 1 | 2 | 4.2 | Cc1cc(C)cc(COc2ccc(CCC(=O)O)cc2C)c1 | 10.1016/j.bmcl.2017.01.034 | ||
| 23083193 | 58807 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 362 | 8 | 1 | 3 | 5.4 | Cc1ccccc1Oc1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| CHEMBL1688461 | 58807 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 362 | 8 | 1 | 3 | 5.4 | Cc1ccccc1Oc1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| 118645756 | 181438 | 7 | None | 1 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 479 | 11 | 1 | 6 | 5.4 | COc1cc(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2CC(C)C)c(F)cn1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4764485 | 181438 | 7 | None | 1 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 479 | 11 | 1 | 6 | 5.4 | COc1cc(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2CC(C)C)c(F)cn1 | 10.1016/j.bmcl.2018.01.013 | ||
| 90644286 | 111926 | 0 | None | -10 | 2 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 361 | 7 | 1 | 3 | 5.0 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288344 | 111926 | 0 | None | -10 | 2 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 361 | 7 | 1 | 3 | 5.0 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 71562639 | 86492 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 294 | 5 | 1 | 2 | 3.3 | COCc1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm301470a | ||
| CHEMBL2315252 | 86492 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 294 | 5 | 1 | 2 | 3.3 | COCc1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm301470a | ||
| 66562392 | 90343 | 0 | None | 83 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 336 | 3 | 1 | 1 | 4.6 | O=C(O)CCc1ccc(C#Cc2cc(Cl)cc(Cl)c2)cc1F | 10.1021/ml4000673 | ||
| CHEMBL2386365 | 90343 | 0 | None | 83 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 336 | 3 | 1 | 1 | 4.6 | O=C(O)CCc1ccc(C#Cc2cc(Cl)cc(Cl)c2)cc1F | 10.1021/ml4000673 | ||
| 145947987 | 167710 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 351 | 7 | 1 | 4 | 4.6 | Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1016/j.bmc.2017.12.030 | ||
| CHEMBL4228673 | 167710 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 351 | 7 | 1 | 4 | 4.6 | Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1016/j.bmc.2017.12.030 | ||
| CHEMBL4302779 | 167710 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 351 | 7 | 1 | 4 | 4.6 | Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1016/j.bmc.2017.12.030 | ||
| 23111781 | 74021 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 388 | 6 | 1 | 3 | 5.5 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1016/j.bmc.2016.03.014 | ||
| CHEMBL2022247 | 74021 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 388 | 6 | 1 | 3 | 5.5 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1016/j.bmc.2016.03.014 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2014.11.016 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2014.11.016 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2014.11.016 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2014.11.016 | ||
| 147747458 | 170557 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 437 | 10 | 2 | 4 | 6.0 | CCCOc1cc(C)c(-c2cccc(CNc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL4450552 | 170557 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 437 | 10 | 2 | 4 | 6.0 | CCCOc1cc(C)c(-c2cccc(CNc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| 71615668 | 89973 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 416 | 4 | 1 | 4 | 5.4 | Cc1ccc(-c2cccc(C3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c(C)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381313 | 89973 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 416 | 4 | 1 | 4 | 5.4 | Cc1ccc(-c2cccc(C3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c(C)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| 127045657 | 139862 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 403 | 7 | 1 | 4 | 5.3 | Cc1noc(C)c1-c1cc(Cl)cc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3799341 | 139862 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 403 | 7 | 1 | 4 | 5.3 | Cc1noc(C)c1-c1cc(Cl)cc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| 57787398 | 143726 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 448 | 9 | 2 | 7 | 3.1 | Cc1cc(OCCO)ccc1-c1cccc(COc2ccc(Cn3oc(=O)[nH]c3=O)cc2)c1 | 10.1016/j.bmcl.2016.10.074 | ||
| CHEMBL3900797 | 143726 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 448 | 9 | 2 | 7 | 3.1 | Cc1cc(OCCO)ccc1-c1cccc(COc2ccc(Cn3oc(=O)[nH]c3=O)cc2)c1 | 10.1016/j.bmcl.2016.10.074 | ||
| 67972848 | 166618 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 356 | 4 | 1 | 2 | 5.0 | Cc1cccc(C)c1-c1cccc(COc2ccc(C#CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2018.08.075 | ||
| CHEMBL4281238 | 166618 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 356 | 4 | 1 | 2 | 5.0 | Cc1cccc(C)c1-c1cccc(COc2ccc(C#CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2018.08.075 | ||
| 122185432 | 122637 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 350 | 8 | 1 | 3 | 4.4 | CCOC(c1ccc(OCc2ccccc2C)cc1)C(F)(F)C(=O)O | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604030 | 122637 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 350 | 8 | 1 | 3 | 4.4 | CCOC(c1ccc(OCc2ccccc2C)cc1)C(F)(F)C(=O)O | 10.1016/j.bmc.2015.07.028 | ||
| 137660172 | 159089 | 0 | None | 1 | 2 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 357 | 5 | 1 | 4 | 4.4 | C[C@@H](Cc1ccc(-c2ccc3cnn(-c4ccccn4)c3c2)cc1)C(=O)O | 10.1021/acs.jmedchem.7b00210 | ||
| CHEMBL4097652 | 159089 | 0 | None | 1 | 2 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 357 | 5 | 1 | 4 | 4.4 | C[C@@H](Cc1ccc(-c2ccc3cnn(-c4ccccn4)c3c2)cc1)C(=O)O | 10.1021/acs.jmedchem.7b00210 | ||
| 71460255 | 80767 | 0 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 420 | 9 | 1 | 3 | 6.0 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2)c1 | 10.1021/ml300133f | ||
| CHEMBL2152069 | 80767 | 0 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 420 | 9 | 1 | 3 | 6.0 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2)c1 | 10.1021/ml300133f | ||
| 118638010 | 167541 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 480 | 7 | 1 | 5 | 5.7 | COc1cc(-c2cnc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4165008 | 167541 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 480 | 7 | 1 | 5 | 5.7 | COc1cc(-c2cnc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4300503 | 167541 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 480 | 7 | 1 | 5 | 5.7 | COc1cc(-c2cnc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 90372613 | 167720 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 443 | 7 | 1 | 4 | 6.0 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4166625 | 167720 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 443 | 7 | 1 | 4 | 6.0 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4302869 | 167720 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 443 | 7 | 1 | 4 | 6.0 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 23136401 | 159111 | 0 | None | -7 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 362 | 8 | 1 | 3 | 5.4 | Cc1cc(CCC(=O)O)ccc1OCc1cccc(Oc2ccccc2)c1 | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4097919 | 159111 | 0 | None | -7 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 362 | 8 | 1 | 3 | 5.4 | Cc1cc(CCC(=O)O)ccc1OCc1cccc(Oc2ccccc2)c1 | 10.1016/j.bmcl.2017.01.034 | ||
| 145981599 | 166431 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 370 | 7 | 1 | 4 | 4.4 | CC(C)(C)c1cccc(OCCOc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1016/j.ejmech.2018.09.071 | ||
| CHEMBL4277858 | 166431 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 370 | 7 | 1 | 4 | 4.4 | CC(C)(C)c1cccc(OCCOc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1016/j.ejmech.2018.09.071 | ||
| 137629794 | 161158 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 545 | 12 | 1 | 7 | 5.3 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ncccn3)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4093571 | 161158 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 545 | 12 | 1 | 7 | 5.3 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ncccn3)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4117644 | 161158 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 545 | 12 | 1 | 7 | 5.3 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ncccn3)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| 145993490 | 167326 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 429 | 7 | 1 | 7 | 3.3 | Cn1nncc1C(CC(=O)O)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4294530 | 167326 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 429 | 7 | 1 | 7 | 3.3 | Cn1nncc1C(CC(=O)O)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 118144973 | 175260 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 460 | 8 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4572891 | 175260 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 460 | 8 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 127031569 | 139159 | 0 | None | 26 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 264 | 4 | 1 | 1 | 3.3 | O=C(O)CCc1ccc(C#CCc2ccccc2)cc1 | 10.1021/acs.jmedchem.5b01962 | ||
| CHEMBL3787580 | 139159 | 0 | None | 26 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 264 | 4 | 1 | 1 | 3.3 | O=C(O)CCc1ccc(C#CCc2ccccc2)cc1 | 10.1021/acs.jmedchem.5b01962 | ||
| 118719474 | 115510 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 512 | 12 | 1 | 6 | 5.2 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(OC(C)C(=O)O)cc2)c1 | 10.1016/j.bmc.2014.11.016 | ||
| CHEMBL3353262 | 115510 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 512 | 12 | 1 | 6 | 5.2 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(OC(C)C(=O)O)cc2)c1 | 10.1016/j.bmc.2014.11.016 | ||
| 54757623 | 65306 | 1 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 257 | 3 | 1 | 3 | 2.6 | O=C(O)CCc1ccc(C#Cc2cncs2)cc1 | 10.1021/jm2005699 | ||
| CHEMBL1829154 | 65306 | 1 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 257 | 3 | 1 | 3 | 2.6 | O=C(O)CCc1ccc(C#Cc2cncs2)cc1 | 10.1021/jm2005699 | ||
| 57414404 | 75587 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 536 | 8 | 1 | 6 | 5.5 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047154 | 75587 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 536 | 8 | 1 | 6 | 5.5 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 131986130 | 164401 | 0 | None | -1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 572 | 11 | 1 | 7 | 7.0 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(Cl)c(-c4ccc(OCCOC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4213597 | 164401 | 0 | None | -1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 572 | 11 | 1 | 7 | 7.0 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(Cl)c(-c4ccc(OCCOC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 145953365 | 162437 | 0 | None | -1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 467 | 8 | 2 | 3 | 5.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4166892 | 162437 | 0 | None | -1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 467 | 8 | 2 | 3 | 5.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 23111666 | 74027 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 416 | 6 | 1 | 4 | 6.1 | O=C(O)CC1COc2cc(OCc3cccc(-c4csc5ccccc45)c3)ccc21 | 10.1021/jm2012968 | ||
| CHEMBL2022253 | 74027 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 416 | 6 | 1 | 4 | 6.1 | O=C(O)CC1COc2cc(OCc3cccc(-c4csc5ccccc45)c3)ccc21 | 10.1021/jm2012968 | ||
| 58230552 | 182195 | 0 | None | -4 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 471 | 8 | 1 | 3 | 6.0 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4783190 | 182195 | 0 | None | -4 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 471 | 8 | 1 | 3 | 6.0 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| 131986136 | 163601 | 0 | None | -3 | 2 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 512 | 8 | 1 | 6 | 6.5 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(F)c3scc(-c4ccc(OC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4203795 | 163601 | 0 | None | -3 | 2 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 512 | 8 | 1 | 6 | 6.5 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(F)c3scc(-c4ccc(OC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 24857286 | 1611 | 72 | None | -28 | 3 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acsmedchemlett.8b00444 | ||
| 6484 | 1611 | 72 | None | -28 | 3 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL1829174 | 1611 | 72 | None | -28 | 3 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acsmedchemlett.8b00444 | ||
| DB12491 | 1611 | 72 | None | -28 | 3 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acsmedchemlett.8b00444 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2018.08.075 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2018.08.075 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2018.08.075 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2018.08.075 | ||
| 71613313 | 89967 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 402 | 4 | 1 | 4 | 5.1 | Cc1ccccc1-c1cccc([C@@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381307 | 89967 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 402 | 4 | 1 | 4 | 5.1 | Cc1ccccc1-c1cccc([C@@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| 145988414 | 165190 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 413 | 6 | 1 | 5 | 5.1 | Cc1noc(C)c1-c1ccc(Cl)c(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1016/j.bmc.2017.12.030 | ||
| CHEMBL4229006 | 165190 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 413 | 6 | 1 | 5 | 5.1 | Cc1noc(C)c1-c1ccc(Cl)c(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1016/j.bmc.2017.12.030 | ||
| 24825485 | 87999 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 343 | 6 | 2 | 2 | 5.2 | O=C(O)C1CC1c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| CHEMBL234450 | 87999 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 343 | 6 | 2 | 2 | 5.2 | O=C(O)C1CC1c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| 71562769 | 86496 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 289 | 3 | 1 | 2 | 3.3 | Cc1ccc(C#N)cc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315256 | 86496 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 289 | 3 | 1 | 2 | 3.3 | Cc1ccc(C#N)cc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm301470a | ||
| 44409665 | 75562 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 388 | 9 | 2 | 3 | 5.5 | CC(C)NC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL204671 | 75562 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 388 | 9 | 2 | 3 | 5.5 | CC(C)NC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 168271642 | 190289 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 486 | 11 | 1 | 4 | 6.5 | Cc1ccc(OCCc2ccccc2)cc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL5176157 | 190289 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 486 | 11 | 1 | 4 | 6.5 | Cc1ccc(OCCc2ccccc2)cc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| 168288738 | 191384 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 446 | 9 | 1 | 4 | 6.1 | CCOc1ccc2cc(-c3cccc(COc4ccc(OCC(=O)O)c(F)c4)c3)ccc2c1 | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL5192621 | 191384 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 446 | 9 | 1 | 4 | 6.1 | CCOc1ccc2cc(-c3cccc(COc4ccc(OCC(=O)O)c(F)c4)c3)ccc2c1 | 10.1016/j.bmc.2022.116615 | ||
| 137653172 | 158509 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 480 | 6 | 1 | 6 | 4.5 | C[C@@H]1C(C(F)(F)F)=NN(c2ccc(OC3CCN(c4cccc(F)n4)CC3)cc2)[C@H]1CC(=O)O | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4091456 | 158509 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 480 | 6 | 1 | 6 | 4.5 | C[C@@H]1C(C(F)(F)F)=NN(c2ccc(OC3CCN(c4cccc(F)n4)CC3)cc2)[C@H]1CC(=O)O | 10.1021/acs.jmedchem.7b00982 | ||
| 145955263 | 162517 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 414 | 6 | 2 | 3 | 6.1 | O=C(O)C[C@H](c1ccc2c(c1)OC(c1ccc(-c3cccc(O)c3)cc1)CC2)C1CC1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4168048 | 162517 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 414 | 6 | 2 | 3 | 6.1 | O=C(O)C[C@H](c1ccc2c(c1)OC(c1ccc(-c3cccc(O)c3)cc1)CC2)C1CC1 | 10.1021/acsmedchemlett.8b00149 | ||
| 57706778 | 80768 | 29 | None | -8 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL2152070 | 80768 | 29 | None | -8 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 57706778 | 80768 | 29 | None | -8 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL2152070 | 80768 | 29 | None | -8 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 137640728 | 157008 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 406 | 8 | 1 | 3 | 6.6 | Cc1cccc(C)c1-c1cccc(COc2ccc(C(CC(=O)O)C3CC3)s2)c1 | 10.1021/acs.jmedchem.6b01357 | ||
| CHEMBL4073587 | 157008 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 406 | 8 | 1 | 3 | 6.6 | Cc1cccc(C)c1-c1cccc(COc2ccc(C(CC(=O)O)C3CC3)s2)c1 | 10.1021/acs.jmedchem.6b01357 | ||
| 54581633 | 62131 | 0 | None | -2 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 331 | 5 | 1 | 3 | 4.6 | CC#CC(CC(=O)O)c1ccc(Oc2nccc3ccccc23)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777869 | 62131 | 0 | None | -2 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 331 | 5 | 1 | 3 | 4.6 | CC#CC(CC(=O)O)c1ccc(Oc2nccc3ccccc23)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 155530636 | 171511 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 438 | 11 | 2 | 6 | 4.3 | CO/N=C(\COc1ccc(CNc2ccc(OCC(=O)O)c(F)c2)cc1)c1ccccc1 | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL4464317 | 171511 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 438 | 11 | 2 | 6 | 4.3 | CO/N=C(\COc1ccc(CNc2ccc(OCC(=O)O)c(F)c2)cc1)c1ccccc1 | 10.1016/j.ejmech.2019.06.087 | ||
| 24825480 | 87960 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | O=C(O)CCc1cccc(NCc2cccc(Oc3ccccc3)c2)c1 | 10.1016/j.bmcl.2006.12.084 | ||
| CHEMBL234267 | 87960 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | O=C(O)CCc1cccc(NCc2cccc(Oc3ccccc3)c2)c1 | 10.1016/j.bmcl.2006.12.084 | ||
| 145979123 | 166442 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 370 | 5 | 1 | 2 | 5.5 | CC(C)c1ccccc1-c1cccc(COc2ccc(C#CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2018.08.075 | ||
| CHEMBL4278085 | 166442 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 370 | 5 | 1 | 2 | 5.5 | CC(C)c1ccccc1-c1cccc(COc2ccc(C#CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2018.08.075 | ||
| 24825483 | 76851 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 333 | 7 | 2 | 3 | 4.7 | O=C(O)Cc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| CHEMBL206972 | 76851 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 333 | 7 | 2 | 3 | 4.7 | O=C(O)Cc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| 24825495 | 88004 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 289 | 6 | 2 | 2 | 4.0 | O=C(O)CCc1ccc(NCc2ccccc2Cl)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| CHEMBL234469 | 88004 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 289 | 6 | 2 | 2 | 4.0 | O=C(O)CCc1ccc(NCc2ccccc2Cl)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| 24825496 | 88005 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 269 | 6 | 2 | 2 | 3.6 | Cc1ccc(CNc2ccc(CCC(=O)O)cc2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| CHEMBL234470 | 88005 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 269 | 6 | 2 | 2 | 3.6 | Cc1ccc(CNc2ccc(CCC(=O)O)cc2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| 137637576 | 156039 | 0 | None | -63 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 298 | 6 | 1 | 2 | 4.2 | Cc1cc(C)cc(COc2ccc(CCC(=O)O)cc2C)c1 | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4062640 | 156039 | 0 | None | -63 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 298 | 6 | 1 | 2 | 4.2 | Cc1cc(C)cc(COc2ccc(CCC(=O)O)cc2C)c1 | 10.1016/j.bmcl.2017.01.034 | ||
| 23136401 | 159111 | 0 | None | -7 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 362 | 8 | 1 | 3 | 5.4 | Cc1cc(CCC(=O)O)ccc1OCc1cccc(Oc2ccccc2)c1 | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4097919 | 159111 | 0 | None | -7 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 362 | 8 | 1 | 3 | 5.4 | Cc1cc(CCC(=O)O)ccc1OCc1cccc(Oc2ccccc2)c1 | 10.1016/j.bmcl.2017.01.034 | ||
| 168285919 | 191650 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 534 | 9 | 2 | 5 | 6.7 | Cc1cc(OCCC(C)(C)O)cc(C)c1-c1ccc(F)c2c1CC[C@@H]2Oc1ccc2c(c1)OC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2021.127969 | ||
| CHEMBL5196447 | 191650 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 534 | 9 | 2 | 5 | 6.7 | Cc1cc(OCCC(C)(C)O)cc(C)c1-c1ccc(F)c2c1CC[C@@H]2Oc1ccc2c(c1)OC[C@@H]2CC(=O)O | 10.1016/j.bmcl.2021.127969 | ||
| 134538585 | 163611 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 518 | 9 | 3 | 5 | 6.3 | Cc1cc(OCCC(C)(C)O)cc(C)c1-c1ccc(F)c2c1CC[C@H]2Nc1ccc([C@H]2C[C@@H]2C(=O)O)nc1 | 10.1021/acsmedchemlett.8b00343 | ||
| CHEMBL4203974 | 163611 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 518 | 9 | 3 | 5 | 6.3 | Cc1cc(OCCC(C)(C)O)cc(C)c1-c1ccc(F)c2c1CC[C@H]2Nc1ccc([C@H]2C[C@@H]2C(=O)O)nc1 | 10.1021/acsmedchemlett.8b00343 | ||
| 145976639 | 163791 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 523 | 6 | 2 | 5 | 6.2 | Cc1cc(-c2cccc(=O)n2C)cc(C)c1-c1ccc(F)c2c1CC[C@H]2Nc1ccc([C@H]2C[C@@H]2C(=O)O)nc1 | 10.1021/acsmedchemlett.8b00343 | ||
| CHEMBL4206195 | 163791 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 523 | 6 | 2 | 5 | 6.2 | Cc1cc(-c2cccc(=O)n2C)cc(C)c1-c1ccc(F)c2c1CC[C@H]2Nc1ccc([C@H]2C[C@@H]2C(=O)O)nc1 | 10.1021/acsmedchemlett.8b00343 | ||
| 131986295 | 163518 | 0 | None | 2 | 2 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 538 | 11 | 1 | 7 | 6.3 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCCOC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4202907 | 163518 | 0 | None | 2 | 2 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 538 | 11 | 1 | 7 | 6.3 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCCOC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 131986030 | 164790 | 0 | None | 1 | 2 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 566 | 11 | 2 | 7 | 6.9 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCCC(C)(C)O)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4218596 | 164790 | 0 | None | 1 | 2 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 566 | 11 | 2 | 7 | 6.9 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCCC(C)(C)O)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 134465785 | 176087 | 0 | None | 15 | 2 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 426 | 9 | 1 | 3 | 6.2 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@@H](CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4591657 | 176087 | 0 | None | 15 | 2 | Rat | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 426 | 9 | 1 | 3 | 6.2 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@@H](CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 162673875 | 182962 | 0 | None | -13 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 505 | 8 | 1 | 3 | 6.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4793371 | 182962 | 0 | None | -13 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 505 | 8 | 1 | 3 | 6.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 68194449 | 182790 | 0 | None | -4 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 498 | 8 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cnc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4790921 | 182790 | 0 | None | -4 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 498 | 8 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cnc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 90372625 | 167697 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 444 | 7 | 1 | 5 | 5.4 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4159022 | 167697 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 444 | 7 | 1 | 5 | 5.4 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4302640 | 167697 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 444 | 7 | 1 | 5 | 5.4 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 44409703 | 141176 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 431 | 6 | 2 | 4 | 5.3 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(N)=O)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL382831 | 141176 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 431 | 6 | 2 | 4 | 5.3 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(N)=O)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 57413373 | 75798 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 466 | 12 | 1 | 4 | 6.1 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048618 | 75798 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 466 | 12 | 1 | 4 | 6.1 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| 118645526 | 182956 | 0 | None | 3 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 517 | 10 | 1 | 6 | 5.8 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2N2CC3(CCC3)C2)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4793322 | 182956 | 0 | None | 3 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 517 | 10 | 1 | 6 | 5.8 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2N2CC3(CCC3)C2)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| 118144973 | 175260 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 460 | 8 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4572891 | 175260 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 460 | 8 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 67087100 | 182574 | 0 | None | -11 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 576 | 8 | 1 | 4 | 6.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C(F)(F)F)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4788206 | 182574 | 0 | None | -11 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 576 | 8 | 1 | 4 | 6.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C(F)(F)F)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 164616320 | 185021 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 333 | 4 | 2 | 1 | 5.2 | O=C(O)CCc1ccc2[nH]c(-c3cccc(Cl)c3Cl)cc2c1 | 10.1021/acs.jmedchem.1c00031 | ||
| CHEMBL4855306 | 185021 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 333 | 4 | 2 | 1 | 5.2 | O=C(O)CCc1ccc2[nH]c(-c3cccc(Cl)c3Cl)cc2c1 | 10.1021/acs.jmedchem.1c00031 | ||
| 147146439 | 171261 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 365 | 7 | 2 | 3 | 4.9 | Cc1ccccc1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL4460582 | 171261 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 365 | 7 | 2 | 3 | 4.9 | Cc1ccccc1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| 44409722 | 140991 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 5.9 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(=O)O)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL382381 | 140991 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 432 | 6 | 2 | 4 | 5.9 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(=O)O)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 162674654 | 183431 | 0 | None | -9 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 525 | 8 | 1 | 3 | 7.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4798993 | 183431 | 0 | None | -9 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 525 | 8 | 1 | 3 | 7.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 134465730 | 172779 | 0 | None | 1 | 2 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 440 | 9 | 1 | 3 | 6.4 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@@H](C)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4513748 | 172779 | 0 | None | 1 | 2 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 440 | 9 | 1 | 3 | 6.4 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@@H](C)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 51349992 | 58804 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 362 | 8 | 1 | 3 | 5.4 | Cc1ccc(Oc2cccc(COc3ccc(CCC(=O)O)cc3)c2)cc1 | 10.1021/jm101405t | ||
| CHEMBL1688459 | 58804 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 362 | 8 | 1 | 3 | 5.4 | Cc1ccc(Oc2cccc(COc3ccc(CCC(=O)O)cc3)c2)cc1 | 10.1021/jm101405t | ||
| 146840871 | 169501 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4ccc(OC)cc4)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| CHEMBL4434996 | 169501 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4ccc(OC)cc4)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| 23083189 | 75790 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 374 | 7 | 1 | 2 | 5.9 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1C | 10.1021/jm2016123 | ||
| CHEMBL2048610 | 75790 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 374 | 7 | 1 | 2 | 5.9 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1C | 10.1021/jm2016123 | ||
| 71562638 | 86491 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 294 | 5 | 1 | 2 | 3.3 | COCc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315251 | 86491 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 294 | 5 | 1 | 2 | 3.3 | COCc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm301470a | ||
| 54669771 | 65322 | 8 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 319 | 3 | 1 | 2 | 3.8 | O=C(O)CCc1ccc(C#Cc2cc(Cl)nc(Cl)c2)cc1 | 10.1021/jm2005699 | ||
| CHEMBL1829170 | 65322 | 8 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 319 | 3 | 1 | 2 | 3.8 | O=C(O)CCc1ccc(C#Cc2cc(Cl)nc(Cl)c2)cc1 | 10.1021/jm2005699 | ||
| 168285917 | 191649 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 382 | 8 | 1 | 4 | 4.5 | COc1ccc(-c2cccc(OCc3ccc(OCC(=O)O)c(F)c3)c2)cc1 | 10.1016/j.ejmech.2021.114061 | ||
| CHEMBL5196445 | 191649 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 382 | 8 | 1 | 4 | 4.5 | COc1ccc(-c2cccc(OCc3ccc(OCC(=O)O)c(F)c3)c2)cc1 | 10.1016/j.ejmech.2021.114061 | ||
| 155548030 | 173655 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 462 | 7 | 1 | 4 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4cccc(Cl)c4)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| CHEMBL4535007 | 173655 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 462 | 7 | 1 | 4 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4cccc(Cl)c4)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| 75511297 | 122484 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 344 | 7 | 1 | 6 | 4.0 | CC(Oc1ccc(CCC(=O)O)cc1)c1nc(-c2cccs2)no1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3601056 | 122484 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 344 | 7 | 1 | 6 | 4.0 | CC(Oc1ccc(CCC(=O)O)cc1)c1nc(-c2cccs2)no1 | 10.1016/j.bmcl.2015.06.018 | ||
| 71461901 | 80632 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 400 | 8 | 1 | 3 | 5.5 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(-c3cccc(OC)c3)cc2)cc1 | 10.1021/ml300133f | ||
| CHEMBL2151289 | 80632 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 400 | 8 | 1 | 3 | 5.5 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(-c3cccc(OC)c3)cc2)cc1 | 10.1021/ml300133f | ||
| 145946416 | 167517 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 519 | 9 | 1 | 4 | 6.5 | O=C(O)C[C@@H]1COc2cc(OCc3cccc(-c4ccc5c(c4)CCN(CCc4ccccc4)C5)c3)ccc21 | 10.1016/j.bmcl.2018.07.048 | ||
| CHEMBL4248812 | 167517 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 519 | 9 | 1 | 4 | 6.5 | O=C(O)C[C@@H]1COc2cc(OCc3cccc(-c4ccc5c(c4)CCN(CCc4ccccc4)C5)c3)ccc21 | 10.1016/j.bmcl.2018.07.048 | ||
| CHEMBL4300233 | 167517 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 519 | 9 | 1 | 4 | 6.5 | O=C(O)C[C@@H]1COc2cc(OCc3cccc(-c4ccc5c(c4)CCN(CCc4ccccc4)C5)c3)ccc21 | 10.1016/j.bmcl.2018.07.048 | ||
| 118642379 | 142094 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883354 | 142094 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 137636033 | 156152 | 0 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 410 | 9 | 1 | 4 | 6.2 | CCO[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cccc3C)c2)s1 | 10.1021/acs.jmedchem.6b01357 | ||
| CHEMBL4063956 | 156152 | 0 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 410 | 9 | 1 | 4 | 6.2 | CCO[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cccc3C)c2)s1 | 10.1021/acs.jmedchem.6b01357 | ||
| 46232309 | 201064 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 351 | 4 | 1 | 4 | 4.0 | O=C1NC(=O)C(Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2)O1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL602868 | 201064 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 351 | 4 | 1 | 4 | 4.0 | O=C1NC(=O)C(Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2)O1 | 10.1016/j.bmcl.2009.10.052 | ||
| 141747238 | 166420 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 344 | 5 | 1 | 3 | 4.5 | O=C(O)C#Cc1ccc(OCc2ccc(Oc3ccccc3)cc2)cc1 | 10.1016/j.ejmech.2018.08.075 | ||
| CHEMBL4277653 | 166420 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 344 | 5 | 1 | 3 | 4.5 | O=C(O)C#Cc1ccc(OCc2ccc(Oc3ccccc3)cc2)cc1 | 10.1016/j.ejmech.2018.08.075 | ||
| 118637972 | 162293 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 428 | 7 | 1 | 3 | 6.4 | COc1cccc(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4164618 | 162293 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 428 | 7 | 1 | 3 | 6.4 | COc1cccc(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| 118638001 | 142095 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883355 | 142095 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 57521918 | 76247 | 0 | None | 1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 380 | 7 | 1 | 2 | 5.9 | Cc1ccc(-c2ccc(Cl)cc2COc2ccc(CCC(=O)O)cc2)cc1 | 10.1021/jm300215x | ||
| CHEMBL2058531 | 76247 | 0 | None | 1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 380 | 7 | 1 | 2 | 5.9 | Cc1ccc(-c2ccc(Cl)cc2COc2ccc(CCC(=O)O)cc2)cc1 | 10.1021/jm300215x | ||
| 54757513 | 65296 | 1 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 251 | 3 | 1 | 2 | 2.5 | O=C(O)CCc1ccc(C#Cc2ccncc2)cc1 | 10.1021/jm2005699 | ||
| CHEMBL1829145 | 65296 | 1 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 251 | 3 | 1 | 2 | 2.5 | O=C(O)CCc1ccc(C#Cc2ccncc2)cc1 | 10.1021/jm2005699 | ||
| 54582630 | 62128 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 383 | 5 | 1 | 3 | 5.1 | CC#CC(CC(=O)O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777866 | 62128 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 383 | 5 | 1 | 3 | 5.1 | CC#CC(CC(=O)O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 46854655 | 394 | 47 | None | -8 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/ml400501x | ||
| 6485 | 394 | 47 | None | -8 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/ml400501x | ||
| CHEMBL1829173 | 394 | 47 | None | -8 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/ml400501x | ||
| 146695343 | 171829 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 423 | 10 | 2 | 4 | 5.7 | CCCOc1ccc(-c2cccc(CNc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL4468987 | 171829 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 423 | 10 | 2 | 4 | 5.7 | CCCOc1ccc(-c2cccc(CNc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| 145754982 | 162438 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 510 | 10 | 1 | 6 | 4.9 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3C(=O)O)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4166922 | 162438 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 510 | 10 | 1 | 6 | 4.9 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3C(=O)O)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmcl.2013.03.060 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmcl.2013.03.060 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmcl.2013.03.060 | ||
| 155515835 | 169974 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 439 | 11 | 2 | 5 | 4.9 | COCCOc1ccc(-c2cccc(CNc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL4442354 | 169974 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 439 | 11 | 2 | 5 | 4.9 | COCCOc1ccc(-c2cccc(CNc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| 132578494 | 154488 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 531 | 10 | 1 | 4 | 6.4 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccc(F)cc3)CCO4)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| CHEMBL3941821 | 154488 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 531 | 10 | 1 | 4 | 6.4 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccc(F)cc3)CCO4)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| CHEMBL3990702 | 154488 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 531 | 10 | 1 | 4 | 6.4 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccc(F)cc3)CCO4)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| 137643956 | 158249 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 540 | 12 | 1 | 6 | 6.0 | CC#C[C@H](CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cc(OCCCS(C)(=O)=O)cc3C)c2)s1 | 10.1021/acs.jmedchem.6b01357 | ||
| CHEMBL4088797 | 158249 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 540 | 12 | 1 | 6 | 6.0 | CC#C[C@H](CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cc(OCCCS(C)(=O)=O)cc3C)c2)s1 | 10.1021/acs.jmedchem.6b01357 | ||
| 162659927 | 181358 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 500 | 12 | 1 | 3 | 8.3 | COc1ccc(CCCC(C)(C)C)c(-c2ccc(COc3cccc(C(CC(=O)O)C4CC4)c3)cc2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4763356 | 181358 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 500 | 12 | 1 | 3 | 8.3 | COc1ccc(CCCC(C)(C)C)c(-c2ccc(COc3cccc(C(CC(=O)O)C4CC4)c3)cc2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 127027730 | 137690 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 443 | 7 | 1 | 6 | 4.6 | O=C1NC(=O)C(Cc2ccc(OCc3nc4ccccc4n3Cc3ccccc3)cc2)S1 | 10.1016/j.ejmech.2015.12.049 | ||
| CHEMBL3758919 | 137690 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 443 | 7 | 1 | 6 | 4.6 | O=C1NC(=O)C(Cc2ccc(OCc3nc4ccccc4n3Cc3ccccc3)cc2)S1 | 10.1016/j.ejmech.2015.12.049 | ||
| 145965797 | 164361 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 501 | 9 | 2 | 7 | 4.9 | O=C(O)CCc1ccc(NC(=O)c2nnc(CC(c3ccccc3)c3ccc4c(c3)OCO4)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| CHEMBL4213089 | 164361 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 501 | 9 | 2 | 7 | 4.9 | O=C(O)CCc1ccc(NC(=O)c2nnc(CC(c3ccccc3)c3ccc4c(c3)OCO4)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| 90372365 | 142117 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 530 | 8 | 1 | 4 | 7.4 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2OC(F)(F)F)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883504 | 142117 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 530 | 8 | 1 | 4 | 7.4 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2OC(F)(F)F)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 58319139 | 86514 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 278 | 3 | 1 | 1 | 3.7 | Cc1cccc(C)c1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315542 | 86514 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 278 | 3 | 1 | 1 | 3.7 | Cc1cccc(C)c1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm301470a | ||
| 127030715 | 138973 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 214 | 3 | 1 | 1 | 2.6 | C=C(C)C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/acs.jmedchem.5b01962 | ||
| CHEMBL3785544 | 138973 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 214 | 3 | 1 | 1 | 2.6 | C=C(C)C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/acs.jmedchem.5b01962 | ||
| 24825484 | 87962 | 0 | None | 208 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 331 | 7 | 2 | 2 | 5.0 | O=C(O)CCc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 | 10.1021/ml100106c | ||
| CHEMBL234269 | 87962 | 0 | None | 208 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 331 | 7 | 2 | 2 | 5.0 | O=C(O)CCc1ccc(NCc2ccc(-c3ccccc3)cc2)cc1 | 10.1021/ml100106c | ||
| 145959722 | 162166 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 544 | 8 | 1 | 5 | 6.2 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4162588 | 162166 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 544 | 8 | 1 | 5 | 6.2 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 134135852 | 144356 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 502 | 9 | 1 | 8 | 3.6 | CCOc1ccc(F)c(N2CC[C@@H](Oc3cnc(N4CC(OC)[C@@H](C)[C@@H]4CC(=O)O)cn3)[C@H](C)C2)c1 | 10.1016/j.bmcl.2016.10.074 | ||
| CHEMBL3905856 | 144356 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 502 | 9 | 1 | 8 | 3.6 | CCOc1ccc(F)c(N2CC[C@@H](Oc3cnc(N4CC(OC)[C@@H](C)[C@@H]4CC(=O)O)cn3)[C@H](C)C2)c1 | 10.1016/j.bmcl.2016.10.074 | ||
| 54586484 | 62124 | 0 | None | -2 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 339 | 5 | 1 | 3 | 4.6 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)cc2Cl)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777862 | 62124 | 0 | None | -2 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 339 | 5 | 1 | 3 | 4.6 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)cc2Cl)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 145950402 | 162899 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 467 | 8 | 2 | 3 | 5.7 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)NC3CCCc4ccccc43)cc2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4174136 | 162899 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 467 | 8 | 2 | 3 | 5.7 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)NC3CCCc4ccccc43)cc2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 145953365 | 162437 | 0 | None | -1 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 467 | 8 | 2 | 3 | 5.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4166892 | 162437 | 0 | None | -1 | 3 | Mouse | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 467 | 8 | 2 | 3 | 5.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 56680363 | 65324 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 331 | 2 | 1 | 2 | 4.0 | O=C(O)C1CC1c1ccc(C#Cc2cc(Cl)nc(Cl)c2)cc1 | 10.1021/jm2005699 | ||
| CHEMBL1829172 | 65324 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 331 | 2 | 1 | 2 | 4.0 | O=C(O)C1CC1c1ccc(C#Cc2cc(Cl)nc(Cl)c2)cc1 | 10.1021/jm2005699 | ||
| 57706642 | 80642 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 490 | 9 | 1 | 3 | 7.7 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CCC4)c3)cc2C(C)(C)C)c1 | 10.1021/ml300133f | ||
| CHEMBL2151299 | 80642 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 490 | 9 | 1 | 3 | 7.7 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CCC4)c3)cc2C(C)(C)C)c1 | 10.1021/ml300133f | ||
| 90644291 | 111931 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 362 | 7 | 1 | 4 | 4.4 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)nn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288349 | 111931 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 362 | 7 | 1 | 4 | 4.4 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)nn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 168287667 | 191637 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 466 | 12 | 1 | 5 | 5.8 | CCOc1ccc(/C=C/c2cc(OCC)cc(OCc3ccc(OCC(=O)O)c(F)c3)c2)cc1 | 10.1016/j.ejmech.2021.114061 | ||
| CHEMBL5196235 | 191637 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 466 | 12 | 1 | 5 | 5.8 | CCOc1ccc(/C=C/c2cc(OCC)cc(OCc3ccc(OCC(=O)O)c(F)c3)c2)cc1 | 10.1016/j.ejmech.2021.114061 | ||
| 134142866 | 145617 | 0 | None | -9 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 358 | 7 | 1 | 3 | 4.6 | O=C(O)CCCOc1ccc(-c2cc(OC(F)(F)F)ccc2F)cc1 | 10.1016/j.bmcl.2016.10.054 | ||
| CHEMBL3915765 | 145617 | 0 | None | -9 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 358 | 7 | 1 | 3 | 4.6 | O=C(O)CCCOc1ccc(-c2cc(OC(F)(F)F)ccc2F)cc1 | 10.1016/j.bmcl.2016.10.054 | ||
| 71562641 | 86494 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 400 | 9 | 1 | 4 | 3.3 | CS(=O)(=O)CCCCOc1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm301470a | ||
| CHEMBL2315254 | 86494 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 400 | 9 | 1 | 4 | 3.3 | CS(=O)(=O)CCCCOc1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm301470a | ||
| 145964802 | 164255 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 7 | 1 | 6 | 3.7 | Cc1ccc(-c2c(C)noc2C)cc1COc1ccc(S(=O)(=O)CC(=O)O)cc1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4211807 | 164255 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 415 | 7 | 1 | 6 | 3.7 | Cc1ccc(-c2c(C)noc2C)cc1COc1ccc(S(=O)(=O)CC(=O)O)cc1 | 10.1016/j.ejmech.2017.07.001 | ||
| 66562391 | 138964 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 262 | 4 | 2 | 2 | 2.1 | C/C(C#Cc1ccc(CCC(=O)O)c(F)c1)=C/CO | 10.1021/acs.jmedchem.5b01962 | ||
| CHEMBL3785413 | 138964 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 262 | 4 | 2 | 2 | 2.1 | C/C(C#Cc1ccc(CCC(=O)O)c(F)c1)=C/CO | 10.1021/acs.jmedchem.5b01962 | ||
| 145980608 | 166620 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 404 | 9 | 1 | 4 | 5.2 | O=C(O)CC1COc2cc(OCCCOc3ccc(-c4ccccc4)cc3)ccc21 | 10.1016/j.ejmech.2018.09.071 | ||
| CHEMBL4281316 | 166620 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 404 | 9 | 1 | 4 | 5.2 | O=C(O)CC1COc2cc(OCCCOc3ccc(-c4ccccc4)cc3)ccc21 | 10.1016/j.ejmech.2018.09.071 | ||
| 54757621 | 65293 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 300 | 3 | 1 | 3 | 2.9 | Cc1cnc(Cl)nc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm2005699 | ||
| CHEMBL1829142 | 65293 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 300 | 3 | 1 | 3 | 2.9 | Cc1cnc(Cl)nc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm2005699 | ||
| 46231656 | 201092 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 314 | 4 | 1 | 5 | 3.1 | Cc1ccnc(Oc2ccc(CC3SC(=O)NC3=O)cc2)c1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL603066 | 201092 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 314 | 4 | 1 | 5 | 3.1 | Cc1ccnc(Oc2ccc(CC3SC(=O)NC3=O)cc2)c1 | 10.1016/j.bmcl.2009.10.052 | ||
| 134130696 | 142112 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 490 | 9 | 1 | 4 | 6.7 | COCc1cc(C2CCc3ccc([C@@H](CC(=O)O)C4CC4)cc3O2)ccc1-c1cc(OC)ccc1F | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883449 | 142112 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 490 | 9 | 1 | 4 | 6.7 | COCc1cc(C2CCc3ccc([C@@H](CC(=O)O)C4CC4)cc3O2)ccc1-c1cc(OC)ccc1F | 10.1021/acsmedchemlett.6b00443 | ||
| 118638001 | 142095 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883355 | 142095 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@@H](C)C(=O)O)cc4O3)nc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 122193975 | 123953 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 502 | 12 | 1 | 6 | 4.7 | Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2015.10.011 | ||
| CHEMBL3629049 | 123953 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 502 | 12 | 1 | 6 | 4.7 | Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2015.10.011 | ||
| 25150120 | 173980 | 1 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | Cc1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm8010178 | ||
| CHEMBL454257 | 173980 | 1 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | Cc1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm8010178 | ||
| 54757831 | 65323 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 333 | 3 | 1 | 2 | 4.1 | Cc1c(C#Cc2ccc(CCC(=O)O)cc2)cc(Cl)nc1Cl | 10.1021/jm2005699 | ||
| CHEMBL1829171 | 65323 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 333 | 3 | 1 | 2 | 4.1 | Cc1c(C#Cc2ccc(CCC(=O)O)cc2)cc(Cl)nc1Cl | 10.1021/jm2005699 | ||
| 58218673 | 157501 | 0 | None | -5 | 2 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 413 | 5 | 1 | 3 | 5.7 | Cc1c(Cl)cccc1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4079930 | 157501 | 0 | None | -5 | 2 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 413 | 5 | 1 | 3 | 5.7 | Cc1c(Cl)cccc1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 853224 | 94546 | 11 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 348 | 6 | 1 | 6 | 4.2 | O=C(O)CSc1nnc(SCc2cccc3ccccc23)s1 | 10.1021/jm7012425 | ||
| CHEMBL251963 | 94546 | 11 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 348 | 6 | 1 | 6 | 4.2 | O=C(O)CSc1nnc(SCc2cccc3ccccc23)s1 | 10.1021/jm7012425 | ||
| 127050771 | 140204 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.7 | Cc1ccc(NC(=O)c2nnc(COc3ccc(CCC(=O)O)cc3)s2)cc1 | 10.1016/j.bmc.2016.04.065 | ||
| CHEMBL3805246 | 140204 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.7 | Cc1ccc(NC(=O)c2nnc(COc3ccc(CCC(=O)O)cc3)s2)cc1 | 10.1016/j.bmc.2016.04.065 | ||
| 145979252 | 166624 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 442 | 7 | 1 | 4 | 5.3 | O=C(O)CC(c1ccc(F)cc1)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4281376 | 166624 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 442 | 7 | 1 | 4 | 5.3 | O=C(O)CC(c1ccc(F)cc1)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 145962164 | 161453 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 367 | 6 | 1 | 6 | 3.0 | O=C1NC(=O)C(Cc2ccc(OCCn3cnc4ccccc43)cc2)S1 | 10.1016/j.bmcl.2018.03.051 | ||
| CHEMBL4127761 | 161453 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 367 | 6 | 1 | 6 | 3.0 | O=C1NC(=O)C(Cc2ccc(OCCn3cnc4ccccc43)cc2)S1 | 10.1016/j.bmcl.2018.03.051 | ||
| 53248846 | 62123 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 414 | 7 | 1 | 3 | 5.7 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777861 | 62123 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 414 | 7 | 1 | 3 | 5.7 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 46941175 | 61782 | 26 | None | -1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 345 | 7 | 2 | 2 | 5.3 | Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/ml100106c | ||
| CHEMBL1773261 | 61782 | 26 | None | -1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 345 | 7 | 2 | 2 | 5.3 | Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/ml100106c | ||
| 162659599 | 181174 | 0 | None | -4 | 2 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 515 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4761101 | 181174 | 0 | None | -4 | 2 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 515 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| 90151205 | 157262 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 493 | 6 | 1 | 5 | 5.4 | Cc1ccc(F)c(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4076882 | 157262 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 493 | 6 | 1 | 5 | 5.4 | Cc1ccc(F)c(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| 162666840 | 182430 | 0 | None | -3 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4786299 | 182430 | 0 | None | -3 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| 137638184 | 156732 | 0 | None | -1 | 2 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 365 | 6 | 1 | 3 | 4.6 | O=C(O)C[C@@H]1CCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4070619 | 156732 | 0 | None | -1 | 2 | Mouse | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 365 | 6 | 1 | 3 | 4.6 | O=C(O)C[C@@H]1CCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 134129938 | 142415 | 0 | None | -263 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 414 | 6 | 1 | 4 | 5.0 | COc1cc(OC(F)(F)F)cc(-c2ccc3c(c2)CC[C@H](CCC(=O)O)O3)c1F | 10.1021/acsmedchemlett.6b00394 | ||
| CHEMBL3890089 | 142415 | 0 | None | -263 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 414 | 6 | 1 | 4 | 5.0 | COc1cc(OC(F)(F)F)cc(-c2ccc3c(c2)CC[C@H](CCC(=O)O)O3)c1F | 10.1021/acsmedchemlett.6b00394 | ||
| 58319127 | 86523 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 266 | 3 | 2 | 2 | 2.8 | O=C(O)CCc1ccc(C#Cc2cccc(O)c2)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315551 | 86523 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 266 | 3 | 2 | 2 | 2.8 | O=C(O)CCc1ccc(C#Cc2cccc(O)c2)cc1 | 10.1021/jm301470a | ||
| 54580132 | 61774 | 0 | None | 3 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 334 | 6 | 1 | 2 | 4.0 | O=C(O)CCc1ccc(OCc2ccccc2Br)cc1 | 10.1021/ml100106c | ||
| CHEMBL1773253 | 61774 | 0 | None | 3 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 334 | 6 | 1 | 2 | 4.0 | O=C(O)CCc1ccc(OCc2ccccc2Br)cc1 | 10.1021/ml100106c | ||
| 57521913 | 76241 | 0 | None | -2 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 376 | 9 | 1 | 3 | 5.3 | CCOc1ccc(-c2ccccc2COc2ccc(CCC(=O)O)cc2)cc1 | 10.1021/jm300215x | ||
| CHEMBL2058526 | 76241 | 0 | None | -2 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 376 | 9 | 1 | 3 | 5.3 | CCOc1ccc(-c2ccccc2COc2ccc(CCC(=O)O)cc2)cc1 | 10.1021/jm300215x | ||
| 142738545 | 162252 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 279 | 4 | 2 | 1 | 4.2 | Cc1ccccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1 | 10.1021/acsmedchemlett.7b00460 | ||
| CHEMBL4164008 | 162252 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 279 | 4 | 2 | 1 | 4.2 | Cc1ccccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1 | 10.1021/acsmedchemlett.7b00460 | ||
| 46231713 | 201013 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 314 | 4 | 1 | 5 | 3.1 | Cc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)nc1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL602457 | 201013 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 314 | 4 | 1 | 5 | 3.1 | Cc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)nc1 | 10.1016/j.bmcl.2009.10.052 | ||
| 51349993 | 58806 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 362 | 8 | 1 | 3 | 5.4 | Cc1cccc(Oc2cccc(COc3ccc(CCC(=O)O)cc3)c2)c1 | 10.1021/jm101405t | ||
| CHEMBL1688460 | 58806 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 362 | 8 | 1 | 3 | 5.4 | Cc1cccc(Oc2cccc(COc3ccc(CCC(=O)O)cc3)c2)c1 | 10.1021/jm101405t | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2018.09.071 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2018.09.071 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2018.09.071 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2018.09.071 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2021.114061 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2021.114061 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2021.114061 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2021.114061 | ||
| 155550483 | 174279 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 501 | 12 | 2 | 6 | 4.7 | Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL4550165 | 174279 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 501 | 12 | 2 | 6 | 4.7 | Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| 127046960 | 139966 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 369 | 7 | 1 | 4 | 4.7 | Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2017.12.030 | ||
| CHEMBL3799946 | 139966 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 369 | 7 | 1 | 4 | 4.7 | Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2017.12.030 | ||
| CHEMBL4227915 | 139966 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 369 | 7 | 1 | 4 | 4.7 | Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2017.12.030 | ||
| 25150014 | 3854 | 55 | None | 44 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 10.1021/jm2005699 | ||
| 3952 | 3854 | 55 | None | 44 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 10.1021/jm2005699 | ||
| CHEMBL449588 | 3854 | 55 | None | 44 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 10.1021/jm2005699 | ||
| 25150014 | 3854 | 55 | None | 44 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 10.1021/ml4000673 | ||
| 3952 | 3854 | 55 | None | 44 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 10.1021/ml4000673 | ||
| CHEMBL449588 | 3854 | 55 | None | 44 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 10.1021/ml4000673 | ||
| 60195125 | 3857 | 8 | None | 4 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 499 | 12 | 2 | 5 | 5.2 | OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm3002026 | ||
| 9149 | 3857 | 8 | None | 4 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 499 | 12 | 2 | 5 | 5.2 | OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm3002026 | ||
| CHEMBL2164242 | 3857 | 8 | None | 4 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 499 | 12 | 2 | 5 | 5.2 | OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm3002026 | ||
| 145963855 | 164175 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 476 | 9 | 1 | 3 | 7.4 | COc1ccc(F)c(-c2ccc(COc3cccc(CCC(=O)O)c3)cc2[C@@H]2CCCC2(C)C)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| CHEMBL4210827 | 164175 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 476 | 9 | 1 | 3 | 7.4 | COc1ccc(F)c(-c2ccc(COc3cccc(CCC(=O)O)c3)cc2[C@@H]2CCCC2(C)C)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| 168285924 | 191651 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 392 | 7 | 1 | 4 | 5.3 | O=C(O)COc1ccc(OCc2cccc(-c3ccc4ccoc4c3)c2)cc1F | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL5196452 | 191651 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 392 | 7 | 1 | 4 | 5.3 | O=C(O)COc1ccc(OCc2cccc(-c3ccc4ccoc4c3)c2)cc1F | 10.1016/j.bmc.2022.116615 | ||
| 137639817 | 156780 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 504 | 10 | 1 | 5 | 6.6 | CC#CC(CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cc(OCC4(C)COC4)cc3C)c2)s1 | 10.1021/acs.jmedchem.6b01357 | ||
| CHEMBL4071066 | 156780 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 504 | 10 | 1 | 5 | 6.6 | CC#CC(CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cc(OCC4(C)COC4)cc3C)c2)s1 | 10.1021/acs.jmedchem.6b01357 | ||
| 137653896 | 158521 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 326 | 6 | 1 | 4 | 3.4 | Cc1ccccc1COc1ccc(N2CCC[C@H]2CC(=O)O)cn1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4091552 | 158521 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 326 | 6 | 1 | 4 | 3.4 | Cc1ccccc1COc1ccc(N2CCC[C@H]2CC(=O)O)cn1 | 10.1021/acs.jmedchem.6b01559 | ||
| 90151652 | 158650 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 507 | 7 | 1 | 5 | 5.7 | CCc1ccc(F)c(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4092937 | 158650 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 507 | 7 | 1 | 5 | 5.7 | CCc1ccc(F)c(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| 90151514 | 159637 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 495 | 6 | 1 | 5 | 5.6 | C[C@@H]1C(C(F)(F)F)=NN(c2ccc(OC3CCN(c4ccccc4Cl)CC3)cc2)[C@H]1CC(=O)O | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4103854 | 159637 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 495 | 6 | 1 | 5 | 5.6 | C[C@@H]1C(C(F)(F)F)=NN(c2ccc(OC3CCN(c4ccccc4Cl)CC3)cc2)[C@H]1CC(=O)O | 10.1021/acs.jmedchem.7b00982 | ||
| 58218630 | 159631 | 0 | None | -13 | 2 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 379 | 6 | 1 | 3 | 5.0 | O=C(O)C[C@@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4103729 | 159631 | 0 | None | -13 | 2 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 379 | 6 | 1 | 3 | 5.0 | O=C(O)C[C@@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 137637243 | 155865 | 0 | None | -4 | 2 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 343 | 5 | 1 | 4 | 4.1 | O=C(O)CCc1ccc(-c2ccc3cnn(-c4ccccn4)c3c2)cc1 | 10.1021/acs.jmedchem.7b00210 | ||
| CHEMBL4060517 | 155865 | 0 | None | -4 | 2 | Mouse | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 343 | 5 | 1 | 4 | 4.1 | O=C(O)CCc1ccc(-c2ccc3cnn(-c4ccccn4)c3c2)cc1 | 10.1021/acs.jmedchem.7b00210 | ||
| 134143394 | 154456 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 545 | 11 | 1 | 7 | 5.5 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3nc(C5CC5)no3)CCO4)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| CHEMBL3917858 | 154456 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 545 | 11 | 1 | 7 | 5.5 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3nc(C5CC5)no3)CCO4)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| CHEMBL3990389 | 154456 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 545 | 11 | 1 | 7 | 5.5 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3nc(C5CC5)no3)CCO4)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| 53248846 | 62123 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 414 | 7 | 1 | 3 | 5.7 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777861 | 62123 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 414 | 7 | 1 | 3 | 5.7 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 54580132 | 61774 | 0 | None | 3 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 334 | 6 | 1 | 2 | 4.0 | O=C(O)CCc1ccc(OCc2ccccc2Br)cc1 | 10.1021/jm300215x | ||
| CHEMBL1773253 | 61774 | 0 | None | 3 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 334 | 6 | 1 | 2 | 4.0 | O=C(O)CCc1ccc(OCc2ccccc2Br)cc1 | 10.1021/jm300215x | ||
| 145966167 | 164199 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 407 | 7 | 1 | 5 | 3.7 | N#Cc1ccccc1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4211064 | 164199 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 407 | 7 | 1 | 5 | 3.7 | N#Cc1ccccc1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| 561372 | 58797 | 65 | None | 20 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 256 | 6 | 1 | 2 | 3.3 | O=C(O)CCc1ccc(OCc2ccccc2)cc1 | 10.1021/ml100106c | ||
| CHEMBL1688452 | 58797 | 65 | None | 20 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 256 | 6 | 1 | 2 | 3.3 | O=C(O)CCc1ccc(OCc2ccccc2)cc1 | 10.1021/ml100106c | ||
| 75511317 | 122485 | 4 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 372 | 7 | 1 | 5 | 4.3 | Cc1cccc(-c2noc(COc3ccc(CCC(=O)O)cc3Cl)n2)c1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3601057 | 122485 | 4 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 372 | 7 | 1 | 5 | 4.3 | Cc1cccc(-c2noc(COc3ccc(CCC(=O)O)cc3Cl)n2)c1 | 10.1016/j.bmcl.2015.06.018 | ||
| 145955263 | 162517 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 414 | 6 | 2 | 3 | 6.1 | O=C(O)C[C@H](c1ccc2c(c1)OC(c1ccc(-c3cccc(O)c3)cc1)CC2)C1CC1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4168048 | 162517 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 414 | 6 | 2 | 3 | 6.1 | O=C(O)C[C@H](c1ccc2c(c1)OC(c1ccc(-c3cccc(O)c3)cc1)CC2)C1CC1 | 10.1021/acsmedchemlett.8b00149 | ||
| 145990715 | 166973 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 386 | 6 | 1 | 4 | 4.1 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4288001 | 166973 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 386 | 6 | 1 | 4 | 4.1 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 25150014 | 3854 | 55 | None | 44 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 10.1021/jm301470a | ||
| 3952 | 3854 | 55 | None | 44 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 10.1021/jm301470a | ||
| CHEMBL449588 | 3854 | 55 | None | 44 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 10.1021/jm301470a | ||
| 162668241 | 182482 | 0 | None | -4 | 2 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 515 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2cnc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4787007 | 182482 | 0 | None | -4 | 2 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 515 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2cnc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| 71612898 | 89955 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 570 | 9 | 1 | 7 | 5.4 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1ccc(F)c([C@@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381295 | 89955 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 570 | 9 | 1 | 7 | 5.4 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1ccc(F)c([C@@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| 71562771 | 86502 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 305 | 5 | 1 | 3 | 3.0 | N#CCOc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315530 | 86502 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 305 | 5 | 1 | 3 | 3.0 | N#CCOc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm301470a | ||
| 145974495 | 164701 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 396 | 7 | 1 | 4 | 4.1 | Cc1ccccc1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4217477 | 164701 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 396 | 7 | 1 | 4 | 4.1 | Cc1ccccc1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| 127032539 | 138785 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 377 | 6 | 1 | 4 | 4.6 | Cc1ccc(C)n1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1016/j.bmc.2016.03.014 | ||
| CHEMBL3781077 | 138785 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 377 | 6 | 1 | 4 | 4.6 | Cc1ccc(C)n1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1016/j.bmc.2016.03.014 | ||
| 155522452 | 170690 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 442 | 7 | 1 | 4 | 5.4 | O=C(O)CCc1ccc(OC[C@H]2COc3ccc(-c4ccc(Cl)cc4)cc3O2)cc1F | 10.1016/j.bmcl.2019.01.014 | ||
| CHEMBL4452044 | 170690 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 442 | 7 | 1 | 4 | 5.4 | O=C(O)CCc1ccc(OC[C@H]2COc3ccc(-c4ccc(Cl)cc4)cc3O2)cc1F | 10.1016/j.bmcl.2019.01.014 | ||
| 137657002 | 159778 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 323 | 5 | 1 | 3 | 3.7 | Cc1ccccc1C(=O)c1ccc(N2CCC[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4105565 | 159778 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 323 | 5 | 1 | 3 | 3.7 | Cc1ccccc1C(=O)c1ccc(N2CCC[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 90372625 | 167697 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 444 | 7 | 1 | 5 | 5.4 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4159022 | 167697 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 444 | 7 | 1 | 5 | 5.4 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4302640 | 167697 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 444 | 7 | 1 | 5 | 5.4 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 5280933 | 178196 | 64 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O | 10.1016/j.ejmech.2015.12.049 | ||
| CHEMBL464982 | 178196 | 64 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O | 10.1016/j.ejmech.2015.12.049 | ||
| 71562768 | 86495 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 289 | 3 | 1 | 2 | 3.3 | Cc1ccc(C#N)c(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm301470a | ||
| CHEMBL2315255 | 86495 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 289 | 3 | 1 | 2 | 3.3 | Cc1ccc(C#N)c(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm301470a | ||
| 127050769 | 140243 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 413 | 9 | 2 | 7 | 3.4 | COc1cccc(NC(=O)c2nnc(COc3ccc(CCC(=O)O)cc3)s2)c1 | 10.1016/j.bmc.2016.04.065 | ||
| CHEMBL3805670 | 140243 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 413 | 9 | 2 | 7 | 3.4 | COc1cccc(NC(=O)c2nnc(COc3ccc(CCC(=O)O)cc3)s2)c1 | 10.1016/j.bmc.2016.04.065 | ||
| 23083190 | 58808 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 376 | 8 | 1 | 3 | 5.7 | Cc1cccc(C)c1Oc1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| CHEMBL1688462 | 58808 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 376 | 8 | 1 | 3 | 5.7 | Cc1cccc(C)c1Oc1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| 156013404 | 177435 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 440 | 8 | 1 | 5 | 5.2 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OC)cc4)cn3c2)cc1 | 10.1016/j.bmcl.2021.127969 | ||
| CHEMBL4638956 | 177435 | 3 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 440 | 8 | 1 | 5 | 5.2 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OC)cc4)cn3c2)cc1 | 10.1016/j.bmcl.2021.127969 | ||
| 131986378 | 164557 | 0 | None | -1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 552 | 11 | 1 | 7 | 6.7 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C)c(-c4ccc(OCCOC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4215544 | 164557 | 0 | None | -1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 552 | 11 | 1 | 7 | 6.7 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(C)c(-c4ccc(OCCOC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 145950347 | 162814 | 0 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 506 | 8 | 1 | 5 | 5.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4172828 | 162814 | 0 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 506 | 8 | 1 | 5 | 5.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 54586486 | 62132 | 0 | None | -1 | 2 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 320 | 5 | 1 | 2 | 4.3 | CC#CC(CC(=O)O)c1ccc(O[C@@H]2CCc3ccccc32)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777870 | 62132 | 0 | None | -1 | 2 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 320 | 5 | 1 | 2 | 4.3 | CC#CC(CC(=O)O)c1ccc(O[C@@H]2CCc3ccccc32)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 1050 | 1889 | 94 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/jm8010178 | ||
| 11595431 | 1889 | 94 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/jm8010178 | ||
| CHEMBL207881 | 1889 | 94 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/jm8010178 | ||
| 1050 | 1889 | 94 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/jm2005699 | ||
| 11595431 | 1889 | 94 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/jm2005699 | ||
| CHEMBL207881 | 1889 | 94 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/jm2005699 | ||
| 127031003 | 139119 | 0 | None | 371 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 232 | 3 | 1 | 1 | 2.8 | C/C=C\C#Cc1ccc(CCC(=O)O)c(F)c1 | 10.1021/acs.jmedchem.5b01962 | ||
| CHEMBL3787072 | 139119 | 0 | None | 371 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 232 | 3 | 1 | 1 | 2.8 | C/C=C\C#Cc1ccc(CCC(=O)O)c(F)c1 | 10.1021/acs.jmedchem.5b01962 | ||
| 3681700 | 200291 | 15 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 299 | 4 | 1 | 4 | 3.4 | O=C1NC(=O)C(Cc2cccc(Oc3ccccc3)c2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL597424 | 200291 | 15 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 299 | 4 | 1 | 4 | 3.4 | O=C1NC(=O)C(Cc2cccc(Oc3ccccc3)c2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 9995943 | 200514 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 317 | 4 | 1 | 4 | 3.5 | O=C1NC(=O)C(Cc2ccc(Oc3ccc(F)cc3)cc2)S1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL598935 | 200514 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 317 | 4 | 1 | 4 | 3.5 | O=C1NC(=O)C(Cc2ccc(Oc3ccc(F)cc3)cc2)S1 | 10.1016/j.bmcl.2011.03.114 | ||
| 86803183 | 122431 | 1 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 357 | 7 | 1 | 4 | 4.6 | O=C(O)CCc1ccc(OCc2ncc(-c3cccc(Cl)c3)o2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3600999 | 122431 | 1 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 357 | 7 | 1 | 4 | 4.6 | O=C(O)CCc1ccc(OCc2ncc(-c3cccc(Cl)c3)o2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| 54757733 | 65313 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 343 | 5 | 1 | 3 | 4.3 | O=C(O)CCc1ccc(C#Cc2ccnc(Oc3ccccc3)c2)cc1 | 10.1021/jm2005699 | ||
| CHEMBL1829161 | 65313 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 343 | 5 | 1 | 3 | 4.3 | O=C(O)CCc1ccc(C#Cc2ccnc(Oc3ccccc3)c2)cc1 | 10.1021/jm2005699 | ||
| 54582150 | 61780 | 0 | None | 22 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 331 | 7 | 2 | 2 | 5.0 | O=C(O)CCc1ccc(NCc2ccccc2-c2ccccc2)cc1 | 10.1021/jm300215x | ||
| CHEMBL1773259 | 61780 | 0 | None | 22 | 2 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 331 | 7 | 2 | 2 | 5.0 | O=C(O)CCc1ccc(NCc2ccccc2-c2ccccc2)cc1 | 10.1021/jm300215x | ||
| 1050 | 1889 | 94 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1016/j.bmcl.2018.06.047 | ||
| 11595431 | 1889 | 94 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1016/j.bmcl.2018.06.047 | ||
| CHEMBL207881 | 1889 | 94 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1016/j.bmcl.2018.06.047 | ||
| 11271473 | 74443 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 475 | 11 | 2 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(CNc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022584 | 74443 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 475 | 11 | 2 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(CNc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2027975 | 74443 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 475 | 11 | 2 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(CNc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| 54586484 | 62124 | 0 | None | 2 | 2 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 339 | 5 | 1 | 3 | 4.6 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)cc2Cl)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777862 | 62124 | 0 | None | 2 | 2 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 339 | 5 | 1 | 3 | 4.6 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)cc2Cl)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 118645671 | 180905 | 0 | None | -5 | 2 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 476 | 10 | 1 | 5 | 6.3 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C=C(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4758060 | 180905 | 0 | None | -5 | 2 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 476 | 10 | 1 | 5 | 6.3 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C=C(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| 127034370 | 138816 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 399 | 6 | 1 | 5 | 4.8 | Cc1nc(-c2ccc(F)cc2)sc1COc1ccc2c(c1)OCC2CC(=O)O | 10.1016/j.ejmech.2016.02.040 | ||
| CHEMBL3781477 | 138816 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 399 | 6 | 1 | 5 | 4.8 | Cc1nc(-c2ccc(F)cc2)sc1COc1ccc2c(c1)OCC2CC(=O)O | 10.1016/j.ejmech.2016.02.040 | ||
| 44409664 | 77261 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 360 | 8 | 2 | 3 | 4.8 | CNC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL208175 | 77261 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 360 | 8 | 2 | 3 | 4.8 | CNC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 71460255 | 80767 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 420 | 9 | 1 | 3 | 6.0 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2)c1 | 10.1021/ml300133f | ||
| CHEMBL2152069 | 80767 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 420 | 9 | 1 | 3 | 6.0 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2)c1 | 10.1021/ml300133f | ||
| 168276826 | 190100 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 396 | 9 | 1 | 4 | 4.9 | CCOc1cccc(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL5173326 | 190100 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 396 | 9 | 1 | 4 | 4.9 | CCOc1cccc(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| 168278602 | 190962 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 472 | 10 | 1 | 4 | 6.5 | O=C(O)COc1ccc(OCc2cccc(-c3ccc4cc(OCC5CC5)ccc4c3)c2)cc1F | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL5186275 | 190962 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 472 | 10 | 1 | 4 | 6.5 | O=C(O)COc1ccc(OCc2cccc(-c3ccc4cc(OCC5CC5)ccc4c3)c2)cc1F | 10.1016/j.bmc.2022.116615 | ||
| 9995943 | 200514 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 317 | 4 | 1 | 4 | 3.5 | O=C1NC(=O)C(Cc2ccc(Oc3ccc(F)cc3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL598935 | 200514 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 317 | 4 | 1 | 4 | 3.5 | O=C1NC(=O)C(Cc2ccc(Oc3ccc(F)cc3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 90151529 | 157744 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 497 | 6 | 1 | 5 | 5.2 | C[C@@H]1C(C(F)(F)F)=NN(c2ccc(OC3CCN(c4cc(F)ccc4F)CC3)cc2)[C@H]1CC(=O)O | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4082717 | 157744 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 497 | 6 | 1 | 5 | 5.2 | C[C@@H]1C(C(F)(F)F)=NN(c2ccc(OC3CCN(c4cc(F)ccc4F)CC3)cc2)[C@H]1CC(=O)O | 10.1021/acs.jmedchem.7b00982 | ||
| 1052 | 2307 | 85 | None | -5 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2019.01.014 | ||
| 3323 | 2307 | 85 | None | -5 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2019.01.014 | ||
| 5280450 | 2307 | 85 | None | -5 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2019.01.014 | ||
| CHEMBL267476 | 2307 | 85 | None | -5 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2019.01.014 | ||
| DB14104 | 2307 | 85 | None | -5 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2019.01.014 | ||
| 1052 | 2307 | 85 | None | -5 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmc.2018.10.019 | ||
| 3323 | 2307 | 85 | None | -5 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmc.2018.10.019 | ||
| 5280450 | 2307 | 85 | None | -5 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL267476 | 2307 | 85 | None | -5 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmc.2018.10.019 | ||
| DB14104 | 2307 | 85 | None | -5 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmc.2018.10.019 | ||
| 127030344 | 139120 | 0 | None | 69 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 242 | 3 | 1 | 1 | 3.2 | O=C(O)CCc1ccc(C#CC2CCCC2)cc1 | 10.1021/acs.jmedchem.5b01962 | ||
| CHEMBL3787110 | 139120 | 0 | None | 69 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 242 | 3 | 1 | 1 | 3.2 | O=C(O)CCc1ccc(C#CC2CCCC2)cc1 | 10.1021/acs.jmedchem.5b01962 | ||
| 51350270 | 58809 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1ccc(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)cc1 | 10.1021/ml100106c | ||
| CHEMBL1688463 | 58809 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1ccc(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)cc1 | 10.1021/ml100106c | ||
| 11327107 | 74022 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 402 | 5 | 1 | 3 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)OCCC(C(=O)O)C3)c1 | 10.1021/ml1000855 | ||
| CHEMBL2022248 | 74022 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 402 | 5 | 1 | 3 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)OCCC(C(=O)O)C3)c1 | 10.1021/ml1000855 | ||
| 122185444 | 122662 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 354 | 7 | 1 | 3 | 5.3 | CCOC(CC(=O)O)c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604054 | 122662 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 354 | 7 | 1 | 3 | 5.3 | CCOC(CC(=O)O)c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 58172989 | 111942 | 0 | None | 3 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 389 | 6 | 1 | 4 | 5.0 | Cc1cccc(C)c1-c1cccc(COc2cc3c(cn2)C(CC(=O)O)OC3)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288360 | 111942 | 0 | None | 3 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 389 | 6 | 1 | 4 | 5.0 | Cc1cccc(C)c1-c1cccc(COc2cc3c(cn2)C(CC(=O)O)OC3)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 122193735 | 123942 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 410 | 8 | 1 | 4 | 5.2 | COc1cc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1016/j.bmc.2015.10.011 | ||
| CHEMBL3628755 | 123942 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 410 | 8 | 1 | 4 | 5.2 | COc1cc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1016/j.bmc.2015.10.011 | ||
| 168293256 | 192115 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 464 | 10 | 1 | 4 | 6.4 | Cc1ccc(OCC2CCCC2)cc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL5203672 | 192115 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 464 | 10 | 1 | 4 | 6.4 | Cc1ccc(OCC2CCCC2)cc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| 137631853 | 156288 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 311 | 5 | 1 | 3 | 4.2 | Cc1ccc(Oc2ccc(N3CCC[C@H]3CC(=O)O)cc2)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4065518 | 156288 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 311 | 5 | 1 | 3 | 4.2 | Cc1ccc(Oc2ccc(N3CCC[C@H]3CC(=O)O)cc2)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 132606864 | 157722 | 0 | None | 2 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@@H](C(F)(F)F)C[C@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4082395 | 157722 | 0 | None | 2 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@@H](C(F)(F)F)C[C@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 23111708 | 74020 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 386 | 6 | 1 | 3 | 5.9 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(CC(=O)O)coc3c2)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022246 | 74020 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 386 | 6 | 1 | 3 | 5.9 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(CC(=O)O)coc3c2)c1 | 10.1021/jm2012968 | ||
| 118145020 | 171045 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 461 | 8 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2cnc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4457184 | 171045 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 461 | 8 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2cnc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 127046666 | 139980 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 370 | 7 | 1 | 5 | 4.1 | Cc1noc(C)c1-c1cncc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3800040 | 139980 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 370 | 7 | 1 | 5 | 4.1 | Cc1noc(C)c1-c1cncc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| 45107311 | 119106 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 360 | 7 | 1 | 3 | 5.0 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c(Cl)cccc32)cc1 | 10.1021/ml500391n | ||
| CHEMBL3427711 | 119106 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 360 | 7 | 1 | 3 | 5.0 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c(Cl)cccc32)cc1 | 10.1021/ml500391n | ||
| 45107311 | 119106 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 360 | 7 | 1 | 3 | 5.0 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c(Cl)cccc32)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3427711 | 119106 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 360 | 7 | 1 | 3 | 5.0 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c(Cl)cccc32)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 68194449 | 182790 | 0 | None | -4 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 498 | 8 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cnc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4790921 | 182790 | 0 | None | -4 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 498 | 8 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cnc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 90356885 | 167511 | 0 | None | 16 | 2 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 462 | 7 | 1 | 5 | 5.6 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4168422 | 167511 | 0 | None | 16 | 2 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 462 | 7 | 1 | 5 | 5.6 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4300181 | 167511 | 0 | None | 16 | 2 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 462 | 7 | 1 | 5 | 5.6 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 90372616 | 142208 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 530 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C(OC)C2CC2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3884609 | 142208 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 530 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C(OC)C2CC2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 45107476 | 118968 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 368 | 8 | 1 | 3 | 4.8 | CCO[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 | 10.1021/ml500391n | ||
| CHEMBL3425533 | 118968 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 368 | 8 | 1 | 3 | 4.8 | CCO[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 | 10.1021/ml500391n | ||
| 45107476 | 118968 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 368 | 8 | 1 | 3 | 4.8 | CCO[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3425533 | 118968 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 368 | 8 | 1 | 3 | 4.8 | CCO[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 73051869 | 167415 | 4 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 521 | 10 | 1 | 6 | 4.7 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2cc3c(cn2)[C@@H]2[C@@H](C(=O)O)[C@@H]2C3)c1 | 10.1021/acs.jmedchem.1c00031 | ||
| CHEMBL4297471 | 167415 | 4 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 521 | 10 | 1 | 6 | 4.7 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2cc3c(cn2)[C@@H]2[C@@H](C(=O)O)[C@@H]2C3)c1 | 10.1021/acs.jmedchem.1c00031 | ||
| 51350138 | 58819 | 0 | None | 660 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm101405t | ||
| CHEMBL1688473 | 58819 | 0 | None | 660 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm101405t | ||
| 51350138 | 58819 | 0 | None | 660 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/ml1000855 | ||
| CHEMBL1688473 | 58819 | 0 | None | 660 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/ml1000855 | ||
| 51350138 | 58819 | 0 | None | 660 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm3002026 | ||
| CHEMBL1688473 | 58819 | 0 | None | 660 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm3002026 | ||
| 6483 | 3855 | 54 | None | 13 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| 66553168 | 3855 | 54 | None | 13 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL2386353 | 3855 | 54 | None | 13 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| 90372613 | 167720 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 443 | 7 | 1 | 4 | 6.0 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4166625 | 167720 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 443 | 7 | 1 | 4 | 6.0 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4302869 | 167720 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 443 | 7 | 1 | 4 | 6.0 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 1050 | 1889 | 94 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/acs.jmedchem.1c00031 | ||
| 11595431 | 1889 | 94 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/acs.jmedchem.1c00031 | ||
| CHEMBL207881 | 1889 | 94 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/acs.jmedchem.1c00031 | ||
| 1050 | 1889 | 94 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/acsmedchemlett.7b00460 | ||
| 11595431 | 1889 | 94 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/acsmedchemlett.7b00460 | ||
| CHEMBL207881 | 1889 | 94 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/acsmedchemlett.7b00460 | ||
| 137653903 | 158543 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 410 | 9 | 1 | 4 | 6.2 | CCO[C@H](CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cccc3C)c2)s1 | 10.1021/acs.jmedchem.6b01357 | ||
| CHEMBL4091723 | 158543 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 410 | 9 | 1 | 4 | 6.2 | CCO[C@H](CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cccc3C)c2)s1 | 10.1021/acs.jmedchem.6b01357 | ||
| 145952673 | 162412 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 443 | 7 | 1 | 4 | 4.6 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCc4ccccc4C3)o2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4166397 | 162412 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 443 | 7 | 1 | 4 | 4.6 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCc4ccccc4C3)o2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 145990715 | 166973 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 386 | 6 | 1 | 4 | 4.1 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4288001 | 166973 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 386 | 6 | 1 | 4 | 4.1 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 24825479 | 147242 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 359 | 7 | 2 | 3 | 5.3 | O=C(O)C1CC1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| CHEMBL392869 | 147242 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 359 | 7 | 2 | 3 | 5.3 | O=C(O)C1CC1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| 1050 | 1889 | 94 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1016/j.bmcl.2020.127650 | ||
| 11595431 | 1889 | 94 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1016/j.bmcl.2020.127650 | ||
| CHEMBL207881 | 1889 | 94 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1016/j.bmcl.2020.127650 | ||
| 51350272 | 58811 | 0 | None | 107 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1ccccc1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/ml100106c | ||
| CHEMBL1688465 | 58811 | 0 | None | 107 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1ccccc1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/ml100106c | ||
| 86817649 | 122434 | 2 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 372 | 7 | 1 | 5 | 4.5 | CC(Oc1ccc(CCC(=O)O)cc1)c1nc(-c2ccc(Cl)cc2)no1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3601002 | 122434 | 2 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 372 | 7 | 1 | 5 | 4.5 | CC(Oc1ccc(CCC(=O)O)cc1)c1nc(-c2ccc(Cl)cc2)no1 | 10.1016/j.bmcl.2015.06.018 | ||
| 137636358 | 155862 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 517 | 8 | 1 | 4 | 6.8 | COc1ccc(F)c(Cc2cccc(Oc3ccc(N4C[C@@H](C(F)(F)F)C[C@H]4CC(=O)O)cc3)c2C)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4060499 | 155862 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 517 | 8 | 1 | 4 | 6.8 | COc1ccc(F)c(Cc2cccc(Oc3ccc(N4C[C@@H](C(F)(F)F)C[C@H]4CC(=O)O)cc3)c2C)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 90151428 | 158027 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 475 | 6 | 1 | 5 | 5.3 | Cc1ccccc1N1CCC(Oc2ccc(N3N=C(C(F)(F)F)[C@@H](C)[C@@H]3CC(=O)O)cc2)CC1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4085928 | 158027 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 475 | 6 | 1 | 5 | 5.3 | Cc1ccccc1N1CCC(Oc2ccc(N3N=C(C(F)(F)F)[C@@H](C)[C@@H]3CC(=O)O)cc2)CC1 | 10.1021/acs.jmedchem.7b00982 | ||
| 58218709 | 158394 | 0 | None | -4 | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 393 | 5 | 1 | 3 | 5.3 | Cc1cccc(Oc2ccc(N3C[C@@H](C(F)(F)F)C[C@H]3CC(=O)O)cc2)c1C | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4090240 | 158394 | 0 | None | -4 | 2 | Mouse | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 393 | 5 | 1 | 3 | 5.3 | Cc1cccc(Oc2ccc(N3C[C@@H](C(F)(F)F)C[C@H]3CC(=O)O)cc2)c1C | 10.1021/acs.jmedchem.6b01559 | ||
| 9995943 | 200514 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 317 | 4 | 1 | 4 | 3.5 | O=C1NC(=O)C(Cc2ccc(Oc3ccc(F)cc3)cc2)S1 | 10.1016/j.ejmech.2015.12.049 | ||
| CHEMBL598935 | 200514 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 317 | 4 | 1 | 4 | 3.5 | O=C1NC(=O)C(Cc2ccc(Oc3ccc(F)cc3)cc2)S1 | 10.1016/j.ejmech.2015.12.049 | ||
| 3514336 | 45952 | 15 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 379 | 5 | 1 | 3 | 4.0 | O=C(O)C1CC(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL1532576 | 45952 | 15 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 379 | 5 | 1 | 3 | 4.0 | O=C(O)C1CC(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1 | 10.1021/acs.jmedchem.6b01559 | ||
| 24825486 | 86771 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 331 | 7 | 2 | 2 | 5.0 | O=C(O)CCc1cccc(NCc2ccc(-c3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.084 | ||
| CHEMBL232192 | 86771 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 331 | 7 | 2 | 2 | 5.0 | O=C(O)CCc1cccc(NCc2ccc(-c3ccccc3)cc2)c1 | 10.1016/j.bmcl.2006.12.084 | ||
| 118623088 | 142102 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 446 | 7 | 1 | 3 | 6.5 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883407 | 142102 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 446 | 7 | 1 | 3 | 6.5 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 57522038 | 3856 | 60 | None | -1995 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 364 | 7 | 1 | 2 | 5.4 | OC(=O)CCc1ccc(cc1)OCc1cc(F)ccc1c1ccc(cc1)C | 10.1021/jm300215x | ||
| 6490 | 3856 | 60 | None | -1995 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 364 | 7 | 1 | 2 | 5.4 | OC(=O)CCc1ccc(cc1)OCc1cc(F)ccc1c1ccc(cc1)C | 10.1021/jm300215x | ||
| CHEMBL2058533 | 3856 | 60 | None | -1995 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 364 | 7 | 1 | 2 | 5.4 | OC(=O)CCc1ccc(cc1)OCc1cc(F)ccc1c1ccc(cc1)C | 10.1021/jm300215x | ||
| 24825498 | 153061 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 358 | 6 | 2 | 3 | 4.4 | O=C(O)CCc1ccc(NCc2cc(C(F)(F)F)cnc2Cl)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| CHEMBL397613 | 153061 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 358 | 6 | 2 | 3 | 4.4 | O=C(O)CCc1ccc(NCc2cc(C(F)(F)F)cnc2Cl)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| 24825497 | 161842 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 273 | 6 | 2 | 2 | 3.5 | O=C(O)CCc1ccc(NCc2cccc(F)c2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| CHEMBL414895 | 161842 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 273 | 6 | 2 | 2 | 3.5 | O=C(O)CCc1ccc(NCc2cccc(F)c2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| 127033354 | 139106 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 214 | 3 | 1 | 1 | 2.5 | O=C(O)CCc1ccc(C#CC2CC2)cc1 | 10.1021/acs.jmedchem.5b01962 | ||
| CHEMBL3786964 | 139106 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 214 | 3 | 1 | 1 | 2.5 | O=C(O)CCc1ccc(C#CC2CC2)cc1 | 10.1021/acs.jmedchem.5b01962 | ||
| 145973087 | 164677 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 385 | 7 | 2 | 5 | 3.5 | O=C(O)CCc1ccc(NC(=O)c2nnc(Cc3cccc(F)c3)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| CHEMBL4217225 | 164677 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 385 | 7 | 2 | 5 | 3.5 | O=C(O)CCc1ccc(NC(=O)c2nnc(Cc3cccc(F)c3)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| 145987309 | 167078 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 386 | 6 | 1 | 4 | 4.1 | CC#C[C@H](CC(=O)O)c1ccc(OC[C@@H]2COc3ccc(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4289942 | 167078 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 386 | 6 | 1 | 4 | 4.1 | CC#C[C@H](CC(=O)O)c1ccc(OC[C@@H]2COc3ccc(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 127046665 | 139735 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 370 | 7 | 1 | 5 | 4.1 | Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)n1 | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3798520 | 139735 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 370 | 7 | 1 | 5 | 4.1 | Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)n1 | 10.1016/j.ejmech.2016.03.054 | ||
| 145961656 | 161308 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 400 | 6 | 1 | 5 | 4.3 | O=C1NC(=O)C(Cc2ccc(OCCn3ccc4ccc(Cl)cc43)cc2)S1 | 10.1016/j.bmcl.2018.03.051 | ||
| CHEMBL4125720 | 161308 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 400 | 6 | 1 | 5 | 4.3 | O=C1NC(=O)C(Cc2ccc(OCCn3ccc4ccc(Cl)cc43)cc2)S1 | 10.1016/j.bmcl.2018.03.051 | ||
| 46231433 | 200544 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 315 | 4 | 1 | 4 | 3.7 | O=C1NC(=O)C(Cc2ccc(Sc3ccccc3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL599068 | 200544 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 315 | 4 | 1 | 4 | 3.7 | O=C1NC(=O)C(Cc2ccc(Sc3ccccc3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 54583582 | 62134 | 0 | None | 2 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 431 | 6 | 1 | 4 | 6.2 | CC#CC(CC(=O)O)c1ccc(OC2CCCc3nc(-c4ccc(C)cc4)sc32)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777872 | 62134 | 0 | None | 2 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 431 | 6 | 1 | 4 | 6.2 | CC#CC(CC(=O)O)c1ccc(OC2CCCc3nc(-c4ccc(C)cc4)sc32)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 145978511 | 163645 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 460 | 9 | 1 | 5 | 4.8 | CCOc1ccc(-c2cccc(COc3ccc(S(=O)(=O)CC(=O)O)cc3)c2)c(Cl)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4204628 | 163645 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 460 | 9 | 1 | 5 | 4.8 | CCOc1ccc(-c2cccc(COc3ccc(S(=O)(=O)CC(=O)O)cc3)c2)c(Cl)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| 44409877 | 74979 | 1 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 346 | 8 | 2 | 3 | 4.5 | NC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL203334 | 74979 | 1 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 346 | 8 | 2 | 3 | 4.5 | NC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 148485044 | 175346 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 453 | 11 | 2 | 5 | 5.2 | COCCOc1cc(C)c(-c2cccc(CNc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL4574808 | 175346 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 453 | 11 | 2 | 5 | 5.2 | COCCOc1cc(C)c(-c2cccc(CNc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| 155528599 | 171330 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 385 | 7 | 2 | 3 | 5.2 | O=C(O)COc1ccc(NCc2ccc(Cl)c(-c3ccccc3)c2)cc1F | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL4461611 | 171330 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 385 | 7 | 2 | 3 | 5.2 | O=C(O)COc1ccc(NCc2ccc(Cl)c(-c3ccccc3)c2)cc1F | 10.1016/j.ejmech.2019.06.087 | ||
| 561372 | 58797 | 65 | None | 20 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 256 | 6 | 1 | 2 | 3.3 | O=C(O)CCc1ccc(OCc2ccccc2)cc1 | 10.1021/jm101405t | ||
| CHEMBL1688452 | 58797 | 65 | None | 20 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 256 | 6 | 1 | 2 | 3.3 | O=C(O)CCc1ccc(OCc2ccccc2)cc1 | 10.1021/jm101405t | ||
| 90151297 | 157176 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 513 | 6 | 1 | 5 | 5.7 | C[C@@H]1C(C(F)(F)F)=NN(c2ccc(OC3CCN(c4cc(Cl)ccc4F)CC3)cc2)[C@H]1CC(=O)O | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4075946 | 157176 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 513 | 6 | 1 | 5 | 5.7 | C[C@@H]1C(C(F)(F)F)=NN(c2ccc(OC3CCN(c4cc(Cl)ccc4F)CC3)cc2)[C@H]1CC(=O)O | 10.1021/acs.jmedchem.7b00982 | ||
| 57325916 | 74078 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 488 | 11 | 1 | 4 | 6.5 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)CCC(CC(=O)O)C4)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022581 | 74078 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 488 | 11 | 1 | 4 | 6.5 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)CCC(CC(=O)O)C4)c2)c(C)c1 | 10.1021/jm2012968 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmcl.2018.07.048 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmcl.2018.07.048 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmcl.2018.07.048 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmcl.2018.07.048 | ||
| 57521811 | 76237 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 366 | 7 | 1 | 2 | 5.6 | O=C(O)CCc1ccc(OCc2ccccc2-c2ccc(Cl)cc2)cc1 | 10.1021/jm300215x | ||
| CHEMBL2058522 | 76237 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 366 | 7 | 1 | 2 | 5.6 | O=C(O)CCc1ccc(OCc2ccccc2-c2ccc(Cl)cc2)cc1 | 10.1021/jm300215x | ||
| 25150114 | 185136 | 1 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 266 | 3 | 1 | 2 | 2.9 | Cc1cccc(C#Cc2ccc(OCC(=O)O)cc2)c1 | 10.1021/jm8010178 | ||
| CHEMBL485713 | 185136 | 1 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 266 | 3 | 1 | 2 | 2.9 | Cc1cccc(C#Cc2ccc(OCC(=O)O)cc2)c1 | 10.1021/jm8010178 | ||
| 54757627 | 65310 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 269 | 3 | 1 | 2 | 2.6 | O=C(O)CCc1ccc(C#Cc2ccnc(F)c2)cc1 | 10.1021/jm2005699 | ||
| CHEMBL1829158 | 65310 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 269 | 3 | 1 | 2 | 2.6 | O=C(O)CCc1ccc(C#Cc2ccnc(F)c2)cc1 | 10.1021/jm2005699 | ||
| 127033020 | 139051 | 0 | None | 18 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 256 | 3 | 1 | 1 | 3.6 | O=C(O)CCc1ccc(C#CC2CCCCC2)cc1 | 10.1021/acs.jmedchem.5b01962 | ||
| CHEMBL3786418 | 139051 | 0 | None | 18 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 256 | 3 | 1 | 1 | 3.6 | O=C(O)CCc1ccc(C#CC2CCCCC2)cc1 | 10.1021/acs.jmedchem.5b01962 | ||
| 118637973 | 162719 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 444 | 7 | 1 | 3 | 7.1 | CSc1cccc(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4171391 | 162719 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 444 | 7 | 1 | 3 | 7.1 | CSc1cccc(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| 54586484 | 62124 | 0 | None | -2 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 339 | 5 | 1 | 3 | 4.6 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)cc2Cl)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777862 | 62124 | 0 | None | -2 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 339 | 5 | 1 | 3 | 4.6 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)cc2Cl)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 90644288 | 111928 | 0 | None | 20 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 366 | 7 | 1 | 3 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)s2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288346 | 111928 | 0 | None | 20 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 366 | 7 | 1 | 3 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)s2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 145965661 | 164074 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 450 | 7 | 1 | 4 | 4.8 | O=C(O)CS(=O)(=O)c1ccc(OCc2cccc(-c3ccccc3C(F)(F)F)c2)cc1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4209622 | 164074 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 450 | 7 | 1 | 4 | 4.8 | O=C(O)CS(=O)(=O)c1ccc(OCc2cccc(-c3ccccc3C(F)(F)F)c2)cc1 | 10.1016/j.ejmech.2017.07.001 | ||
| 71613311 | 89965 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 416 | 4 | 1 | 4 | 5.4 | Cc1cccc(C)c1-c1cccc([C@@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381305 | 89965 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 416 | 4 | 1 | 4 | 5.4 | Cc1cccc(C)c1-c1cccc([C@@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| 23157589 | 58813 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 373 | 7 | 1 | 2 | 5.6 | Cc1cccc(C)c1-c1cccc(CN(C)c2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| CHEMBL1688467 | 58813 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 373 | 7 | 1 | 2 | 5.6 | Cc1cccc(C)c1-c1cccc(CN(C)c2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| 168285003 | 191501 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 492 | 11 | 1 | 4 | 7.2 | Cc1ccc(OCCC2CCCCC2)cc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL5194153 | 191501 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 492 | 11 | 1 | 4 | 7.2 | Cc1ccc(OCCC2CCCCC2)cc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| 137658243 | 159593 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 327 | 6 | 1 | 4 | 3.9 | COc1ccc(Oc2ccc(N3CCC[C@H]3CC(=O)O)cc2)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4103345 | 159593 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 327 | 6 | 1 | 4 | 3.9 | COc1ccc(Oc2ccc(N3CCC[C@H]3CC(=O)O)cc2)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 145993621 | 167359 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 386 | 6 | 1 | 4 | 4.1 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3cccc(Cl)c3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4294975 | 167359 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 386 | 6 | 1 | 4 | 4.1 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3cccc(Cl)c3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 1049 | 362 | 75 | None | 1 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1021/jm800970b | ||
| 4618 | 362 | 75 | None | 1 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1021/jm800970b | ||
| 5280934 | 362 | 75 | None | 1 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1021/jm800970b | ||
| CHEMBL8739 | 362 | 75 | None | 1 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1021/jm800970b | ||
| DB00132 | 362 | 75 | None | 1 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 10.1021/jm800970b | ||
| 164616580 | 185303 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 297 | 4 | 2 | 1 | 4.3 | Cc1cc(F)ccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1 | 10.1021/acs.jmedchem.1c00031 | ||
| CHEMBL4859651 | 185303 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 297 | 4 | 2 | 1 | 4.3 | Cc1cc(F)ccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1 | 10.1021/acs.jmedchem.1c00031 | ||
| 90372613 | 167720 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 443 | 7 | 1 | 4 | 6.0 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4166625 | 167720 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 443 | 7 | 1 | 4 | 6.0 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4302869 | 167720 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 443 | 7 | 1 | 4 | 6.0 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 57521808 | 76234 | 0 | None | 3 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1cccc(-c2ccccc2COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm300215x | ||
| CHEMBL2058519 | 76234 | 0 | None | 3 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1cccc(-c2ccccc2COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm300215x | ||
| 71562424 | 86516 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 268 | 3 | 1 | 1 | 3.2 | O=C(O)CCc1ccc(C#Cc2ccc(F)cc2)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315544 | 86516 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 268 | 3 | 1 | 1 | 3.2 | O=C(O)CCc1ccc(C#Cc2ccc(F)cc2)cc1 | 10.1021/jm301470a | ||
| 54757732 | 65312 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 281 | 4 | 1 | 3 | 2.5 | COc1cc(C#Cc2ccc(CCC(=O)O)cc2)ccn1 | 10.1021/jm2005699 | ||
| CHEMBL1829160 | 65312 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 281 | 4 | 1 | 3 | 2.5 | COc1cc(C#Cc2ccc(CCC(=O)O)cc2)ccn1 | 10.1021/jm2005699 | ||
| 54582149 | 61776 | 0 | None | 33 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 281 | 6 | 1 | 3 | 3.2 | N#Cc1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/ml100106c | ||
| CHEMBL1773255 | 61776 | 0 | None | 33 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 281 | 6 | 1 | 3 | 3.2 | N#Cc1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/ml100106c | ||
| 57522038 | 3856 | 60 | None | -1995 | 3 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 364 | 7 | 1 | 2 | 5.4 | OC(=O)CCc1ccc(cc1)OCc1cc(F)ccc1c1ccc(cc1)C | 10.1016/j.bmc.2017.10.040 | ||
| 6490 | 3856 | 60 | None | -1995 | 3 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 364 | 7 | 1 | 2 | 5.4 | OC(=O)CCc1ccc(cc1)OCc1cc(F)ccc1c1ccc(cc1)C | 10.1016/j.bmc.2017.10.040 | ||
| CHEMBL2058533 | 3856 | 60 | None | -1995 | 3 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 364 | 7 | 1 | 2 | 5.4 | OC(=O)CCc1ccc(cc1)OCc1cc(F)ccc1c1ccc(cc1)C | 10.1016/j.bmc.2017.10.040 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmcl.2021.127969 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmcl.2021.127969 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmcl.2021.127969 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmcl.2021.127969 | ||
| 122185438 | 122653 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 325 | 8 | 1 | 4 | 3.7 | CCOC(CC(=O)O)c1ccc(OCc2cccc(C#N)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604045 | 122653 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 325 | 8 | 1 | 4 | 3.7 | CCOC(CC(=O)O)c1ccc(OCc2cccc(C#N)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 54582629 | 62126 | 0 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 355 | 5 | 1 | 3 | 5.1 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)c3ccccc23)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777864 | 62126 | 0 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 355 | 5 | 1 | 3 | 5.1 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)c3ccccc23)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 137646482 | 157727 | 0 | None | 2 | 2 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4082459 | 157727 | 0 | None | 2 | 2 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 127047529 | 139793 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 399 | 8 | 1 | 5 | 4.7 | COc1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(-c2c(C)noc2C)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3798881 | 139793 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 399 | 8 | 1 | 5 | 4.7 | COc1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(-c2c(C)noc2C)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| 127032539 | 138785 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 377 | 6 | 1 | 4 | 4.6 | Cc1ccc(C)n1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1016/j.bmc.2017.12.030 | ||
| CHEMBL3781077 | 138785 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 377 | 6 | 1 | 4 | 4.6 | Cc1ccc(C)n1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1016/j.bmc.2017.12.030 | ||
| 145970371 | 165009 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 393 | 6 | 1 | 5 | 4.8 | Cc1ccc(-c2c(C)noc2C)cc1COc1ccc2c(c1)OCC2CC(=O)O | 10.1016/j.bmc.2017.12.030 | ||
| CHEMBL4226180 | 165009 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 393 | 6 | 1 | 5 | 4.8 | Cc1ccc(-c2c(C)noc2C)cc1COc1ccc2c(c1)OCC2CC(=O)O | 10.1016/j.bmc.2017.12.030 | ||
| 54583098 | 61779 | 0 | None | 70 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 331 | 7 | 2 | 2 | 5.0 | O=C(O)CCc1ccc(NCc2cccc(-c3ccccc3)c2)cc1 | 10.1021/ml100106c | ||
| CHEMBL1773258 | 61779 | 0 | None | 70 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 331 | 7 | 2 | 2 | 5.0 | O=C(O)CCc1ccc(NCc2cccc(-c3ccccc3)c2)cc1 | 10.1021/ml100106c | ||
| 44409927 | 77552 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 535 | 8 | 2 | 4 | 7.7 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(=O)N[C@H](C)c2ccccc2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL208783 | 77552 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 535 | 8 | 2 | 4 | 7.7 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(=O)N[C@H](C)c2ccccc2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 23159951 | 58826 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 338 | 7 | 1 | 3 | 5.0 | O=C(O)CCc1ccc(OCc2cccc(-c3cccs3)c2)cc1 | 10.1021/jm101405t | ||
| CHEMBL1688480 | 58826 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 338 | 7 | 1 | 3 | 5.0 | O=C(O)CCc1ccc(OCc2cccc(-c3cccs3)c2)cc1 | 10.1021/jm101405t | ||
| 75202609 | 156714 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 494 | 7 | 1 | 4 | 5.5 | COc1ccc(F)c(N2CCC(Cc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4070443 | 156714 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 494 | 7 | 1 | 4 | 5.5 | COc1ccc(F)c(N2CCC(Cc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| 46231483 | 200773 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 311 | 4 | 1 | 4 | 2.8 | O=C1NC(=O)C(Cc2ccc(C(=O)c3ccccc3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL600658 | 200773 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 311 | 4 | 1 | 4 | 2.8 | O=C1NC(=O)C(Cc2ccc(C(=O)c3ccccc3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 145950191 | 162913 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 460 | 7 | 1 | 5 | 4.5 | CC#CC(CC(=O)O)c1ccc(OCc2cnc(C(=O)N3CCc4ccccc4C3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4174315 | 162913 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 460 | 7 | 1 | 5 | 4.5 | CC#CC(CC(=O)O)c1ccc(OCc2cnc(C(=O)N3CCc4ccccc4C3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 90372616 | 142208 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 530 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C(OC)C2CC2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3884609 | 142208 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 530 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C(OC)C2CC2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 145947998 | 167692 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cn2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4171104 | 167692 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cn2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4302546 | 167692 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cn2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| 155541840 | 173033 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 381 | 8 | 2 | 4 | 4.6 | COc1ccccc1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL4519415 | 173033 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 381 | 8 | 2 | 4 | 4.6 | COc1ccccc1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| 145975522 | 163517 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 401 | 8 | 2 | 6 | 3.5 | O=C(O)CCc1ccc(NC(=O)c2nnc(COc3ccc(F)cc3)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| CHEMBL4202901 | 163517 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 401 | 8 | 2 | 6 | 3.5 | O=C(O)CCc1ccc(NC(=O)c2nnc(COc3ccc(F)cc3)s2)cc1 | 10.1016/j.ejmech.2017.09.019 | ||
| 131986112 | 164393 | 0 | None | -3 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 538 | 11 | 1 | 7 | 6.3 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4cccc(OCCOC)c4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4213548 | 164393 | 0 | None | -3 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 538 | 11 | 1 | 7 | 6.3 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4cccc(OCCOC)c4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 145950447 | 162962 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 506 | 8 | 1 | 5 | 5.0 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4175272 | 162962 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 506 | 8 | 1 | 5 | 5.0 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 155516498 | 170098 | 0 | None | 3 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 444 | 9 | 1 | 3 | 6.1 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@H](F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4443853 | 170098 | 0 | None | 3 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 444 | 9 | 1 | 3 | 6.1 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@H](F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 132606863 | 157799 | 0 | None | 1 | 2 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4083365 | 157799 | 0 | None | 1 | 2 | Mouse | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 122193735 | 123942 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 410 | 8 | 1 | 4 | 5.2 | COc1cc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1016/j.bmc.2018.07.050 | ||
| CHEMBL3628755 | 123942 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 410 | 8 | 1 | 4 | 5.2 | COc1cc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1016/j.bmc.2018.07.050 | ||
| 142738551 | 162017 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 299 | 4 | 2 | 1 | 4.5 | O=C(O)CCc1ccc2[nH]c(-c3ccccc3Cl)cc2c1 | 10.1021/acsmedchemlett.7b00460 | ||
| CHEMBL4160141 | 162017 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 299 | 4 | 2 | 1 | 4.5 | O=C(O)CCc1ccc2[nH]c(-c3ccccc3Cl)cc2c1 | 10.1021/acsmedchemlett.7b00460 | ||
| 71612683 | 89942 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 390 | 3 | 1 | 4 | 3.9 | O=C(O)C[C@@H]1COc2cc3c(cc21)OCC(c1cccc(Br)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381281 | 89942 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 390 | 3 | 1 | 4 | 3.9 | O=C(O)C[C@@H]1COc2cc3c(cc21)OCC(c1cccc(Br)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| 1052 | 2307 | 85 | None | -5 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2008.10.085 | ||
| 3323 | 2307 | 85 | None | -5 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2008.10.085 | ||
| 5280450 | 2307 | 85 | None | -5 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2008.10.085 | ||
| CHEMBL267476 | 2307 | 85 | None | -5 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2008.10.085 | ||
| DB14104 | 2307 | 85 | None | -5 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2008.10.085 | ||
| 122184686 | 122435 | 1 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 358 | 7 | 1 | 5 | 4.0 | O=C(O)CCc1ccc(OCc2nc(-c3ccc(Cl)cc3)no2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3601003 | 122435 | 1 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 358 | 7 | 1 | 5 | 4.0 | O=C(O)CCc1ccc(OCc2nc(-c3ccc(Cl)cc3)no2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| 168281295 | 190779 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 422 | 10 | 1 | 4 | 5.3 | O=C(O)COc1ccc(OCc2cccc(-c3ccc(OCC4CC4)cc3)c2)cc1F | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL5183783 | 190779 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 422 | 10 | 1 | 4 | 5.3 | O=C(O)COc1ccc(OCc2cccc(-c3ccc(OCC4CC4)cc3)c2)cc1F | 10.1016/j.bmc.2022.116615 | ||
| 168294961 | 192393 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 382 | 8 | 1 | 4 | 4.5 | COc1cccc(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL5208111 | 192393 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 382 | 8 | 1 | 4 | 4.5 | COc1cccc(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| 23111754 | 74019 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 414 | 6 | 1 | 2 | 6.8 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCCCC3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| CHEMBL2022245 | 74019 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 414 | 6 | 1 | 2 | 6.8 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCCCC3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| 1052 | 2307 | 85 | None | -5 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2008.10.085 | ||
| 3323 | 2307 | 85 | None | -5 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2008.10.085 | ||
| 5280450 | 2307 | 85 | None | -5 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2008.10.085 | ||
| CHEMBL267476 | 2307 | 85 | None | -5 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2008.10.085 | ||
| DB14104 | 2307 | 85 | None | -5 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2008.10.085 | ||
| 90644289 | 111929 | 0 | None | -8 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 367 | 7 | 1 | 4 | 5.0 | Cc1cccc(C)c1-c1cccc(COc2ncc(CCC(=O)O)s2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288347 | 111929 | 0 | None | -8 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 367 | 7 | 1 | 4 | 5.0 | Cc1cccc(C)c1-c1cccc(COc2ncc(CCC(=O)O)s2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 145947764 | 167678 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 505 | 8 | 1 | 4 | 6.4 | O=C(O)C[C@@H]1COc2cc(OCc3cccc(-c4cccc5c4CCN(Cc4ccccc4)C5)c3)ccc21 | 10.1016/j.bmcl.2018.07.048 | ||
| CHEMBL4238097 | 167678 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 505 | 8 | 1 | 4 | 6.4 | O=C(O)C[C@@H]1COc2cc(OCc3cccc(-c4cccc5c4CCN(Cc4ccccc4)C5)c3)ccc21 | 10.1016/j.bmcl.2018.07.048 | ||
| CHEMBL4302391 | 167678 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 505 | 8 | 1 | 4 | 6.4 | O=C(O)C[C@@H]1COc2cc(OCc3cccc(-c4cccc5c4CCN(Cc4ccccc4)C5)c3)ccc21 | 10.1016/j.bmcl.2018.07.048 | ||
| 134153562 | 152699 | 0 | None | -758 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 394 | 7 | 1 | 3 | 4.9 | O=C(O)CCCOc1c(F)cc(-c2cc(OC(F)(F)F)ccc2F)cc1F | 10.1016/j.bmcl.2016.10.054 | ||
| CHEMBL3973101 | 152699 | 0 | None | -758 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 394 | 7 | 1 | 3 | 4.9 | O=C(O)CCCOc1c(F)cc(-c2cc(OC(F)(F)F)ccc2F)cc1F | 10.1016/j.bmcl.2016.10.054 | ||
| 118637974 | 162014 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 398 | 6 | 1 | 2 | 6.4 | O=C(O)C[C@H](c1ccc2c(c1)OC(c1ccc(-c3ccccc3)cc1)CC2)C1CC1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4160127 | 162014 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 398 | 6 | 1 | 2 | 6.4 | O=C(O)C[C@H](c1ccc2c(c1)OC(c1ccc(-c3ccccc3)cc1)CC2)C1CC1 | 10.1021/acsmedchemlett.8b00149 | ||
| 134130787 | 142241 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 471 | 7 | 1 | 4 | 6.4 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C#N)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3884916 | 142241 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 471 | 7 | 1 | 4 | 6.4 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C#N)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 155527626 | 171207 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 554 | 9 | 1 | 3 | 9.0 | COc1ccc(F)c(-c2ccc3c(c2C2=CCCC2(C)C)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4459709 | 171207 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 554 | 9 | 1 | 3 | 9.0 | COc1ccc(F)c(-c2ccc3c(c2C2=CCCC2(C)C)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 46231844 | 200513 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 430 | 4 | 1 | 5 | 5.1 | Cc1cc(Oc2ncc(C(F)(F)F)cc2Cl)cc(C)c1CC1SC(=O)NC1=O | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL598934 | 200513 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 430 | 4 | 1 | 5 | 5.1 | Cc1cc(Oc2ncc(C(F)(F)F)cc2Cl)cc(C)c1CC1SC(=O)NC1=O | 10.1016/j.bmcl.2009.10.052 | ||
| 46231487 | 202424 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 313 | 4 | 1 | 4 | 3.7 | Cc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL611084 | 202424 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 313 | 4 | 1 | 4 | 3.7 | Cc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc1 | 10.1016/j.bmcl.2009.10.052 | ||
| 118645756 | 181438 | 7 | None | -2 | 3 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 479 | 11 | 1 | 6 | 5.4 | COc1cc(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2CC(C)C)c(F)cn1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4764485 | 181438 | 7 | None | -2 | 3 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 479 | 11 | 1 | 6 | 5.4 | COc1cc(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2CC(C)C)c(F)cn1 | 10.1016/j.bmcl.2018.01.013 | ||
| 155527487 | 171192 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 460 | 8 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc3c(c2)CC[C@@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4459517 | 171192 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 460 | 8 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc3c(c2)CC[C@@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 561372 | 58797 | 65 | None | 20 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 256 | 6 | 1 | 2 | 3.3 | O=C(O)CCc1ccc(OCc2ccccc2)cc1 | 10.1021/jm300215x | ||
| CHEMBL1688452 | 58797 | 65 | None | 20 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 256 | 6 | 1 | 2 | 3.3 | O=C(O)CCc1ccc(OCc2ccccc2)cc1 | 10.1021/jm300215x | ||
| 145978233 | 163567 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 432 | 7 | 2 | 4 | 5.6 | COc1cc(C)c(-c2cccc(COc3ccc4c(c3)C(O)CC4CC(=O)O)c2)c(C)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4203471 | 163567 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 432 | 7 | 2 | 4 | 5.6 | COc1cc(C)c(-c2cccc(COc3ccc4c(c3)C(O)CC4CC(=O)O)c2)c(C)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| 145976608 | 163733 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 421 | 7 | 1 | 6 | 3.7 | Cc1nc(-c2ccccc2F)sc1COc1ccc(S(=O)(=O)CC(=O)O)cc1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4205537 | 163733 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 421 | 7 | 1 | 6 | 3.7 | Cc1nc(-c2ccccc2F)sc1COc1ccc(S(=O)(=O)CC(=O)O)cc1 | 10.1016/j.ejmech.2017.07.001 | ||
| 54585039 | 61773 | 5 | None | 17 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 334 | 6 | 1 | 2 | 4.0 | O=C(O)CCc1ccc(OCc2ccc(Br)cc2)cc1 | 10.1021/ml100106c | ||
| CHEMBL1773252 | 61773 | 5 | None | 17 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 334 | 6 | 1 | 2 | 4.0 | O=C(O)CCc1ccc(OCc2ccc(Br)cc2)cc1 | 10.1021/ml100106c | ||
| 1052 | 2307 | 85 | None | -5 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2008.10.085 | ||
| 3323 | 2307 | 85 | None | -5 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2008.10.085 | ||
| 5280450 | 2307 | 85 | None | -5 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2008.10.085 | ||
| CHEMBL267476 | 2307 | 85 | None | -5 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2008.10.085 | ||
| DB14104 | 2307 | 85 | None | -5 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 10.1016/j.bmcl.2008.10.085 | ||
| 134151151 | 154496 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 513 | 10 | 1 | 4 | 6.3 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccccc3)CCO4)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| CHEMBL3963542 | 154496 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 513 | 10 | 1 | 4 | 6.3 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccccc3)CCO4)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| CHEMBL3990756 | 154496 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 513 | 10 | 1 | 4 | 6.3 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccccc3)CCO4)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| 51031010 | 156607 | 0 | None | 3 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 409 | 6 | 1 | 4 | 5.0 | COc1ccc(Oc2ccc(N3C[C@@H](C(F)(F)F)C[C@H]3CC(=O)O)cc2)c(C)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4069191 | 156607 | 0 | None | 3 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 409 | 6 | 1 | 4 | 5.0 | COc1ccc(Oc2ccc(N3C[C@@H](C(F)(F)F)C[C@H]3CC(=O)O)cc2)c(C)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 51357276 | 181983 | 0 | None | -10 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 508 | 8 | 1 | 4 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4780641 | 181983 | 0 | None | -10 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 508 | 8 | 1 | 4 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 71612896 | 89953 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 552 | 9 | 1 | 7 | 5.2 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc([C@@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381293 | 89953 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 552 | 9 | 1 | 7 | 5.2 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc([C@@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| 46231653 | 201090 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 368 | 4 | 1 | 5 | 3.8 | O=C1NC(=O)C(Cc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL603064 | 201090 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 368 | 4 | 1 | 5 | 3.8 | O=C1NC(=O)C(Cc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 118642379 | 142094 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883354 | 142094 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 71615468 | 89962 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 576 | 9 | 1 | 7 | 5.4 | CS(=O)(=O)CCCOc1ccc(-c2ccc(F)c(C3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c(Cl)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381302 | 89962 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 576 | 9 | 1 | 7 | 5.4 | CS(=O)(=O)CCCOc1ccc(-c2ccc(F)c(C3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c(Cl)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| 71613316 | 89970 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 422 | 4 | 1 | 4 | 5.5 | O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@H](c1cccc(-c2ccccc2Cl)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381310 | 89970 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 422 | 4 | 1 | 4 | 5.5 | O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@H](c1cccc(-c2ccccc2Cl)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| 75511302 | 122427 | 3 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 341 | 7 | 1 | 4 | 4.1 | O=C(O)CCc1ccc(OCc2coc(-c3cccc(F)c3)n2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3600995 | 122427 | 3 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 341 | 7 | 1 | 4 | 4.1 | O=C(O)CCc1ccc(OCc2coc(-c3cccc(F)c3)n2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| 122185445 | 122663 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 370 | 7 | 1 | 3 | 5.8 | CCOC(CC(=O)O)c1ccc(Oc2ccc(Cl)c3ccccc23)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604055 | 122663 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 370 | 7 | 1 | 3 | 5.8 | CCOC(CC(=O)O)c1ccc(Oc2ccc(Cl)c3ccccc23)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 58218542 | 156742 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 297 | 5 | 1 | 3 | 3.9 | O=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4070703 | 156742 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 297 | 5 | 1 | 3 | 3.9 | O=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 122185449 | 122667 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 327 | 7 | 1 | 4 | 3.7 | CCO[C@@H](CC(=O)O)c1ccc(OC2CCc3ncccc32)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604059 | 122667 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 327 | 7 | 1 | 4 | 3.7 | CCO[C@@H](CC(=O)O)c1ccc(OC2CCc3ncccc32)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 58218638 | 157412 | 0 | None | -75 | 2 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 311 | 5 | 1 | 3 | 4.2 | Cc1ccccc1Oc1ccc(N2CCC[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4078852 | 157412 | 0 | None | -75 | 2 | Mouse | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 311 | 5 | 1 | 3 | 4.2 | Cc1ccccc1Oc1ccc(N2CCC[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 51350272 | 58811 | 0 | None | 107 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1ccccc1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/ml100106c | ||
| CHEMBL1688465 | 58811 | 0 | None | 107 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1ccccc1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/ml100106c | ||
| 11739868 | 75519 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 359 | 7 | 2 | 3 | 5.3 | O=C(O)[C@@H]1C[C@H]1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL204455 | 75519 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 359 | 7 | 2 | 3 | 5.3 | O=C(O)[C@@H]1C[C@H]1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 25149900 | 172599 | 1 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 268 | 3 | 2 | 3 | 2.3 | O=C(O)COc1ccc(C#Cc2cccc(O)c2)cc1 | 10.1021/jm8010178 | ||
| CHEMBL449321 | 172599 | 1 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 268 | 3 | 2 | 3 | 2.3 | O=C(O)COc1ccc(C#Cc2cccc(O)c2)cc1 | 10.1021/jm8010178 | ||
| 23136363 | 58803 | 0 | None | 14 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 348 | 8 | 1 | 3 | 5.1 | O=C(O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL1688458 | 58803 | 0 | None | 14 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 348 | 8 | 1 | 3 | 5.1 | O=C(O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2017.01.034 | ||
| 137661929 | 159482 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 410 | 9 | 1 | 4 | 6.2 | CCOC(CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cccc3C)c2)s1 | 10.1021/acs.jmedchem.6b01357 | ||
| CHEMBL4101950 | 159482 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 410 | 9 | 1 | 4 | 6.2 | CCOC(CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cccc3C)c2)s1 | 10.1021/acs.jmedchem.6b01357 | ||
| 145959598 | 162331 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 459 | 7 | 1 | 4 | 5.1 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCc4ccccc4C3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4165046 | 162331 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 459 | 7 | 1 | 4 | 5.1 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCc4ccccc4C3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00202 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00202 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00202 | ||
| 145964820 | 164278 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 440 | 8 | 1 | 5 | 4.4 | COc1cc(C)c(-c2cccc(COc3ccc(S(=O)(=O)CC(=O)O)cc3)c2)c(C)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4212170 | 164278 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 440 | 8 | 1 | 5 | 4.4 | COc1cc(C)c(-c2cccc(COc3ccc(S(=O)(=O)CC(=O)O)cc3)c2)c(C)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| 23136363 | 58803 | 0 | None | 14 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 348 | 8 | 1 | 3 | 5.1 | O=C(O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1 | 10.1021/ml100106c | ||
| CHEMBL1688458 | 58803 | 0 | None | 14 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 348 | 8 | 1 | 3 | 5.1 | O=C(O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1 | 10.1021/ml100106c | ||
| 58218672 | 156697 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 327 | 5 | 1 | 3 | 4.6 | Cc1ccccc1Sc1ccc(N2CCC[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4070270 | 156697 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 327 | 5 | 1 | 3 | 4.6 | Cc1ccccc1Sc1ccc(N2CCC[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 57325678 | 74025 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 387 | 6 | 1 | 3 | 5.4 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(n2)CCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022250 | 74025 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 387 | 6 | 1 | 3 | 5.4 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(n2)CCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| 58319142 | 86489 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 280 | 4 | 2 | 2 | 2.6 | O=C(O)CCc1ccc(C#Cc2ccccc2CO)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315249 | 86489 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 280 | 4 | 2 | 2 | 2.6 | O=C(O)CCc1ccc(C#Cc2ccccc2CO)cc1 | 10.1021/jm301470a | ||
| 86803224 | 122425 | 24 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 337 | 7 | 1 | 4 | 4.2 | Cc1oc(-c2ccccc2)nc1COc1ccc(CCC(=O)O)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3600993 | 122425 | 24 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 337 | 7 | 1 | 4 | 4.2 | Cc1oc(-c2ccccc2)nc1COc1ccc(CCC(=O)O)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| 57398938 | 69997 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 370 | 7 | 1 | 2 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2cccc(-c3ccccc3)c2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| CHEMBL1939653 | 69997 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 370 | 7 | 1 | 2 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2cccc(-c3ccccc3)c2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| 134130352 | 142120 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 540 | 8 | 1 | 3 | 8.7 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C2=CCCC2(C)C)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883532 | 142120 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 540 | 8 | 1 | 3 | 8.7 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C2=CCCC2(C)C)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 153213696 | 175489 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 351 | 7 | 2 | 3 | 4.6 | O=C(O)COc1ccc(NCc2cccc(-c3ccccc3)c2)cc1F | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL4577954 | 175489 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 351 | 7 | 2 | 3 | 4.6 | O=C(O)COc1ccc(NCc2cccc(-c3ccccc3)c2)cc1F | 10.1016/j.ejmech.2019.06.087 | ||
| 25150118 | 186666 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 295 | 4 | 1 | 3 | 3.0 | O=C(O)CCc1ccc(C#Cc2cccc([N+](=O)[O-])c2)cc1 | 10.1021/jm8010178 | ||
| CHEMBL488396 | 186666 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 295 | 4 | 1 | 3 | 3.0 | O=C(O)CCc1ccc(C#Cc2cccc([N+](=O)[O-])c2)cc1 | 10.1021/jm8010178 | ||
| 44409916 | 138873 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 434 | 7 | 2 | 4 | 6.3 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(C(C)CC(=O)O)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL378275 | 138873 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 434 | 7 | 2 | 4 | 6.3 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(C(C)CC(=O)O)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 57393689 | 69984 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 380 | 8 | 1 | 3 | 5.0 | COc1ccc(COc2ccc(C(CC(=O)O)c3ccc(F)cc3)cc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| CHEMBL1939640 | 69984 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 380 | 8 | 1 | 3 | 5.0 | COc1ccc(COc2ccc(C(CC(=O)O)c3ccc(F)cc3)cc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| 137632053 | 156333 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 386 | 8 | 1 | 4 | 5.2 | COc1ccc(F)c(-c2cccc(COc3ccc(CCC(=O)O)s3)c2)c1 | 10.1021/acs.jmedchem.6b01357 | ||
| CHEMBL4065959 | 156333 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 386 | 8 | 1 | 4 | 5.2 | COc1ccc(F)c(-c2cccc(COc3ccc(CCC(=O)O)s3)c2)c1 | 10.1021/acs.jmedchem.6b01357 | ||
| 122185433 | 122638 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 391 | 9 | 1 | 5 | 3.1 | CCOC(CC(=O)NS(C)(=O)=O)c1ccc(OCc2ccccc2C)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604031 | 122638 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 391 | 9 | 1 | 5 | 3.1 | CCOC(CC(=O)NS(C)(=O)=O)c1ccc(OCc2ccccc2C)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 127051658 | 140261 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 401 | 8 | 2 | 6 | 3.5 | O=C(O)CCc1ccc(OCc2nnc(C(=O)Nc3ccccc3F)s2)cc1 | 10.1016/j.bmc.2016.04.065 | ||
| CHEMBL3805888 | 140261 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 401 | 8 | 2 | 6 | 3.5 | O=C(O)CCc1ccc(OCc2nnc(C(=O)Nc3ccccc3F)s2)cc1 | 10.1016/j.bmc.2016.04.065 | ||
| 127050770 | 140266 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 419 | 8 | 2 | 6 | 3.7 | O=C(O)CCc1ccc(OCc2nnc(C(=O)Nc3ccc(F)c(F)c3)s2)cc1 | 10.1016/j.bmc.2016.04.065 | ||
| CHEMBL3805952 | 140266 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 419 | 8 | 2 | 6 | 3.7 | O=C(O)CCc1ccc(OCc2nnc(C(=O)Nc3ccc(F)c(F)c3)s2)cc1 | 10.1016/j.bmc.2016.04.065 | ||
| 145991380 | 166961 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 428 | 7 | 1 | 6 | 3.9 | Cn1ccnc1C(CC(=O)O)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4287775 | 166961 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 428 | 7 | 1 | 6 | 3.9 | Cn1ccnc1C(CC(=O)O)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 155513821 | 169790 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 460 | 8 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@@H](C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4439462 | 169790 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 460 | 8 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@@H](C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 146763588 | 173766 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 515 | 12 | 2 | 6 | 5.0 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL4537797 | 173766 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 515 | 12 | 2 | 6 | 5.0 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| 90151022 | 158306 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 509 | 7 | 1 | 6 | 5.1 | COc1cccc(F)c1N1CCC(Oc2ccc(N3N=C(C(F)(F)F)[C@@H](C)[C@@H]3CC(=O)O)cc2)CC1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4089313 | 158306 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 509 | 7 | 1 | 6 | 5.1 | COc1cccc(F)c1N1CCC(Oc2ccc(N3N=C(C(F)(F)F)[C@@H](C)[C@@H]3CC(=O)O)cc2)CC1 | 10.1021/acs.jmedchem.7b00982 | ||
| 118144976 | 171230 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 446 | 8 | 1 | 3 | 6.5 | COc1ccc(F)c(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@@H](CC(=O)O)C3CC3)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4460109 | 171230 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 446 | 8 | 1 | 3 | 6.5 | COc1ccc(F)c(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@@H](CC(=O)O)C3CC3)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 54586484 | 62124 | 0 | None | -2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 339 | 5 | 1 | 3 | 4.6 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)cc2Cl)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777862 | 62124 | 0 | None | -2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 339 | 5 | 1 | 3 | 4.6 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)cc2Cl)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 59541 | 176312 | 92 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 168 | 3 | 1 | 2 | 1.9 | O=C(O)CSc1ccccc1 | 10.1016/j.bmcl.2021.127969 | ||
| CHEMBL459548 | 176312 | 92 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 168 | 3 | 1 | 2 | 1.9 | O=C(O)CSc1ccccc1 | 10.1016/j.bmcl.2021.127969 | ||
| 90655861 | 111223 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 506 | 10 | 1 | 5 | 7.1 | CC[C@H](CC(=O)O)c1ccnc(OCc2ccc(-c3cc(OC)ncc3F)c([C@@H]3CCCC3(C)C)c2)c1 | 10.1021/ml4005123 | ||
| CHEMBL3265145 | 111223 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 506 | 10 | 1 | 5 | 7.1 | CC[C@H](CC(=O)O)c1ccnc(OCc2ccc(-c3cc(OC)ncc3F)c([C@@H]3CCCC3(C)C)c2)c1 | 10.1021/ml4005123 | ||
| 73891117 | 114236 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 522 | 8 | 1 | 4 | 7.1 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4N=C(c5ccccc5)C(C)C4CC(=O)O)cc3)c(C)c2)c1 | 10.1016/j.bmcl.2016.10.074 | ||
| CHEMBL3330550 | 114236 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 522 | 8 | 1 | 4 | 7.1 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4N=C(c5ccccc5)C(C)C4CC(=O)O)cc3)c(C)c2)c1 | 10.1016/j.bmcl.2016.10.074 | ||
| 6483 | 3855 | 54 | None | 13 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/ml4000673 | ||
| 66553168 | 3855 | 54 | None | 13 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/ml4000673 | ||
| CHEMBL2386353 | 3855 | 54 | None | 13 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/ml4000673 | ||
| 131986035 | 164033 | 0 | None | 5 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 612 | 10 | 1 | 8 | 6.1 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCC5(C)CS(=O)(=O)C5)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4209136 | 164033 | 0 | None | 5 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 612 | 10 | 1 | 8 | 6.1 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCC5(C)CS(=O)(=O)C5)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 51350138 | 58819 | 0 | None | 660 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2005699 | ||
| CHEMBL1688473 | 58819 | 0 | None | 660 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2005699 | ||
| 51350138 | 58819 | 0 | None | 660 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm3002026 | ||
| CHEMBL1688473 | 58819 | 0 | None | 660 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm3002026 | ||
| 146316684 | 171541 | 0 | None | -3 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 458 | 9 | 1 | 3 | 6.5 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@](C)(F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4464769 | 171541 | 0 | None | -3 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 458 | 9 | 1 | 3 | 6.5 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@](C)(F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 68194743 | 182524 | 12 | None | -5 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 499 | 8 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4787498 | 182524 | 12 | None | -5 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 499 | 8 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 6483 | 3855 | 54 | None | 13 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/ml4000673 | ||
| 66553168 | 3855 | 54 | None | 13 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/ml4000673 | ||
| CHEMBL2386353 | 3855 | 54 | None | 13 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/ml4000673 | ||
| 45107281 | 119097 | 3 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 368 | 8 | 1 | 3 | 5.1 | CCOC(CC(=O)O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 | 10.1021/ml500391n | ||
| CHEMBL3427702 | 119097 | 3 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 368 | 8 | 1 | 3 | 5.1 | CCOC(CC(=O)O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 | 10.1021/ml500391n | ||
| 45107281 | 119097 | 3 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 368 | 8 | 1 | 3 | 5.1 | CCOC(CC(=O)O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3427702 | 119097 | 3 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 368 | 8 | 1 | 3 | 5.1 | CCOC(CC(=O)O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 67087246 | 182853 | 5 | None | -12 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 493 | 8 | 1 | 3 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4791842 | 182853 | 5 | None | -12 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 493 | 8 | 1 | 3 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 23157191 | 58812 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 359 | 7 | 2 | 2 | 5.6 | Cc1cccc(C)c1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| CHEMBL1688466 | 58812 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 359 | 7 | 2 | 2 | 5.6 | Cc1cccc(C)c1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| 59590895 | 111228 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 521 | 9 | 1 | 5 | 6.9 | COc1cc(-c2ccc(COc3ccc4c(c3)[C@@](C)(CC(=O)O)CC4)cc2[C@H](OC)C(C)(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| CHEMBL3265150 | 111228 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 521 | 9 | 1 | 5 | 6.9 | COc1cc(-c2ccc(COc3ccc4c(c3)[C@@](C)(CC(=O)O)CC4)cc2[C@H](OC)C(C)(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| 11674915 | 58832 | 1 | None | 1 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 360 | 7 | 1 | 2 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL1688486 | 58832 | 1 | None | 1 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 360 | 7 | 1 | 2 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 118638010 | 167541 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 480 | 7 | 1 | 5 | 5.7 | COc1cc(-c2cnc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4165008 | 167541 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 480 | 7 | 1 | 5 | 5.7 | COc1cc(-c2cnc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4300503 | 167541 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 480 | 7 | 1 | 5 | 5.7 | COc1cc(-c2cnc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 146316684 | 171541 | 0 | None | 3 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 458 | 9 | 1 | 3 | 6.5 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@](C)(F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4464769 | 171541 | 0 | None | 3 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 458 | 9 | 1 | 3 | 6.5 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@](C)(F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 44409677 | 141206 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 447 | 6 | 3 | 5 | 5.4 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(=O)NO)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL382915 | 141206 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 447 | 6 | 3 | 5 | 5.4 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(=O)NO)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 46854655 | 394 | 47 | None | -8 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/ml300133f | ||
| 6485 | 394 | 47 | None | -8 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/ml300133f | ||
| CHEMBL1829173 | 394 | 47 | None | -8 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/ml300133f | ||
| 155527487 | 171192 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 460 | 8 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc3c(c2)CC[C@@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4459517 | 171192 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 460 | 8 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc3c(c2)CC[C@@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 90150977 | 156145 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 521 | 7 | 1 | 5 | 6.2 | CC(C)c1ccc(F)c(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4063905 | 156145 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 521 | 7 | 1 | 5 | 6.2 | CC(C)c1ccc(F)c(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| 15659413 | 98697 | 1 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 294 | 6 | 3 | 5 | 3.3 | CC(C)CC(=O)c1c(O)cc(O)c(C(=O)CC(C)C)c1O | 10.1016/j.bmcl.2008.10.085 | ||
| CHEMBL277845 | 98697 | 1 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 294 | 6 | 3 | 5 | 3.3 | CC(C)CC(=O)c1c(O)cc(O)c(C(=O)CC(C)C)c1O | 10.1016/j.bmcl.2008.10.085 | ||
| 57521702 | 76233 | 0 | None | 11 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1ccccc1-c1ccccc1COc1ccc(CCC(=O)O)cc1 | 10.1021/jm300215x | ||
| CHEMBL2058518 | 76233 | 0 | None | 11 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1ccccc1-c1ccccc1COc1ccc(CCC(=O)O)cc1 | 10.1021/jm300215x | ||
| 57521916 | 76244 | 0 | None | -2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 366 | 7 | 1 | 2 | 5.6 | O=C(O)CCc1ccc(OCc2cc(Cl)ccc2-c2ccccc2)cc1 | 10.1021/jm300215x | ||
| CHEMBL2058529 | 76244 | 0 | None | -2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 366 | 7 | 1 | 2 | 5.6 | O=C(O)CCc1ccc(OCc2cc(Cl)ccc2-c2ccccc2)cc1 | 10.1021/jm300215x | ||
| 54757516 | 65299 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 285 | 3 | 1 | 2 | 3.2 | O=C(O)CCc1ccc(C#Cc2cccnc2Cl)cc1 | 10.1021/jm2005699 | ||
| CHEMBL1829148 | 65299 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 285 | 3 | 1 | 2 | 3.2 | O=C(O)CCc1ccc(C#Cc2cccnc2Cl)cc1 | 10.1021/jm2005699 | ||
| 44634023 | 65295 | 1 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 251 | 3 | 1 | 2 | 2.5 | O=C(O)CCc1ccc(C#Cc2cccnc2)cc1 | 10.1021/jm2005699 | ||
| CHEMBL1829144 | 65295 | 1 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 251 | 3 | 1 | 2 | 2.5 | O=C(O)CCc1ccc(C#Cc2cccnc2)cc1 | 10.1021/jm2005699 | ||
| 15659413 | 98697 | 1 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 294 | 6 | 3 | 5 | 3.3 | CC(C)CC(=O)c1c(O)cc(O)c(C(=O)CC(C)C)c1O | 10.1016/j.bmcl.2008.10.085 | ||
| CHEMBL277845 | 98697 | 1 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 294 | 6 | 3 | 5 | 3.3 | CC(C)CC(=O)c1c(O)cc(O)c(C(=O)CC(C)C)c1O | 10.1016/j.bmcl.2008.10.085 | ||
| 122193975 | 123953 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 502 | 12 | 1 | 6 | 4.7 | Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL3629049 | 123953 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 502 | 12 | 1 | 6 | 4.7 | Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| 67087173 | 182436 | 0 | None | -8 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 522 | 8 | 1 | 4 | 6.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4786335 | 182436 | 0 | None | -8 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 522 | 8 | 1 | 4 | 6.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 134130696 | 142112 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 490 | 9 | 1 | 4 | 6.7 | COCc1cc(C2CCc3ccc([C@@H](CC(=O)O)C4CC4)cc3O2)ccc1-c1cc(OC)ccc1F | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883449 | 142112 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 490 | 9 | 1 | 4 | 6.7 | COCc1cc(C2CCc3ccc([C@@H](CC(=O)O)C4CC4)cc3O2)ccc1-c1cc(OC)ccc1F | 10.1021/acsmedchemlett.6b00443 | ||
| 127031413 | 138832 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 421 | 8 | 1 | 5 | 5.0 | CCOc1ccc(COc2ccc3c(c2)OCC3CC(=O)O)cc1-n1c(C)ccc1C | 10.1016/j.bmc.2016.03.014 | ||
| CHEMBL3781733 | 138832 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 421 | 8 | 1 | 5 | 5.0 | CCOc1ccc(COc2ccc3c(c2)OCC3CC(=O)O)cc1-n1c(C)ccc1C | 10.1016/j.bmc.2016.03.014 | ||
| 145983006 | 165455 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 499 | 13 | 1 | 7 | 5.1 | Cc1cc(OCCCO[N+](=O)[O-])cc(C)c1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2018.07.050 | ||
| CHEMBL4240026 | 165455 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 499 | 13 | 1 | 7 | 5.1 | Cc1cc(OCCCO[N+](=O)[O-])cc(C)c1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2018.07.050 | ||
| 71615669 | 89974 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 430 | 4 | 1 | 4 | 5.7 | Cc1cc(C)c(-c2cccc(C3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c(C)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381314 | 89974 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 430 | 4 | 1 | 4 | 5.7 | Cc1cc(C)c(-c2cccc(C3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c(C)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| 86803186 | 122436 | 2 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 4.4 | O=C(O)CCc1ccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3601004 | 122436 | 2 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 392 | 7 | 1 | 5 | 4.4 | O=C(O)CCc1ccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| 168291030 | 191874 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 424 | 10 | 1 | 4 | 5.6 | CCCOc1ccc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL5199948 | 191874 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 424 | 10 | 1 | 4 | 5.6 | CCCOc1ccc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| 145956739 | 162113 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 468 | 8 | 1 | 5 | 4.4 | O=C(O)CCc1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4161630 | 162113 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 468 | 8 | 1 | 5 | 4.4 | O=C(O)CCc1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 145986077 | 166427 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 342 | 4 | 1 | 2 | 4.7 | Cc1ccccc1-c1cccc(COc2ccc(C#CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2018.08.075 | ||
| CHEMBL4277789 | 166427 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 342 | 4 | 1 | 2 | 4.7 | Cc1ccccc1-c1cccc(COc2ccc(C#CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2018.08.075 | ||
| 137629985 | 161000 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 544 | 12 | 1 | 6 | 5.9 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ccncc3)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4101306 | 161000 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 544 | 12 | 1 | 6 | 5.9 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ccncc3)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4116362 | 161000 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 544 | 12 | 1 | 6 | 5.9 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3ccncc3)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| 137650498 | 157298 | 0 | None | -2 | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 382 | 5 | 1 | 5 | 4.3 | Cc1nn(-c2ccccn2)c2cc(-c3ccc(CCC(=O)O)cc3C#N)ccc12 | 10.1021/acs.jmedchem.7b00210 | ||
| CHEMBL4077353 | 157298 | 0 | None | -2 | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 382 | 5 | 1 | 5 | 4.3 | Cc1nn(-c2ccccn2)c2cc(-c3ccc(CCC(=O)O)cc3C#N)ccc12 | 10.1021/acs.jmedchem.7b00210 | ||
| 137640163 | 156824 | 0 | None | -5 | 2 | Mouse | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 372 | 5 | 1 | 5 | 4.4 | Cc1nn(-c2ccccn2)c2cc(-c3ccc(C(C)CC(=O)O)cc3)ncc12 | 10.1021/acs.jmedchem.7b00210 | ||
| CHEMBL4071523 | 156824 | 0 | None | -5 | 2 | Mouse | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 372 | 5 | 1 | 5 | 4.4 | Cc1nn(-c2ccccn2)c2cc(-c3ccc(C(C)CC(=O)O)cc3)ncc12 | 10.1021/acs.jmedchem.7b00210 | ||
| 127025285 | 137646 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 457 | 6 | 1 | 4 | 5.8 | O=C1NC(=O)C(Cc2ccc(OCc3cccc(-c4ccc(C(F)(F)F)cc4)c3)cc2)S1 | 10.1016/j.ejmech.2015.12.049 | ||
| CHEMBL3758553 | 137646 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 457 | 6 | 1 | 4 | 5.8 | O=C1NC(=O)C(Cc2ccc(OCc3cccc(-c4ccc(C(F)(F)F)cc4)c3)cc2)S1 | 10.1016/j.ejmech.2015.12.049 | ||
| 73356514 | 90346 | 0 | None | -2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 404 | 8 | 1 | 4 | 2.8 | CS(=O)(=O)CCOCc1ccccc1C#Cc1ccc(CCC(=O)O)c(F)c1 | 10.1021/ml4000673 | ||
| CHEMBL2386368 | 90346 | 0 | None | -2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 404 | 8 | 1 | 4 | 2.8 | CS(=O)(=O)CCOCc1ccccc1C#Cc1ccc(CCC(=O)O)c(F)c1 | 10.1021/ml4000673 | ||
| 54757514 | 65297 | 1 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 265 | 3 | 1 | 2 | 2.8 | Cc1cccc(C#Cc2ccc(CCC(=O)O)cc2)n1 | 10.1021/jm2005699 | ||
| CHEMBL1829146 | 65297 | 1 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 265 | 3 | 1 | 2 | 2.8 | Cc1cccc(C#Cc2ccc(CCC(=O)O)cc2)n1 | 10.1021/jm2005699 | ||
| 44319268 | 107144 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 313 | 5 | 1 | 4 | 3.2 | O=C1NC(=O)C(Cc2ccc(OCc3ccccc3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL316370 | 107144 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 313 | 5 | 1 | 4 | 3.2 | O=C1NC(=O)C(Cc2ccc(OCc3ccccc3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 67058273 | 119103 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 340 | 7 | 1 | 3 | 4.7 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCCc3ccccc32)cc1 | 10.1021/ml500391n | ||
| CHEMBL3427708 | 119103 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 340 | 7 | 1 | 3 | 4.7 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCCc3ccccc32)cc1 | 10.1021/ml500391n | ||
| 67058273 | 119103 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 340 | 7 | 1 | 3 | 4.7 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCCc3ccccc32)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3427708 | 119103 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 340 | 7 | 1 | 3 | 4.7 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCCc3ccccc32)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 121294396 | 179636 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 603 | 12 | 1 | 7 | 6.5 | COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(COc3cccc(C(CC(=O)O)OC)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4743254 | 179636 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 603 | 12 | 1 | 7 | 6.5 | COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(COc3cccc(C(CC(=O)O)OC)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 118719721 | 115638 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 516 | 12 | 1 | 6 | 5.0 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2014.11.016 | ||
| CHEMBL3353742 | 115638 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 516 | 12 | 1 | 6 | 5.0 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2014.11.016 | ||
| 118719721 | 115638 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 516 | 12 | 1 | 6 | 5.0 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2015.09.010 | ||
| CHEMBL3353742 | 115638 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 516 | 12 | 1 | 6 | 5.0 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2015.09.010 | ||
| 118719721 | 115638 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 516 | 12 | 1 | 6 | 5.0 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2015.10.011 | ||
| CHEMBL3353742 | 115638 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 516 | 12 | 1 | 6 | 5.0 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2015.10.011 | ||
| 57400636 | 69990 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 294 | 6 | 1 | 2 | 3.8 | CC#CC(CC(=O)O)c1ccc(OCc2ccccc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| CHEMBL1939646 | 69990 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 294 | 6 | 1 | 2 | 3.8 | CC#CC(CC(=O)O)c1ccc(OCc2ccccc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| 90151177 | 159708 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 491 | 7 | 1 | 6 | 5.0 | COc1cccc(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4104738 | 159708 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 491 | 7 | 1 | 6 | 5.0 | COc1cccc(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| 57390187 | 69991 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 308 | 7 | 1 | 2 | 3.9 | CC#CC(CC(=O)O)c1ccc(OCCc2ccccc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| CHEMBL1939647 | 69991 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 308 | 7 | 1 | 2 | 3.9 | CC#CC(CC(=O)O)c1ccc(OCCc2ccccc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| 137640032 | 156906 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 323 | 5 | 1 | 2 | 4.4 | Cc1ccccc1Cc1ccc(N2[C@@H](C)CC[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4072491 | 156906 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 323 | 5 | 1 | 2 | 4.4 | Cc1ccccc1Cc1ccc(N2[C@@H](C)CC[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 90151279 | 158216 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 495 | 6 | 1 | 5 | 5.6 | C[C@@H]1C(C(F)(F)F)=NN(c2ccc(OC3CCN(c4ccc(Cl)cc4)CC3)cc2)[C@H]1CC(=O)O | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4088375 | 158216 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 495 | 6 | 1 | 5 | 5.6 | C[C@@H]1C(C(F)(F)F)=NN(c2ccc(OC3CCN(c4ccc(Cl)cc4)CC3)cc2)[C@H]1CC(=O)O | 10.1021/acs.jmedchem.7b00982 | ||
| 118688890 | 190220 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)[C@H](CC(=O)O)CO3)c1 | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL5175124 | 190220 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)[C@H](CC(=O)O)CO3)c1 | 10.1016/j.bmc.2022.116615 | ||
| 131986297 | 164181 | 0 | None | 1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 498 | 7 | 1 | 5 | 7.0 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(Cl)c3scc(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4210878 | 164181 | 0 | None | 1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 498 | 7 | 1 | 5 | 7.0 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(Cl)c3scc(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 46231840 | 200511 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 402 | 4 | 1 | 5 | 4.7 | O=C1NC(=O)C(Cc2ccc(Oc3ncc(Cl)cc3Cl)cc2Cl)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL598917 | 200511 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 402 | 4 | 1 | 5 | 4.7 | O=C1NC(=O)C(Cc2ccc(Oc3ncc(Cl)cc3Cl)cc2Cl)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 118737972 | 119105 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 370 | 9 | 1 | 4 | 4.7 | CCOc1cccc2c1CC[C@H]2Oc1ccc([C@H](CC(=O)O)OCC)cc1 | 10.1021/ml500391n | ||
| CHEMBL3427710 | 119105 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 370 | 9 | 1 | 4 | 4.7 | CCOc1cccc2c1CC[C@H]2Oc1ccc([C@H](CC(=O)O)OCC)cc1 | 10.1021/ml500391n | ||
| 118737972 | 119105 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 370 | 9 | 1 | 4 | 4.7 | CCOc1cccc2c1CC[C@H]2Oc1ccc([C@H](CC(=O)O)OCC)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3427710 | 119105 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 370 | 9 | 1 | 4 | 4.7 | CCOc1cccc2c1CC[C@H]2Oc1ccc([C@H](CC(=O)O)OCC)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 58172969 | 122654 | 3 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 345 | 9 | 1 | 5 | 3.7 | CCOC(CC(=O)O)c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604046 | 122654 | 3 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 345 | 9 | 1 | 5 | 3.7 | CCOC(CC(=O)O)c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 23136363 | 58803 | 0 | None | 14 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 348 | 8 | 1 | 3 | 5.1 | O=C(O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1 | 10.1021/jm300215x | ||
| CHEMBL1688458 | 58803 | 0 | None | 14 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 348 | 8 | 1 | 3 | 5.1 | O=C(O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1 | 10.1021/jm300215x | ||
| 145973478 | 164568 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 454 | 9 | 1 | 5 | 4.8 | CCOc1cc(C)c(-c2cccc(COc3ccc(S(=O)(=O)CC(=O)O)cc3)c2)c(C)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4215675 | 164568 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 454 | 9 | 1 | 5 | 4.8 | CCOc1cc(C)c(-c2cccc(COc3ccc(S(=O)(=O)CC(=O)O)cc3)c2)c(C)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| 71612895 | 89903 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 398 | 3 | 1 | 4 | 4.3 | O=C(O)C[C@@H]1COc2cc3c(cc21)OCC(c1cc(F)cc(C(F)(F)F)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2380322 | 89903 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 398 | 3 | 1 | 4 | 4.3 | O=C(O)C[C@@H]1COc2cc3c(cc21)OCC(c1cc(F)cc(C(F)(F)F)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| 75204487 | 158943 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 496 | 8 | 1 | 5 | 5.0 | COc1ccc(F)c(N2CC[C@@H](COc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)C2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4096102 | 158943 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 496 | 8 | 1 | 5 | 5.0 | COc1ccc(F)c(N2CC[C@@H](COc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)C2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| 134144929 | 150425 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 418 | 5 | 2 | 4 | 6.2 | O=C(O)CCc1ccc2oc(Nc3c(Cl)c(Cl)cc(Cl)c3Cl)nc2c1 | 10.1016/j.bmcl.2016.10.074 | ||
| CHEMBL3954105 | 150425 | 0 | None | - | 1 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 418 | 5 | 2 | 4 | 6.2 | O=C(O)CCc1ccc2oc(Nc3c(Cl)c(Cl)cc(Cl)c3Cl)nc2c1 | 10.1016/j.bmcl.2016.10.074 | ||
| 57521809 | 76235 | 0 | None | -13 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1ccc(-c2ccccc2COc2ccc(CCC(=O)O)cc2)cc1 | 10.1021/jm300215x | ||
| CHEMBL2058520 | 76235 | 0 | None | -13 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1ccc(-c2ccccc2COc2ccc(CCC(=O)O)cc2)cc1 | 10.1021/jm300215x | ||
| CHEMBL4210970 | 76235 | 0 | None | -13 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1ccc(-c2ccccc2COc2ccc(CCC(=O)O)cc2)cc1 | 10.1021/jm300215x | ||
| 57521914 | 76242 | 0 | None | 6 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 416 | 8 | 1 | 3 | 5.8 | O=C(O)CCc1ccc(OCc2ccccc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1021/jm300215x | ||
| CHEMBL2058527 | 76242 | 0 | None | 6 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 416 | 8 | 1 | 3 | 5.8 | O=C(O)CCc1ccc(OCc2ccccc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1021/jm300215x | ||
| 73777153 | 142798 | 0 | None | -81 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 355 | 3 | 1 | 2 | 5.2 | O=C(O)CC1CCC2(CC1)CCN(c1cc(Cl)cc(Cl)c1)CC2 | 10.1021/acsmedchemlett.6b00360 | ||
| CHEMBL3893026 | 142798 | 0 | None | -81 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 355 | 3 | 1 | 2 | 5.2 | O=C(O)CC1CCC2(CC1)CCN(c1cc(Cl)cc(Cl)c1)CC2 | 10.1021/acsmedchemlett.6b00360 | ||
| 54582148 | 61767 | 4 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 256 | 6 | 1 | 2 | 3.3 | O=C(O)CCc1ccc(COc2ccccc2)cc1 | 10.1021/ml100106c | ||
| CHEMBL1773246 | 61767 | 4 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 256 | 6 | 1 | 2 | 3.3 | O=C(O)CCc1ccc(COc2ccccc2)cc1 | 10.1021/ml100106c | ||
| 134138318 | 147995 | 0 | None | -23 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 378 | 9 | 1 | 4 | 5.4 | COc1cccc(Oc2cccc(-c3ccc(OCCCC(=O)O)cc3)c2)c1 | 10.1016/j.bmcl.2016.10.054 | ||
| CHEMBL3934450 | 147995 | 0 | None | -23 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 378 | 9 | 1 | 4 | 5.4 | COc1cccc(Oc2cccc(-c3ccc(OCCCC(=O)O)cc3)c2)c1 | 10.1016/j.bmcl.2016.10.054 | ||
| 57393691 | 69989 | 1 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 324 | 7 | 1 | 3 | 3.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| CHEMBL1939645 | 69989 | 1 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 324 | 7 | 1 | 3 | 3.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| 118144976 | 171230 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 446 | 8 | 1 | 3 | 6.5 | COc1ccc(F)c(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@@H](CC(=O)O)C3CC3)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4460109 | 171230 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 446 | 8 | 1 | 3 | 6.5 | COc1ccc(F)c(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@@H](CC(=O)O)C3CC3)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 162652399 | 180204 | 0 | None | -3 | 2 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 515 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4749949 | 180204 | 0 | None | -3 | 2 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 515 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| 1050 | 1889 | 94 | None | -1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 11595431 | 1889 | 94 | None | -1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL207881 | 1889 | 94 | None | -1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 127034369 | 138731 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 399 | 6 | 1 | 5 | 4.8 | Cc1nc(-c2cccc(F)c2)sc1COc1ccc2c(c1)OCC2CC(=O)O | 10.1016/j.ejmech.2016.02.040 | ||
| CHEMBL3780456 | 138731 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 399 | 6 | 1 | 5 | 4.8 | Cc1nc(-c2cccc(F)c2)sc1COc1ccc2c(c1)OCC2CC(=O)O | 10.1016/j.ejmech.2016.02.040 | ||
| 137646308 | 157847 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 295 | 4 | 1 | 3 | 3.2 | N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)s1 | 10.1021/acs.jmedchem.6b01357 | ||
| CHEMBL4083913 | 157847 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 295 | 4 | 1 | 3 | 3.2 | N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)s1 | 10.1021/acs.jmedchem.6b01357 | ||
| 145992631 | 166841 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 392 | 8 | 1 | 5 | 4.1 | CCOC(CC(=O)O)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4285740 | 166841 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 392 | 8 | 1 | 5 | 4.1 | CCOC(CC(=O)O)c1ccc(OCC2COc3ccc(Cl)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 137635388 | 155800 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 407 | 6 | 1 | 3 | 5.8 | O=C(O)CC1CCCCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4059947 | 155800 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 407 | 6 | 1 | 3 | 5.8 | O=C(O)CC1CCCCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 145957539 | 162217 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 482 | 7 | 1 | 3 | 7.3 | O=C(O)C[C@H](c1ccc2c(c1)OC(c1ccc(-c3cccc(OC(F)(F)F)c3)cc1)CC2)C1CC1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4163496 | 162217 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 482 | 7 | 1 | 3 | 7.3 | O=C(O)C[C@H](c1ccc2c(c1)OC(c1ccc(-c3cccc(OC(F)(F)F)c3)cc1)CC2)C1CC1 | 10.1021/acsmedchemlett.8b00149 | ||
| 46231386 | 199209 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 349 | 4 | 1 | 3 | 4.0 | O=C1CC(Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2)C(=O)N1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL589992 | 199209 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 349 | 4 | 1 | 3 | 4.0 | O=C1CC(Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2)C(=O)N1 | 10.1016/j.bmcl.2009.10.052 | ||
| 8852666 | 192658 | 26 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 389 | 5 | 2 | 8 | 3.5 | Cc1ccccc1Nc1nc(N)nc(COc2ccc3c(C)cc(=O)oc3c2)n1 | 10.1016/j.ejmech.2022.114645 | ||
| CHEMBL5219102 | 192658 | 26 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 389 | 5 | 2 | 8 | 3.5 | Cc1ccccc1Nc1nc(N)nc(COc2ccc3c(C)cc(=O)oc3c2)n1 | 10.1016/j.ejmech.2022.114645 | ||
| 57522038 | 3856 | 60 | None | -1995 | 3 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 364 | 7 | 1 | 2 | 5.4 | OC(=O)CCc1ccc(cc1)OCc1cc(F)ccc1c1ccc(cc1)C | 10.1021/jm300215x | ||
| 6490 | 3856 | 60 | None | -1995 | 3 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 364 | 7 | 1 | 2 | 5.4 | OC(=O)CCc1ccc(cc1)OCc1cc(F)ccc1c1ccc(cc1)C | 10.1021/jm300215x | ||
| CHEMBL2058533 | 3856 | 60 | None | -1995 | 3 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 364 | 7 | 1 | 2 | 5.4 | OC(=O)CCc1ccc(cc1)OCc1cc(F)ccc1c1ccc(cc1)C | 10.1021/jm300215x | ||
| 137658671 | 159424 | 0 | None | -7 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 282 | 2 | 2 | 0 | 4.5 | Fc1cccc2[nH]cc(Cc3c[nH]c4cccc(F)c34)c12 | 10.1021/acs.jmedchem.6b01593 | ||
| CHEMBL4101219 | 159424 | 0 | None | -7 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 282 | 2 | 2 | 0 | 4.5 | Fc1cccc2[nH]cc(Cc3c[nH]c4cccc(F)c34)c12 | 10.1021/acs.jmedchem.6b01593 | ||
| 122185443 | 122661 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 382 | 9 | 1 | 3 | 5.2 | CCOC(CC(=O)O)c1ccc(OCCc2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604053 | 122661 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 382 | 9 | 1 | 3 | 5.2 | CCOC(CC(=O)O)c1ccc(OCCc2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 90644289 | 111929 | 0 | None | 8 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 367 | 7 | 1 | 4 | 5.0 | Cc1cccc(C)c1-c1cccc(COc2ncc(CCC(=O)O)s2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288347 | 111929 | 0 | None | 8 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 367 | 7 | 1 | 4 | 5.0 | Cc1cccc(C)c1-c1cccc(COc2ncc(CCC(=O)O)s2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 90644297 | 111937 | 0 | None | 32 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 375 | 7 | 1 | 3 | 5.2 | Cc1cccc(C)c1-c1cccc(COc2ccc(CC(C)C(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288355 | 111937 | 0 | None | 32 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 375 | 7 | 1 | 3 | 5.2 | Cc1cccc(C)c1-c1cccc(COc2ccc(CC(C)C(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 162676686 | 183462 | 0 | None | -11 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 523 | 8 | 1 | 5 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4799453 | 183462 | 0 | None | -11 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 523 | 8 | 1 | 5 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 71615666 | 89971 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 388 | 4 | 1 | 4 | 4.8 | O=C(O)C[C@@H]1COc2cc3c(cc21)OCC(c1cccc(-c2ccccc2)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381311 | 89971 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 388 | 4 | 1 | 4 | 4.8 | O=C(O)C[C@@H]1COc2cc3c(cc21)OCC(c1cccc(-c2ccccc2)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| 122193736 | 123943 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 424 | 9 | 1 | 4 | 5.6 | CCOc1cc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1016/j.bmc.2015.10.011 | ||
| CHEMBL3628756 | 123943 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 424 | 9 | 1 | 4 | 5.6 | CCOc1cc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1016/j.bmc.2015.10.011 | ||
| 71449361 | 80631 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 400 | 8 | 1 | 3 | 5.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(-c3cccc(OC)c3)cc2)cc1 | 10.1021/ml300133f | ||
| CHEMBL2151288 | 80631 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 400 | 8 | 1 | 3 | 5.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(-c3cccc(OC)c3)cc2)cc1 | 10.1021/ml300133f | ||
| 168282466 | 191233 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 543 | 12 | 1 | 6 | 5.4 | Cn1nc(COCc2ccccc2F)c2c1CCN(Cc1ccc(COc3ccc(CCC(=O)O)cc3)cc1)C2 | 10.1016/j.bmcl.2021.127969 | ||
| CHEMBL5190303 | 191233 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 543 | 12 | 1 | 6 | 5.4 | Cn1nc(COCc2ccccc2F)c2c1CCN(Cc1ccc(COc3ccc(CCC(=O)O)cc3)cc1)C2 | 10.1016/j.bmcl.2021.127969 | ||
| 155529599 | 171432 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4cccc(OC)c4)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| CHEMBL4463298 | 171432 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 458 | 8 | 1 | 5 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4cccc(OC)c4)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| 137646337 | 157904 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 353 | 5 | 1 | 3 | 5.2 | CC(C)(C)c1ccccc1Oc1ccc(N2CCC[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4084441 | 157904 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 353 | 5 | 1 | 3 | 5.2 | CC(C)(C)c1ccccc1Oc1ccc(N2CCC[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 44319268 | 107144 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 313 | 5 | 1 | 4 | 3.2 | O=C1NC(=O)C(Cc2ccc(OCc3ccccc3)cc2)S1 | 10.1016/j.ejmech.2015.12.049 | ||
| CHEMBL316370 | 107144 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 313 | 5 | 1 | 4 | 3.2 | O=C1NC(=O)C(Cc2ccc(OCc3ccccc3)cc2)S1 | 10.1016/j.ejmech.2015.12.049 | ||
| 118638016 | 167628 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4163182 | 167628 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4301725 | 167628 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)cc2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 145967091 | 164093 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 410 | 7 | 1 | 4 | 4.4 | Cc1cccc(C)c1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4209845 | 164093 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 410 | 7 | 1 | 4 | 4.4 | Cc1cccc(C)c1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| 44409844 | 74460 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 459 | 6 | 1 | 4 | 5.9 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(=O)N(C)C)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL202835 | 74460 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 459 | 6 | 1 | 4 | 5.9 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(=O)N(C)C)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 71613315 | 89969 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 422 | 4 | 1 | 4 | 5.5 | O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1cccc(-c2ccccc2Cl)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381309 | 89969 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 422 | 4 | 1 | 4 | 5.5 | O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1cccc(-c2ccccc2Cl)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| 54757518 | 65302 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 283 | 3 | 1 | 2 | 2.9 | Cc1cnc(F)c(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm2005699 | ||
| CHEMBL1829150 | 65302 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 283 | 3 | 1 | 2 | 2.9 | Cc1cnc(F)c(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm2005699 | ||
| 1622278 | 94975 | 10 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 341 | 7 | 1 | 5 | 3.6 | O=C(O)CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S | 10.1021/jm7012425 | ||
| CHEMBL254861 | 94975 | 10 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 341 | 7 | 1 | 5 | 3.6 | O=C(O)CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S | 10.1021/jm7012425 | ||
| 127051659 | 140190 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 401 | 8 | 2 | 6 | 3.5 | O=C(O)CCc1ccc(OCc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 | 10.1016/j.bmc.2016.04.065 | ||
| CHEMBL3805086 | 140190 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 401 | 8 | 2 | 6 | 3.5 | O=C(O)CCc1ccc(OCc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 | 10.1016/j.bmc.2016.04.065 | ||
| 155565451 | 175571 | 11 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 449 | 6 | 1 | 5 | 5.7 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(c1)OC[C@H]2CC(=O)O | 10.1016/j.bmcl.2021.127969 | ||
| CHEMBL4579901 | 175571 | 11 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 449 | 6 | 1 | 5 | 5.7 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(c1)OC[C@H]2CC(=O)O | 10.1016/j.bmcl.2021.127969 | ||
| 131986082 | 164130 | 0 | None | -2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 454 | 7 | 1 | 7 | 4.7 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccnn4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4210243 | 164130 | 0 | None | -2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 454 | 7 | 1 | 7 | 4.7 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccnn4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 58218608 | 156660 | 0 | None | 10 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 377 | 5 | 1 | 2 | 4.8 | Cc1ccccc1Cc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4069764 | 156660 | 0 | None | 10 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 377 | 5 | 1 | 2 | 4.8 | Cc1ccccc1Cc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 71613092 | 89956 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 570 | 9 | 1 | 7 | 5.4 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1ccc(F)c([C@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381296 | 89956 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 570 | 9 | 1 | 7 | 5.4 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1ccc(F)c([C@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| 44409690 | 75544 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 420 | 7 | 2 | 4 | 5.8 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(CCC(=O)O)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL204630 | 75544 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 420 | 7 | 2 | 4 | 5.8 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(CCC(=O)O)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 168272362 | 190626 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 422 | 10 | 1 | 4 | 5.3 | O=C(O)COc1ccc(OCc2cccc(-c3cccc(OCC4CC4)c3)c2)cc1F | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL5181439 | 190626 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 422 | 10 | 1 | 4 | 5.3 | O=C(O)COc1ccc(OCc2cccc(-c3cccc(OCC4CC4)c3)c2)cc1F | 10.1016/j.bmc.2022.116615 | ||
| 162657311 | 180830 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 427 | 9 | 1 | 4 | 5.1 | COc1ccc(F)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4757231 | 180830 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 427 | 9 | 1 | 4 | 5.1 | COc1ccc(F)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 57393690 | 69988 | 1 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 324 | 7 | 1 | 3 | 3.9 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| CHEMBL1939644 | 69988 | 1 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 324 | 7 | 1 | 3 | 3.9 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| 134136175 | 142655 | 0 | None | -51 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 388 | 7 | 1 | 3 | 5.5 | Cc1cc(-c2cc(OC(F)(F)F)ccc2Cl)ccc1OCCCC(=O)O | 10.1016/j.bmcl.2016.10.054 | ||
| CHEMBL3892019 | 142655 | 0 | None | -51 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 388 | 7 | 1 | 3 | 5.5 | Cc1cc(-c2cc(OC(F)(F)F)ccc2Cl)ccc1OCCCC(=O)O | 10.1016/j.bmcl.2016.10.054 | ||
| 131986090 | 164268 | 0 | None | -5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 542 | 8 | 1 | 7 | 5.7 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(S(C)(=O)=O)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4212041 | 164268 | 0 | None | -5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 542 | 8 | 1 | 7 | 5.7 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3sc(S(C)(=O)=O)c(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 23136411 | 58802 | 0 | None | 11 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 332 | 7 | 1 | 2 | 5.0 | O=C(O)CCc1ccc(OCc2cccc(-c3ccccc3)c2)cc1 | 10.1021/jm300215x | ||
| CHEMBL1688457 | 58802 | 0 | None | 11 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 332 | 7 | 1 | 2 | 5.0 | O=C(O)CCc1ccc(OCc2cccc(-c3ccccc3)c2)cc1 | 10.1021/jm300215x | ||
| 5849 | 66 | 44 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 216 | 10 | 2 | 2 | 3.0 | CCCCCCCCCCC(C(=O)O)O | 10.1039/C7MD00130D | ||
| 97783 | 66 | 44 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 216 | 10 | 2 | 2 | 3.0 | CCCCCCCCCCC(C(=O)O)O | 10.1039/C7MD00130D | ||
| CHEMBL4278254 | 66 | 44 | None | 1 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 216 | 10 | 2 | 2 | 3.0 | CCCCCCCCCCC(C(=O)O)O | 10.1039/C7MD00130D | ||
| 134134149 | 143350 | 0 | None | -100 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 348 | 8 | 1 | 3 | 5.4 | O=C(O)CCCOc1ccc(-c2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2016.10.054 | ||
| CHEMBL3897776 | 143350 | 0 | None | -100 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 348 | 8 | 1 | 3 | 5.4 | O=C(O)CCCOc1ccc(-c2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2016.10.054 | ||
| 162644059 | 181800 | 0 | None | 45 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 440 | 8 | 1 | 7 | 4.6 | O=C(O)C[C@@H](c1ccc(OCc2ccc3nc(-c4ccccc4)nn3c2)cc1)c1ccon1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4778264 | 181800 | 0 | None | 45 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 440 | 8 | 1 | 7 | 4.6 | O=C(O)C[C@@H](c1ccc(OCc2ccc3nc(-c4ccccc4)nn3c2)cc1)c1ccon1 | 10.1021/acs.jmedchem.6b00892 | ||
| 127033239 | 138714 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 387 | 6 | 1 | 6 | 4.7 | Cc1nc(-c2ccsc2)sc1COc1ccc2c(c1)OCC2CC(=O)O | 10.1016/j.ejmech.2016.02.040 | ||
| CHEMBL3780232 | 138714 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 387 | 6 | 1 | 6 | 4.7 | Cc1nc(-c2ccsc2)sc1COc1ccc2c(c1)OCC2CC(=O)O | 10.1016/j.ejmech.2016.02.040 | ||
| 75511301 | 122437 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 342 | 7 | 1 | 5 | 3.5 | O=C(O)CCc1ccc(OCc2nc(-c3ccc(F)cc3)no2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3601005 | 122437 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 342 | 7 | 1 | 5 | 3.5 | O=C(O)CCc1ccc(OCc2nc(-c3ccc(F)cc3)no2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| 57705531 | 80638 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 464 | 9 | 1 | 3 | 7.3 | CC[C@H](CC(=O)O)c1cccc(OCc2ccc(-c3cc(OC)ccc3F)c(C(C)(C)C)c2)c1 | 10.1021/ml300133f | ||
| CHEMBL2151295 | 80638 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 464 | 9 | 1 | 3 | 7.3 | CC[C@H](CC(=O)O)c1cccc(OCc2ccc(-c3cc(OC)ccc3F)c(C(C)(C)C)c2)c1 | 10.1021/ml300133f | ||
| 137640919 | 157048 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 331 | 5 | 1 | 3 | 4.6 | O=C(O)C[C@@H]1CCCN1c1ccc(Oc2cccc(Cl)c2)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4074138 | 157048 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 331 | 5 | 1 | 3 | 4.6 | O=C(O)C[C@@H]1CCCN1c1ccc(Oc2cccc(Cl)c2)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 137659517 | 159235 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 500 | 6 | 1 | 6 | 5.1 | Cc1ccc(C#N)c(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4099189 | 159235 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 500 | 6 | 1 | 6 | 5.1 | Cc1ccc(C#N)c(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| 168294722 | 192446 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 427 | 7 | 1 | 5 | 5.3 | O=C(O)COc1ccc(COc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1F | 10.1016/j.ejmech.2021.114061 | ||
| CHEMBL5208754 | 192446 | 0 | None | - | 1 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 427 | 7 | 1 | 5 | 5.3 | O=C(O)COc1ccc(COc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1F | 10.1016/j.ejmech.2021.114061 | ||
| 1050 | 1889 | 94 | None | -1 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/jm0614782 | ||
| 11595431 | 1889 | 94 | None | -1 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/jm0614782 | ||
| CHEMBL207881 | 1889 | 94 | None | -1 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/jm0614782 | ||
| 164616580 | 185303 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 297 | 4 | 2 | 1 | 4.3 | Cc1cc(F)ccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1 | 10.1021/acs.jmedchem.1c00031 | ||
| CHEMBL4859651 | 185303 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 297 | 4 | 2 | 1 | 4.3 | Cc1cc(F)ccc1-c1cc2cc(CCC(=O)O)ccc2[nH]1 | 10.1021/acs.jmedchem.1c00031 | ||
| 54584570 | 62119 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 344 | 5 | 1 | 2 | 5.2 | O=C(O)CCc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777857 | 62119 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 344 | 5 | 1 | 2 | 5.2 | O=C(O)CCc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 145983493 | 165480 | 0 | None | -371 | 2 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 442 | 10 | 1 | 4 | 5.1 | CO[C@H]1C[C@H](Oc2cc(F)c(F)c(-c3cc(F)c(OCCCCC(=O)O)c(F)c3)c2)C1 | 10.1016/j.bmcl.2018.06.047 | ||
| CHEMBL4240607 | 165480 | 0 | None | -371 | 2 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 442 | 10 | 1 | 4 | 5.1 | CO[C@H]1C[C@H](Oc2cc(F)c(F)c(-c3cc(F)c(OCCCCC(=O)O)c(F)c3)c2)C1 | 10.1016/j.bmcl.2018.06.047 | ||
| 46231717 | 200924 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 382 | 4 | 1 | 5 | 4.1 | Cc1cc(Oc2ccc(CC3SC(=O)NC3=O)cc2)nc(C(F)(F)F)c1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL601848 | 200924 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 382 | 4 | 1 | 5 | 4.1 | Cc1cc(Oc2ccc(CC3SC(=O)NC3=O)cc2)nc(C(F)(F)F)c1 | 10.1016/j.bmcl.2009.10.052 | ||
| 46231718 | 201656 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 402 | 4 | 1 | 5 | 4.4 | O=C1NC(=O)C(Cc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL606206 | 201656 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 402 | 4 | 1 | 5 | 4.4 | O=C1NC(=O)C(Cc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 118737971 | 119101 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 326 | 7 | 1 | 3 | 4.3 | CCO[C@@H](CC(=O)O)c1ccc(O[C@H]2CCc3ccccc32)cc1 | 10.1021/ml500391n | ||
| CHEMBL3427706 | 119101 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 326 | 7 | 1 | 3 | 4.3 | CCO[C@@H](CC(=O)O)c1ccc(O[C@H]2CCc3ccccc32)cc1 | 10.1021/ml500391n | ||
| 118737971 | 119101 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 326 | 7 | 1 | 3 | 4.3 | CCO[C@@H](CC(=O)O)c1ccc(O[C@H]2CCc3ccccc32)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3427706 | 119101 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 326 | 7 | 1 | 3 | 4.3 | CCO[C@@H](CC(=O)O)c1ccc(O[C@H]2CCc3ccccc32)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 57325674 | 74023 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 372 | 6 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022249 | 74023 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 372 | 6 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| 127047530 | 139563 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 413 | 9 | 1 | 5 | 5.1 | CCOc1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(-c2c(C)noc2C)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3797383 | 139563 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 413 | 9 | 1 | 5 | 5.1 | CCOc1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(-c2c(C)noc2C)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| 145966647 | 164165 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 468 | 10 | 1 | 5 | 5.2 | CCCOc1cc(C)c(-c2cccc(COc3ccc(S(=O)(=O)CC(=O)O)cc3)c2)c(C)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4210719 | 164165 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 468 | 10 | 1 | 5 | 5.2 | CCCOc1cc(C)c(-c2cccc(COc3ccc(S(=O)(=O)CC(=O)O)cc3)c2)c(C)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| 54582145 | 61763 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 361 | 8 | 2 | 3 | 5.0 | COc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/ml100106c | ||
| CHEMBL1773167 | 61763 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 361 | 8 | 2 | 3 | 5.0 | COc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/ml100106c | ||
| 122193736 | 123943 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 424 | 9 | 1 | 4 | 5.6 | CCOc1cc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL3628756 | 123943 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 424 | 9 | 1 | 4 | 5.6 | CCOc1cc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| 155558174 | 174742 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 381 | 7 | 3 | 4 | 4.6 | Cc1cc(O)ccc1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL4561122 | 174742 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 381 | 7 | 3 | 4 | 4.6 | Cc1cc(O)ccc1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| 57706031 | 80639 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 478 | 10 | 1 | 3 | 7.7 | CCC[C@H](CC(=O)O)c1cccc(OCc2ccc(-c3cc(OC)ccc3F)c(C(C)(C)C)c2)c1 | 10.1021/ml300133f | ||
| CHEMBL2151296 | 80639 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 478 | 10 | 1 | 3 | 7.7 | CCC[C@H](CC(=O)O)c1cccc(OCc2ccc(-c3cc(OC)ccc3F)c(C(C)(C)C)c2)c1 | 10.1021/ml300133f | ||
| 145992604 | 166809 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 362 | 4 | 1 | 2 | 5.0 | O=C(O)C#Cc1ccc(OCc2cccc(-c3ccccc3Cl)c2)cc1 | 10.1016/j.ejmech.2018.08.075 | ||
| CHEMBL4285071 | 166809 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 362 | 4 | 1 | 2 | 5.0 | O=C(O)C#Cc1ccc(OCc2cccc(-c3ccccc3Cl)c2)cc1 | 10.1016/j.ejmech.2018.08.075 | ||
| 58218740 | 156421 | 0 | None | -45 | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 315 | 5 | 1 | 3 | 4.1 | O=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2F)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4067052 | 156421 | 0 | None | -45 | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 315 | 5 | 1 | 3 | 4.1 | O=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2F)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 137529983 | 163853 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 516 | 8 | 2 | 5 | 6.2 | Cc1cc(OCC2CCOC2)cc(C)c1-c1ccc(F)c2c1CC[C@H]2Nc1ccc([C@H]2C[C@@H]2C(=O)O)nc1 | 10.1021/acsmedchemlett.8b00343 | ||
| CHEMBL4206879 | 163853 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 516 | 8 | 2 | 5 | 6.2 | Cc1cc(OCC2CCOC2)cc(C)c1-c1ccc(F)c2c1CC[C@H]2Nc1ccc([C@H]2C[C@@H]2C(=O)O)nc1 | 10.1021/acsmedchemlett.8b00343 | ||
| 131986294 | 163817 | 0 | None | 1 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 464 | 7 | 1 | 5 | 6.3 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4206445 | 163817 | 0 | None | 1 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 464 | 7 | 1 | 5 | 6.3 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 118623088 | 142102 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 446 | 7 | 1 | 3 | 6.5 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL3883407 | 142102 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 446 | 7 | 1 | 3 | 6.5 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.8b00149 | ||
| 10292451 | 122656 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 368 | 8 | 1 | 3 | 4.8 | CCOC(CC(=O)O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604048 | 122656 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 368 | 8 | 1 | 3 | 4.8 | CCOC(CC(=O)O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 134131511 | 142133 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 546 | 9 | 1 | 4 | 8.3 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2[C@H](OC)C(C)(C)C)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883627 | 142133 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 546 | 9 | 1 | 4 | 8.3 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2[C@H](OC)C(C)(C)C)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 162664735 | 182062 | 0 | None | -7 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 521 | 9 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(OC)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4781604 | 182062 | 0 | None | -7 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 521 | 9 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(OC)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 122185448 | 122666 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 386 | 8 | 1 | 3 | 5.0 | CCO[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(F)(F)F)c(F)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604058 | 122666 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 386 | 8 | 1 | 3 | 5.0 | CCO[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(F)(F)F)c(F)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 118645541 | 180619 | 0 | None | 4 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 526 | 10 | 1 | 5 | 7.1 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2-c2cc(C)cc(C)c2)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4754974 | 180619 | 0 | None | 4 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 526 | 10 | 1 | 5 | 7.1 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2-c2cc(C)cc(C)c2)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| 11961321 | 111772 | 4 | None | -4 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 460 | 8 | 1 | 4 | 6.2 | Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1021/ml400501x | ||
| CHEMBL3287569 | 111772 | 4 | None | -4 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 460 | 8 | 1 | 4 | 6.2 | Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1021/ml400501x | ||
| 51350138 | 58819 | 0 | None | 660 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2012968 | ||
| CHEMBL1688473 | 58819 | 0 | None | 660 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2012968 | ||
| 134131511 | 142133 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 546 | 9 | 1 | 4 | 8.3 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2[C@H](OC)C(C)(C)C)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883627 | 142133 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 546 | 9 | 1 | 4 | 8.3 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2[C@H](OC)C(C)(C)C)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 145987484 | 165186 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 413 | 6 | 1 | 5 | 5.1 | Cc1noc(C)c1-c1cc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)ccc1Cl | 10.1016/j.bmc.2017.12.030 | ||
| CHEMBL4228985 | 165186 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 413 | 6 | 1 | 5 | 5.1 | Cc1noc(C)c1-c1cc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)ccc1Cl | 10.1016/j.bmc.2017.12.030 | ||
| 155527805 | 171247 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 496 | 7 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4ccc(Cl)cc4Cl)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| CHEMBL4460425 | 171247 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 496 | 7 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4ccc(Cl)cc4Cl)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| 137635907 | 155924 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 527 | 7 | 1 | 6 | 5.0 | COc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](F)C2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4061175 | 155924 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 527 | 7 | 1 | 6 | 5.0 | COc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](F)C2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| 76900387 | 157521 | 6 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 540 | 7 | 1 | 7 | 5.3 | COc1cc(N2CC[C@@H](Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4080226 | 157521 | 6 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 540 | 7 | 1 | 7 | 5.3 | COc1cc(N2CC[C@@H](Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1 | 10.1021/acs.jmedchem.7b00982 | ||
| 9957245 | 178961 | 14 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 490 | 22 | 3 | 5 | 9.0 | CCCCCCCCCCCC(=O)c1c(O)cc(O)c(C(=O)CCCCCCCCCCC)c1O | 10.1016/j.bmcl.2008.10.085 | ||
| CHEMBL470757 | 178961 | 14 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 490 | 22 | 3 | 5 | 9.0 | CCCCCCCCCCCC(=O)c1c(O)cc(O)c(C(=O)CCCCCCCCCCC)c1O | 10.1016/j.bmcl.2008.10.085 | ||
| 11327107 | 74022 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 402 | 5 | 1 | 3 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)OCCC(C(=O)O)C3)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022248 | 74022 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 402 | 5 | 1 | 3 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)OCCC(C(=O)O)C3)c1 | 10.1021/jm2012968 | ||
| 162646017 | 179448 | 0 | None | -5 | 2 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 516 | 10 | 1 | 5 | 7.0 | COc1ccc(F)c(-c2cnc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4740846 | 179448 | 0 | None | -5 | 2 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 516 | 10 | 1 | 5 | 7.0 | COc1ccc(F)c(-c2cnc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| 58319134 | 86525 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 280 | 4 | 1 | 2 | 3.1 | COc1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm301470a | ||
| CHEMBL2315553 | 86525 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 280 | 4 | 1 | 2 | 3.1 | COc1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm301470a | ||
| 75511304 | 122428 | 3 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 323 | 7 | 1 | 4 | 3.9 | O=C(O)CCc1ccc(OCc2coc(-c3ccccc3)n2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| CHEMBL3600996 | 122428 | 3 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 323 | 7 | 1 | 4 | 3.9 | O=C(O)CCc1ccc(OCc2coc(-c3ccccc3)n2)cc1 | 10.1016/j.bmcl.2015.06.018 | ||
| 145990228 | 166882 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 436 | 7 | 1 | 5 | 4.4 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(OC(F)(F)F)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4286382 | 166882 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 436 | 7 | 1 | 5 | 4.4 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(OC(F)(F)F)cc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 54584571 | 62139 | 0 | None | -1 | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 455 | 6 | 1 | 5 | 4.8 | CC#C[C@H](c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)[C@H]1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777877 | 62139 | 0 | None | -1 | 2 | Mouse | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 455 | 6 | 1 | 5 | 4.8 | CC#C[C@H](c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)[C@H]1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| 54757517 | 65300 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 285 | 3 | 1 | 2 | 3.2 | O=C(O)CCc1ccc(C#Cc2ccc(Cl)nc2)cc1 | 10.1021/jm2005699 | ||
| CHEMBL1829149 | 65300 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 285 | 3 | 1 | 2 | 3.2 | O=C(O)CCc1ccc(C#Cc2ccc(Cl)nc2)cc1 | 10.1021/jm2005699 | ||
| 134153148 | 152695 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 519 | 7 | 1 | 6 | 5.5 | COc1ccc(C)c(N2CC[C@@H](Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1 | 10.1016/j.bmcl.2016.10.074 | ||
| CHEMBL3973075 | 152695 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 519 | 7 | 1 | 6 | 5.5 | COc1ccc(C)c(N2CC[C@@H](Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1 | 10.1016/j.bmcl.2016.10.074 | ||
| 53248846 | 62123 | 0 | None | -1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 414 | 7 | 1 | 3 | 5.7 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777861 | 62123 | 0 | None | -1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 414 | 7 | 1 | 3 | 5.7 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 90644287 | 111927 | 0 | None | 2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 361 | 7 | 1 | 3 | 5.0 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)nc2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288345 | 111927 | 0 | None | 2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 361 | 7 | 1 | 3 | 5.0 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)nc2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 131986300 | 163603 | 0 | None | -2 | 2 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 528 | 8 | 1 | 6 | 7.0 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(Cl)c3scc(-c4ccc(OC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4203837 | 163603 | 0 | None | -2 | 2 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 528 | 8 | 1 | 6 | 7.0 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2cc(Cl)c3scc(-c4ccc(OC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 57706778 | 80768 | 29 | None | -8 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300133f | ||
| CHEMBL2152070 | 80768 | 29 | None | -8 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300133f | ||
| 58218608 | 156660 | 0 | None | -10 | 2 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 377 | 5 | 1 | 2 | 4.8 | Cc1ccccc1Cc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4069764 | 156660 | 0 | None | -10 | 2 | Mouse | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 377 | 5 | 1 | 2 | 4.8 | Cc1ccccc1Cc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 145963330 | 162002 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 488 | 8 | 1 | 5 | 4.9 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccccc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4159848 | 162002 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 488 | 8 | 1 | 5 | 4.9 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccccc4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 118129981 | 159443 | 0 | None | -2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 513 | 11 | 2 | 7 | 5.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OCCC(C)(C)O)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4101472 | 159443 | 0 | None | -2 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 513 | 11 | 2 | 7 | 5.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OCCC(C)(C)O)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 68194159 | 183037 | 0 | None | -4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 512 | 8 | 1 | 5 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2sc(CN3CCC4(C=Cc5ccccc54)CC3)nc2C)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4794233 | 183037 | 0 | None | -4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 512 | 8 | 1 | 5 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2sc(CN3CCC4(C=Cc5ccccc54)CC3)nc2C)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 73354950 | 90349 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 418 | 9 | 1 | 4 | 3.2 | CS(=O)(=O)CCCOCc1ccccc1C#Cc1ccc(CCC(=O)O)c(F)c1 | 10.1021/ml4000673 | ||
| CHEMBL2386370 | 90349 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 418 | 9 | 1 | 4 | 3.2 | CS(=O)(=O)CCCOCc1ccccc1C#Cc1ccc(CCC(=O)O)c(F)c1 | 10.1021/ml4000673 | ||
| 46231548 | 200473 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 327 | 4 | 1 | 4 | 4.0 | Cc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc1C | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL598673 | 200473 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 327 | 4 | 1 | 4 | 4.0 | Cc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc1C | 10.1016/j.bmcl.2009.10.052 | ||
| 153272850 | 171870 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 376 | 7 | 2 | 4 | 4.4 | N#Cc1ccccc1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL4469691 | 171870 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 376 | 7 | 2 | 4 | 4.4 | N#Cc1ccccc1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| 58218651 | 158295 | 0 | None | 4 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 379 | 5 | 1 | 3 | 5.0 | Cc1ccccc1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4089171 | 158295 | 0 | None | 4 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 379 | 5 | 1 | 3 | 5.0 | Cc1ccccc1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 71612681 | 89978 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 406 | 4 | 1 | 4 | 5.0 | O=C(O)C[C@@H]1COc2cc3c(cc21)OCC(c1cccc(-c2ccccc2F)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381318 | 89978 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 406 | 4 | 1 | 4 | 5.0 | O=C(O)C[C@@H]1COc2cc3c(cc21)OCC(c1cccc(-c2ccccc2F)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| 127033818 | 138722 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 395 | 6 | 1 | 5 | 5.0 | Cc1ccc(-c2nc(C)c(COc3ccc4c(c3)OCC4CC(=O)O)s2)cc1 | 10.1016/j.ejmech.2016.02.040 | ||
| CHEMBL3780334 | 138722 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 395 | 6 | 1 | 5 | 5.0 | Cc1ccc(-c2nc(C)c(COc3ccc4c(c3)OCC4CC(=O)O)s2)cc1 | 10.1016/j.ejmech.2016.02.040 | ||
| 155551584 | 173975 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 448 | 8 | 1 | 4 | 6.0 | COc1ccc(F)c(-c2ccc3c(c2)OC[C@@H]3Oc2cccc([C@@H](CC(=O)O)C3CC3)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4542487 | 173975 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 448 | 8 | 1 | 4 | 6.0 | COc1ccc(F)c(-c2ccc3c(c2)OC[C@@H]3Oc2cccc([C@@H](CC(=O)O)C3CC3)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 121294455 | 181179 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 617 | 13 | 1 | 7 | 6.9 | CCOC(CC(=O)O)c1cccc(OCC2CCN(c3cc(OC)ccc3C(=O)N(CC(C)(C)C)c3cccc(C)n3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4761155 | 181179 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 617 | 13 | 1 | 7 | 6.9 | CCOC(CC(=O)O)c1cccc(OCC2CCN(c3cc(OC)ccc3C(=O)N(CC(C)(C)C)c3cccc(C)n3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 58218638 | 157412 | 0 | None | 75 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 311 | 5 | 1 | 3 | 4.2 | Cc1ccccc1Oc1ccc(N2CCC[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4078852 | 157412 | 0 | None | 75 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 311 | 5 | 1 | 3 | 4.2 | Cc1ccccc1Oc1ccc(N2CCC[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 58218694 | 158447 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 327 | 5 | 1 | 2 | 4.0 | Cc1ccccc1Cc1ccc(N2C[C@@H](F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4090766 | 158447 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 327 | 5 | 1 | 2 | 4.0 | Cc1ccccc1Cc1ccc(N2C[C@@H](F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 25150016 | 185399 | 1 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 278 | 3 | 1 | 1 | 3.7 | Cc1cc(C)cc(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm8010178 | ||
| CHEMBL486139 | 185399 | 1 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 278 | 3 | 1 | 1 | 3.7 | Cc1cc(C)cc(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm8010178 | ||
| 145971800 | 164475 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 424 | 8 | 1 | 4 | 4.9 | CC(C)c1ccccc1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4214530 | 164475 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 424 | 8 | 1 | 4 | 4.9 | CC(C)c1ccccc1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| 71655293 | 90332 | 0 | None | 52 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1cccc(C#Cc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/ml4000673 | ||
| CHEMBL2386354 | 90332 | 0 | None | 52 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1cccc(C#Cc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/ml4000673 | ||
| 71612682 | 89941 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 456 | 4 | 1 | 4 | 5.8 | O=C(O)C[C@@H]1COc2cc3c(cc21)OCC(c1cccc(-c2ccccc2C(F)(F)F)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381280 | 89941 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 456 | 4 | 1 | 4 | 5.8 | O=C(O)C[C@@H]1COc2cc3c(cc21)OCC(c1cccc(-c2ccccc2C(F)(F)F)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| 71612680 | 89977 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 440 | 4 | 1 | 4 | 5.6 | O=C(O)C[C@@H]1COc2cc3c(cc21)OCC(c1cccc(-c2ccc(F)cc2Cl)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381317 | 89977 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 440 | 4 | 1 | 4 | 5.6 | O=C(O)C[C@@H]1COc2cc3c(cc21)OCC(c1cccc(-c2ccc(F)cc2Cl)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| 57705719 | 164445 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 520 | 10 | 1 | 3 | 8.4 | CC[C@H](CC(=O)O)c1ccc(F)c(OCc2ccc(-c3cc(OC)ccc3F)c(C3=CCCC3(C)C)c2)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| CHEMBL4214121 | 164445 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 520 | 10 | 1 | 3 | 8.4 | CC[C@H](CC(=O)O)c1ccc(F)c(OCc2ccc(-c3cc(OC)ccc3F)c(C3=CCCC3(C)C)c2)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| 87262743 | 158757 | 0 | None | -4 | 2 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 449 | 6 | 1 | 4 | 5.6 | O=C(O)C[C@@H]1C[C@H](C(F)(F)F)CN1c1ccc(Oc2ccccc2OC(F)(F)F)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4094160 | 158757 | 0 | None | -4 | 2 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 449 | 6 | 1 | 4 | 5.6 | O=C(O)C[C@@H]1C[C@H](C(F)(F)F)CN1c1ccc(Oc2ccccc2OC(F)(F)F)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 54582149 | 61776 | 0 | None | 33 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 281 | 6 | 1 | 3 | 3.2 | N#Cc1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm300215x | ||
| CHEMBL1773255 | 61776 | 0 | None | 33 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 281 | 6 | 1 | 3 | 3.2 | N#Cc1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm300215x | ||
| 127027727 | 137788 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 501 | 9 | 1 | 5 | 6.2 | O=C1NC(=O)C(Cc2ccc(OCC[C@H](Oc3ccc(C(F)(F)F)cc3)c3ccccc3)cc2)S1 | 10.1016/j.ejmech.2015.12.049 | ||
| CHEMBL3759746 | 137788 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 501 | 9 | 1 | 5 | 6.2 | O=C1NC(=O)C(Cc2ccc(OCC[C@H](Oc3ccc(C(F)(F)F)cc3)c3ccccc3)cc2)S1 | 10.1016/j.ejmech.2015.12.049 | ||
| 54584098 | 61775 | 5 | None | 5 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 334 | 6 | 1 | 2 | 4.0 | O=C(O)CCc1ccc(OCc2cccc(Br)c2)cc1 | 10.1021/jm300215x | ||
| CHEMBL1773254 | 61775 | 5 | None | 5 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 334 | 6 | 1 | 2 | 4.0 | O=C(O)CCc1ccc(OCc2cccc(Br)c2)cc1 | 10.1021/jm300215x | ||
| 54757625 | 65308 | 1 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 270 | 3 | 1 | 2 | 3.5 | Cc1ccsc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm2005699 | ||
| CHEMBL1829156 | 65308 | 1 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 270 | 3 | 1 | 2 | 3.5 | Cc1ccsc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm2005699 | ||
| 9957245 | 178961 | 14 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 490 | 22 | 3 | 5 | 9.0 | CCCCCCCCCCCC(=O)c1c(O)cc(O)c(C(=O)CCCCCCCCCCC)c1O | 10.1016/j.bmcl.2008.10.085 | ||
| CHEMBL470757 | 178961 | 14 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 490 | 22 | 3 | 5 | 9.0 | CCCCCCCCCCCC(=O)c1c(O)cc(O)c(C(=O)CCCCCCCCCCC)c1O | 10.1016/j.bmcl.2008.10.085 | ||
| 168279392 | 191116 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 421 | 9 | 2 | 3 | 5.6 | CC1(C)C2CCC1(C)C(NCc1ccc(COc3ccc(CCC(=O)O)cc3)cc1)C2 | 10.1016/j.bmcl.2021.127969 | ||
| CHEMBL5188313 | 191116 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 421 | 9 | 2 | 3 | 5.6 | CC1(C)C2CCC1(C)C(NCc1ccc(COc3ccc(CCC(=O)O)cc3)cc1)C2 | 10.1016/j.bmcl.2021.127969 | ||
| 142738582 | 184496 | 0 | None | 42 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 293 | 4 | 2 | 1 | 4.5 | Cc1ccc(C)c(-c2cc3cc(CCC(=O)O)ccc3[nH]2)c1 | 10.1021/acs.jmedchem.1c00031 | ||
| CHEMBL4847662 | 184496 | 0 | None | 42 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 293 | 4 | 2 | 1 | 4.5 | Cc1ccc(C)c(-c2cc3cc(CCC(=O)O)ccc3[nH]2)c1 | 10.1021/acs.jmedchem.1c00031 | ||
| 118638010 | 167541 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 480 | 7 | 1 | 5 | 5.7 | COc1cc(-c2cnc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4165008 | 167541 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 480 | 7 | 1 | 5 | 5.7 | COc1cc(-c2cnc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4300503 | 167541 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 480 | 7 | 1 | 5 | 5.7 | COc1cc(-c2cnc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)c(F)cn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 3893 | 2274 | 98 | None | -1 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| 4642 | 2274 | 98 | None | -1 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| 5534 | 2274 | 98 | None | -1 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL108766 | 2274 | 98 | None | -1 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| DB03017 | 2274 | 98 | None | -1 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| 23346507 | 88259 | 1 | None | 30 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 255 | 6 | 2 | 2 | 3.3 | O=C(O)CCc1ccc(NCc2ccccc2)cc1 | 10.1021/ml100106c | ||
| CHEMBL234834 | 88259 | 1 | None | 30 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 255 | 6 | 2 | 2 | 3.3 | O=C(O)CCc1ccc(NCc2ccccc2)cc1 | 10.1021/ml100106c | ||
| 54584571 | 62139 | 0 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 455 | 6 | 1 | 5 | 4.8 | CC#C[C@H](c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)[C@H]1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777877 | 62139 | 0 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 455 | 6 | 1 | 5 | 4.8 | CC#C[C@H](c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)[C@H]1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| 57522038 | 3856 | 60 | None | -1995 | 3 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 364 | 7 | 1 | 2 | 5.4 | OC(=O)CCc1ccc(cc1)OCc1cc(F)ccc1c1ccc(cc1)C | 10.1016/j.bmc.2017.10.040 | ||
| 6490 | 3856 | 60 | None | -1995 | 3 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 364 | 7 | 1 | 2 | 5.4 | OC(=O)CCc1ccc(cc1)OCc1cc(F)ccc1c1ccc(cc1)C | 10.1016/j.bmc.2017.10.040 | ||
| CHEMBL2058533 | 3856 | 60 | None | -1995 | 3 | Human | 4.1 | pEC50 | = | 4.1 | Functional | ChEMBL | 364 | 7 | 1 | 2 | 5.4 | OC(=O)CCc1ccc(cc1)OCc1cc(F)ccc1c1ccc(cc1)C | 10.1016/j.bmc.2017.10.040 | ||
| 145983825 | 165716 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 485 | 12 | 1 | 7 | 4.7 | Cc1cc(OCCO[N+](=O)[O-])cc(C)c1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2018.07.050 | ||
| CHEMBL4246335 | 165716 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 485 | 12 | 1 | 7 | 4.7 | Cc1cc(OCCO[N+](=O)[O-])cc(C)c1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2018.07.050 | ||
| 127048842 | 140211 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 367 | 6 | 2 | 5 | 3.8 | Cc1cccc(-c2cccc(NC(=O)c3nnc(CCC(=O)O)s3)c2)c1 | 10.1016/j.bmc.2016.04.065 | ||
| CHEMBL3805328 | 140211 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 367 | 6 | 2 | 5 | 3.8 | Cc1cccc(-c2cccc(NC(=O)c3nnc(CCC(=O)O)s3)c2)c1 | 10.1016/j.bmc.2016.04.065 | ||
| 90644302 | 111943 | 0 | None | -3 | 2 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 301 | 8 | 1 | 4 | 3.2 | CCOC(CC(=O)O)c1ccc(OCc2ccccc2)nc1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288361 | 111943 | 0 | None | -3 | 2 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 301 | 8 | 1 | 4 | 3.2 | CCOC(CC(=O)O)c1ccc(OCc2ccccc2)nc1 | 10.1016/j.bmcl.2014.04.065 | ||
| 1622278 | 94975 | 10 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 341 | 7 | 1 | 5 | 3.6 | O=C(O)CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S | 10.1021/jm7012425 | ||
| CHEMBL254861 | 94975 | 10 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 341 | 7 | 1 | 5 | 3.6 | O=C(O)CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S | 10.1021/jm7012425 | ||
| 90372616 | 142208 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 530 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C(OC)C2CC2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3884609 | 142208 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 530 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C(OC)C2CC2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 145982433 | 166655 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 342 | 8 | 1 | 4 | 3.8 | Cc1ccc(OCCCOc2ccc3c(c2)OCC3CC(=O)O)cc1 | 10.1016/j.ejmech.2018.09.071 | ||
| CHEMBL4281988 | 166655 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 342 | 8 | 1 | 4 | 3.8 | Cc1ccc(OCCCOc2ccc3c(c2)OCC3CC(=O)O)cc1 | 10.1016/j.ejmech.2018.09.071 | ||
| 90151763 | 157820 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 462 | 6 | 1 | 6 | 4.3 | C[C@@H]1C(C(F)(F)F)=NN(c2ccc(OC3CCN(c4cccnc4)CC3)cc2)[C@H]1CC(=O)O | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4083678 | 157820 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 462 | 6 | 1 | 6 | 4.3 | C[C@@H]1C(C(F)(F)F)=NN(c2ccc(OC3CCN(c4cccnc4)CC3)cc2)[C@H]1CC(=O)O | 10.1021/acs.jmedchem.7b00982 | ||
| 134141490 | 154560 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 527 | 10 | 1 | 4 | 6.6 | Cc1ccc(CC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(=O)O)cc5)cc4)CC3)C2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| CHEMBL3926143 | 154560 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 527 | 10 | 1 | 4 | 6.6 | Cc1ccc(CC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(=O)O)cc5)cc4)CC3)C2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| CHEMBL3991349 | 154560 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 527 | 10 | 1 | 4 | 6.6 | Cc1ccc(CC2CCOC3(CCN(Cc4ccc(COc5ccc(CCC(=O)O)cc5)cc4)CC3)C2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| 53248846 | 62123 | 0 | None | 1 | 2 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 414 | 7 | 1 | 3 | 5.7 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777861 | 62123 | 0 | None | 1 | 2 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 414 | 7 | 1 | 3 | 5.7 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 57706009 | 80637 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 450 | 8 | 1 | 3 | 7.0 | COc1ccc(F)c(-c2ccc(COc3cccc([C@H](C)CC(=O)O)c3)cc2C(C)(C)C)c1 | 10.1021/ml300133f | ||
| CHEMBL2151294 | 80637 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 450 | 8 | 1 | 3 | 7.0 | COc1ccc(F)c(-c2ccc(COc3cccc([C@H](C)CC(=O)O)c3)cc2C(C)(C)C)c1 | 10.1021/ml300133f | ||
| 57391960 | 69995 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 370 | 7 | 1 | 2 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(-c3ccccc3)cc2)cc1 | 10.1021/ml300133f | ||
| CHEMBL1939651 | 69995 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 370 | 7 | 1 | 2 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(-c3ccccc3)cc2)cc1 | 10.1021/ml300133f | ||
| 127025488 | 137812 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 403 | 6 | 1 | 4 | 5.1 | Cc1ccccc1-c1cccc(COc2ccc(CC3SC(=O)NC3=O)cc2)c1 | 10.1016/j.ejmech.2015.12.049 | ||
| CHEMBL3759922 | 137812 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 403 | 6 | 1 | 4 | 5.1 | Cc1ccccc1-c1cccc(COc2ccc(CC3SC(=O)NC3=O)cc2)c1 | 10.1016/j.ejmech.2015.12.049 | ||
| 142738553 | 162219 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 299 | 4 | 2 | 1 | 4.5 | O=C(O)CCc1ccc2[nH]c(-c3ccc(Cl)cc3)cc2c1 | 10.1021/acsmedchemlett.7b00460 | ||
| CHEMBL4163511 | 162219 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 299 | 4 | 2 | 1 | 4.5 | O=C(O)CCc1ccc2[nH]c(-c3ccc(Cl)cc3)cc2c1 | 10.1021/acsmedchemlett.7b00460 | ||
| 46231596 | 201950 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 401 | 4 | 1 | 4 | 5.0 | O=C1NC(=O)C(Cc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL607983 | 201950 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 401 | 4 | 1 | 4 | 5.0 | O=C1NC(=O)C(Cc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 90644303 | 111945 | 0 | None | -2 | 2 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 314 | 8 | 1 | 3 | 4.1 | CCOC(CC(=O)O)c1ccc(OCc2cccc(C)c2)cc1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288363 | 111945 | 0 | None | -2 | 2 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 314 | 8 | 1 | 3 | 4.1 | CCOC(CC(=O)O)c1ccc(OCc2cccc(C)c2)cc1 | 10.1016/j.bmcl.2014.04.065 | ||
| 137636358 | 155862 | 0 | None | -1 | 2 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 517 | 8 | 1 | 4 | 6.8 | COc1ccc(F)c(Cc2cccc(Oc3ccc(N4C[C@@H](C(F)(F)F)C[C@H]4CC(=O)O)cc3)c2C)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4060499 | 155862 | 0 | None | -1 | 2 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 517 | 8 | 1 | 4 | 6.8 | COc1ccc(F)c(Cc2cccc(Oc3ccc(N4C[C@@H](C(F)(F)F)C[C@H]4CC(=O)O)cc3)c2C)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 1622278 | 94975 | 10 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 341 | 7 | 1 | 5 | 3.6 | O=C(O)CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S | 10.1021/jm7012425 | ||
| CHEMBL254861 | 94975 | 10 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 341 | 7 | 1 | 5 | 3.6 | O=C(O)CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S | 10.1021/jm7012425 | ||
| 45107307 | 111944 | 4 | None | -3 | 2 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 314 | 8 | 1 | 3 | 4.1 | CCOC(CC(=O)O)c1ccc(OCc2ccccc2C)cc1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288362 | 111944 | 4 | None | -3 | 2 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 314 | 8 | 1 | 3 | 4.1 | CCOC(CC(=O)O)c1ccc(OCc2ccccc2C)cc1 | 10.1016/j.bmcl.2014.04.065 | ||
| 71460255 | 80767 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 420 | 9 | 1 | 3 | 6.0 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL2152069 | 80767 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 420 | 9 | 1 | 3 | 6.0 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 71460255 | 80767 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 420 | 9 | 1 | 3 | 6.0 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL2152069 | 80767 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 420 | 9 | 1 | 3 | 6.0 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 127047532 | 139624 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 427 | 9 | 1 | 5 | 5.5 | Cc1noc(C)c1-c1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(OC(C)C)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3797784 | 139624 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 427 | 9 | 1 | 5 | 5.5 | Cc1noc(C)c1-c1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(OC(C)C)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| 1050 | 1889 | 94 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1016/j.bmcl.2006.12.084 | ||
| 11595431 | 1889 | 94 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1016/j.bmcl.2006.12.084 | ||
| CHEMBL207881 | 1889 | 94 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1016/j.bmcl.2006.12.084 | ||
| 145975484 | 163970 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 480 | 10 | 1 | 5 | 5.2 | Cc1cc(OCC2CC2)cc(C)c1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4208237 | 163970 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 480 | 10 | 1 | 5 | 5.2 | Cc1cc(OCC2CC2)cc(C)c1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| 54757830 | 65321 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 335 | 3 | 1 | 2 | 4.3 | O=C(O)CCc1ccc(C#Cc2ccnc3cc(Cl)ccc23)cc1 | 10.1021/jm2005699 | ||
| CHEMBL1829169 | 65321 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 335 | 3 | 1 | 2 | 4.3 | O=C(O)CCc1ccc(C#Cc2ccnc3cc(Cl)ccc23)cc1 | 10.1021/jm2005699 | ||
| 57521919 | 76248 | 0 | None | -23 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 350 | 7 | 1 | 2 | 5.1 | O=C(O)CCc1ccc(OCc2cc(F)ccc2-c2ccccc2)cc1 | 10.1016/j.bmc.2017.10.040 | ||
| CHEMBL2058532 | 76248 | 0 | None | -23 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 350 | 7 | 1 | 2 | 5.1 | O=C(O)CCc1ccc(OCc2cc(F)ccc2-c2ccccc2)cc1 | 10.1016/j.bmc.2017.10.040 | ||
| CHEMBL4207911 | 76248 | 0 | None | -23 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 350 | 7 | 1 | 2 | 5.1 | O=C(O)CCc1ccc(OCc2cc(F)ccc2-c2ccccc2)cc1 | 10.1016/j.bmc.2017.10.040 | ||
| 24825491 | 88002 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 305 | 6 | 2 | 2 | 4.5 | O=C(O)CCc1ccc(NCc2ccc3ccccc3c2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| CHEMBL234467 | 88002 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 305 | 6 | 2 | 2 | 4.5 | O=C(O)CCc1ccc(NCc2ccc3ccccc3c2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| 24825492 | 149518 | 0 | None | 9 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 333 | 6 | 2 | 2 | 4.1 | O=C(O)CCc1ccc(NCc2cccc(Br)c2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| CHEMBL394666 | 149518 | 0 | None | 9 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 333 | 6 | 2 | 2 | 4.1 | O=C(O)CCc1ccc(NCc2cccc(Br)c2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| 54757829 | 65320 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 375 | 5 | 1 | 2 | 4.7 | O=C(O)CCc1ccc(C#Cc2ccnc(Cl)c2Cc2ccccc2)cc1 | 10.1021/jm2005699 | ||
| CHEMBL1829168 | 65320 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 375 | 5 | 1 | 2 | 4.7 | O=C(O)CCc1ccc(C#Cc2ccnc(Cl)c2Cc2ccccc2)cc1 | 10.1021/jm2005699 | ||
| 23346507 | 88259 | 1 | None | 30 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 255 | 6 | 2 | 2 | 3.3 | O=C(O)CCc1ccc(NCc2ccccc2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| CHEMBL234834 | 88259 | 1 | None | 30 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 255 | 6 | 2 | 2 | 3.3 | O=C(O)CCc1ccc(NCc2ccccc2)cc1 | 10.1016/j.bmcl.2006.12.084 | ||
| 137638995 | 156941 | 0 | None | -16 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 338 | 6 | 1 | 2 | 4.6 | Cc1cc(CCC(=O)O)ccc1OCc1ccccc1C(F)(F)F | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4072885 | 156941 | 0 | None | -16 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 338 | 6 | 1 | 2 | 4.6 | Cc1cc(CCC(=O)O)ccc1OCc1ccccc1C(F)(F)F | 10.1016/j.bmcl.2017.01.034 | ||
| 137642604 | 158493 | 0 | None | -41 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 370 | 7 | 1 | 3 | 5.2 | Cc1cc(CCC(=O)O)ccc1OCc1ccccc1SC(F)(F)F | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4091228 | 158493 | 0 | None | -41 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 370 | 7 | 1 | 3 | 5.2 | Cc1cc(CCC(=O)O)ccc1OCc1ccccc1SC(F)(F)F | 10.1016/j.bmcl.2017.01.034 | ||
| 16058685 | 172535 | 0 | None | -1 | 2 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 229 | 7 | 1 | 3 | 3.1 | CCCCCCCCC1SC(=O)NC1=O | 10.1016/j.bmcl.2008.10.085 | ||
| CHEMBL448569 | 172535 | 0 | None | -1 | 2 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 229 | 7 | 1 | 3 | 3.1 | CCCCCCCCC1SC(=O)NC1=O | 10.1016/j.bmcl.2008.10.085 | ||
| 131986030 | 164790 | 0 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 566 | 11 | 2 | 7 | 6.9 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCCC(C)(C)O)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4218596 | 164790 | 0 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 566 | 11 | 2 | 7 | 6.9 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCCC(C)(C)O)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 11674915 | 58832 | 1 | None | 1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 360 | 7 | 1 | 2 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/acs.jmedchem.6b01357 | ||
| CHEMBL1688486 | 58832 | 1 | None | 1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 360 | 7 | 1 | 2 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/acs.jmedchem.6b01357 | ||
| 137661294 | 159476 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 485 | 7 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(N3CCC4(CCc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4101901 | 159476 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 485 | 7 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(N3CCC4(CCc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 68194743 | 182524 | 12 | None | -5 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 499 | 8 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4787498 | 182524 | 12 | None | -5 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 499 | 8 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 90357481 | 167592 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4163916 | 167592 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4301212 | 167592 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 162676686 | 183462 | 0 | None | -11 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 523 | 8 | 1 | 5 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4799453 | 183462 | 0 | None | -11 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 523 | 8 | 1 | 5 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 90644296 | 111936 | 0 | None | 29 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 379 | 7 | 1 | 3 | 4.9 | Cc1cccc(C)c1-c1cccc(COc2ccc(CC(F)C(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288354 | 111936 | 0 | None | 29 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 379 | 7 | 1 | 3 | 4.9 | Cc1cccc(C)c1-c1cccc(COc2ccc(CC(F)C(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 11674915 | 58832 | 1 | None | 1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 360 | 7 | 1 | 2 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| CHEMBL1688486 | 58832 | 1 | None | 1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 360 | 7 | 1 | 2 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| 57705880 | 111186 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 516 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2[C@@H]2CCCC2(C)C)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| CHEMBL3264816 | 111186 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 516 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2[C@@H]2CCCC2(C)C)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| 57707025 | 164537 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 504 | 10 | 1 | 3 | 8.3 | CC[C@H](CC(=O)O)c1cccc(OCc2ccc(-c3cc(OC)ccc3F)c([C@@H]3CCCC3(C)C)c2)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| CHEMBL4215239 | 164537 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 504 | 10 | 1 | 3 | 8.3 | CC[C@H](CC(=O)O)c1cccc(OCc2ccc(-c3cc(OC)ccc3F)c([C@@H]3CCCC3(C)C)c2)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmcl.2019.01.014 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmcl.2019.01.014 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmcl.2019.01.014 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmcl.2019.01.014 | ||
| 155512776 | 169640 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 462 | 7 | 1 | 4 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4ccccc4Cl)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| CHEMBL4437470 | 169640 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 462 | 7 | 1 | 4 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4ccccc4Cl)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| 155542122 | 173082 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 462 | 7 | 1 | 4 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4ccc(Cl)cc4)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| CHEMBL4520404 | 173082 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 462 | 7 | 1 | 4 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(-c4ccc(Cl)cc4)cc3O2)cc1 | 10.1016/j.bmcl.2019.01.014 | ||
| 145971688 | 162993 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 459 | 7 | 1 | 4 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCCc4ccccc43)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4175666 | 162993 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 459 | 7 | 1 | 4 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCCc4ccccc43)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2018.10.019 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2018.10.019 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2018.10.019 | ||
| 90151527 | 157195 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 493 | 6 | 1 | 5 | 5.4 | Cc1cccc(F)c1N1CCC(Oc2ccc(N3N=C(C(F)(F)F)[C@@H](C)[C@@H]3CC(=O)O)cc2)CC1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4076149 | 157195 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 493 | 6 | 1 | 5 | 5.4 | Cc1cccc(F)c1N1CCC(Oc2ccc(N3N=C(C(F)(F)F)[C@@H](C)[C@@H]3CC(=O)O)cc2)CC1 | 10.1021/acs.jmedchem.7b00982 | ||
| 145947468 | 167650 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 505 | 8 | 1 | 4 | 6.4 | O=C(O)C[C@@H]1COc2cc(OCc3cccc(-c4ccc5c(c4)CN(Cc4ccccc4)CC5)c3)ccc21 | 10.1016/j.bmcl.2018.07.048 | ||
| CHEMBL4244619 | 167650 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 505 | 8 | 1 | 4 | 6.4 | O=C(O)C[C@@H]1COc2cc(OCc3cccc(-c4ccc5c(c4)CN(Cc4ccccc4)CC5)c3)ccc21 | 10.1016/j.bmcl.2018.07.048 | ||
| CHEMBL4301987 | 167650 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 505 | 8 | 1 | 4 | 6.4 | O=C(O)C[C@@H]1COc2cc(OCc3cccc(-c4ccc5c(c4)CN(Cc4ccccc4)CC5)c3)ccc21 | 10.1016/j.bmcl.2018.07.048 | ||
| 145948093 | 167702 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 505 | 9 | 1 | 3 | 7.2 | CC(C)(CC(=O)O)c1ccc(OCc2cccc(-c3cccc4c3CCN(Cc3ccccc3)C4)c2)cc1 | 10.1016/j.bmcl.2018.07.048 | ||
| CHEMBL4241897 | 167702 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 505 | 9 | 1 | 3 | 7.2 | CC(C)(CC(=O)O)c1ccc(OCc2cccc(-c3cccc4c3CCN(Cc3ccccc3)C4)c2)cc1 | 10.1016/j.bmcl.2018.07.048 | ||
| CHEMBL4302692 | 167702 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 505 | 9 | 1 | 3 | 7.2 | CC(C)(CC(=O)O)c1ccc(OCc2cccc(-c3cccc4c3CCN(Cc3ccccc3)C4)c2)cc1 | 10.1016/j.bmcl.2018.07.048 | ||
| 15659412 | 203927 | 1 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 266 | 4 | 3 | 5 | 2.5 | CC(C)C(=O)c1c(O)cc(O)c(C(=O)C(C)C)c1O | 10.1016/j.bmcl.2008.10.085 | ||
| CHEMBL6931 | 203927 | 1 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 266 | 4 | 3 | 5 | 2.5 | CC(C)C(=O)c1c(O)cc(O)c(C(=O)C(C)C)c1O | 10.1016/j.bmcl.2008.10.085 | ||
| 145990337 | 166756 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 390 | 6 | 1 | 5 | 3.3 | O=C(O)CC1(c2ccc(OCC3COc4ccc(Cl)cc4O3)cc2)COC1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4283988 | 166756 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 390 | 6 | 1 | 5 | 3.3 | O=C(O)CC1(c2ccc(OCC3COc4ccc(Cl)cc4O3)cc2)COC1 | 10.1016/j.bmc.2018.10.019 | ||
| 145986689 | 167185 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 376 | 4 | 1 | 2 | 5.3 | Cc1ccc(-c2cccc(COc3ccc(C#CC(=O)O)cc3)c2)c(Cl)c1 | 10.1016/j.ejmech.2018.08.075 | ||
| CHEMBL4291766 | 167185 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 376 | 4 | 1 | 2 | 5.3 | Cc1ccc(-c2cccc(COc3ccc(C#CC(=O)O)cc3)c2)c(Cl)c1 | 10.1016/j.ejmech.2018.08.075 | ||
| 137634330 | 156351 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 540 | 12 | 1 | 6 | 6.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cc(OCCCS(C)(=O)=O)cc3C)c2)s1 | 10.1021/acs.jmedchem.6b01357 | ||
| CHEMBL4066238 | 156351 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 540 | 12 | 1 | 6 | 6.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cc(OCCCS(C)(=O)=O)cc3C)c2)s1 | 10.1021/acs.jmedchem.6b01357 | ||
| 90644294 | 111934 | 0 | None | 13 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 375 | 7 | 1 | 3 | 5.3 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(C)n2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288352 | 111934 | 0 | None | 13 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 375 | 7 | 1 | 3 | 5.3 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(C)n2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 66562287 | 139153 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 232 | 3 | 1 | 1 | 2.8 | C=C(C)C#Cc1ccc(CCC(=O)O)c(F)c1 | 10.1021/acs.jmedchem.5b01962 | ||
| CHEMBL3787463 | 139153 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 232 | 3 | 1 | 1 | 2.8 | C=C(C)C#Cc1ccc(CCC(=O)O)c(F)c1 | 10.1021/acs.jmedchem.5b01962 | ||
| 51350272 | 58811 | 0 | None | 107 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1ccccc1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/ml100106c | ||
| CHEMBL1688465 | 58811 | 0 | None | 107 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 346 | 7 | 1 | 2 | 5.3 | Cc1ccccc1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/ml100106c | ||
| 134133343 | 154451 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 531 | 10 | 1 | 4 | 6.4 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccccc3F)CCO4)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| CHEMBL3898066 | 154451 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 531 | 10 | 1 | 4 | 6.4 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccccc3F)CCO4)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| CHEMBL3990349 | 154451 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 531 | 10 | 1 | 4 | 6.4 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Cc3ccccc3F)CCO4)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| 118144982 | 170328 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 478 | 8 | 1 | 3 | 6.9 | COc1ccc(F)c(-c2ccc3c(c2F)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4447353 | 170328 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 478 | 8 | 1 | 3 | 6.9 | COc1ccc(F)c(-c2ccc3c(c2F)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 73777175 | 143884 | 0 | None | -17 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 357 | 3 | 1 | 2 | 4.9 | O=C(O)CC1CCC2(CC1)CCN(c1cc(F)cc(Cl)c1F)CC2 | 10.1021/acsmedchemlett.6b00360 | ||
| CHEMBL3901994 | 143884 | 0 | None | -17 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 357 | 3 | 1 | 2 | 4.9 | O=C(O)CC1CCC2(CC1)CCN(c1cc(F)cc(Cl)c1F)CC2 | 10.1021/acsmedchemlett.6b00360 | ||
| 71562640 | 86493 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 386 | 8 | 1 | 4 | 2.9 | CS(=O)(=O)CCCOc1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm301470a | ||
| CHEMBL2315253 | 86493 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 386 | 8 | 1 | 4 | 2.9 | CS(=O)(=O)CCCOc1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm301470a | ||
| 15659412 | 203927 | 1 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 266 | 4 | 3 | 5 | 2.5 | CC(C)C(=O)c1c(O)cc(O)c(C(=O)C(C)C)c1O | 10.1016/j.bmcl.2008.10.085 | ||
| CHEMBL6931 | 203927 | 1 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 266 | 4 | 3 | 5 | 2.5 | CC(C)C(=O)c1c(O)cc(O)c(C(=O)C(C)C)c1O | 10.1016/j.bmcl.2008.10.085 | ||
| 90372458 | 142199 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 500 | 7 | 1 | 3 | 7.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc(CCC(=O)O)cc4O3)cc2C2=CCCC2(C)C)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3884347 | 142199 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 500 | 7 | 1 | 3 | 7.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc(CCC(=O)O)cc4O3)cc2C2=CCCC2(C)C)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 51350273 | 58828 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 362 | 8 | 1 | 3 | 5.0 | COc1ccccc1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| CHEMBL1688482 | 58828 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 362 | 8 | 1 | 3 | 5.0 | COc1ccccc1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm101405t | ||
| 137644843 | 158135 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 423 | 6 | 1 | 5 | 5.5 | Cc1cccc(C)c1-c1cccc(COc2ccc(CC3SC(=O)NC3=O)s2)c1 | 10.1021/acs.jmedchem.6b01357 | ||
| CHEMBL4087365 | 158135 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 423 | 6 | 1 | 5 | 5.5 | Cc1cccc(C)c1-c1cccc(COc2ccc(CC3SC(=O)NC3=O)s2)c1 | 10.1021/acs.jmedchem.6b01357 | ||
| 58173000 | 119102 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 326 | 7 | 1 | 3 | 3.8 | CCO[C@@H](CC(=O)O)c1ccc(OC2Cc3ccccc3C2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3427707 | 119102 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 326 | 7 | 1 | 3 | 3.8 | CCO[C@@H](CC(=O)O)c1ccc(OC2Cc3ccccc3C2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 58218673 | 157501 | 0 | None | 5 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 413 | 5 | 1 | 3 | 5.7 | Cc1c(Cl)cccc1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4079930 | 157501 | 0 | None | 5 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 413 | 5 | 1 | 3 | 5.7 | Cc1c(Cl)cccc1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 58218726 | 159114 | 0 | None | 3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 393 | 5 | 1 | 3 | 5.3 | Cc1cccc(C)c1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4097951 | 159114 | 0 | None | 3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 393 | 5 | 1 | 3 | 5.3 | Cc1cccc(C)c1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 71613093 | 89957 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 570 | 9 | 1 | 7 | 5.4 | Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc([C@@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381297 | 89957 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 570 | 9 | 1 | 7 | 5.4 | Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc([C@@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| 145951402 | 162817 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 494 | 8 | 1 | 5 | 5.0 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(C4CCCCC4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4172853 | 162817 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 494 | 8 | 1 | 5 | 5.0 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(C4CCCCC4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 4987566 | 94630 | 2 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 333 | 7 | 2 | 3 | 4.6 | O=C(O)c1cccc(NCc2cccc(OCc3ccccc3)c2)c1 | 10.1021/jm7012425 | ||
| CHEMBL252527 | 94630 | 2 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 333 | 7 | 2 | 3 | 4.6 | O=C(O)c1cccc(NCc2cccc(OCc3ccccc3)c2)c1 | 10.1021/jm7012425 | ||
| 137638317 | 156698 | 0 | None | -11 | 2 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 387 | 6 | 1 | 5 | 4.4 | COc1cc(CCC(=O)O)ccc1-c1ccc2c(C)nn(-c3ccccn3)c2c1 | 10.1021/acs.jmedchem.7b00210 | ||
| CHEMBL4070273 | 156698 | 0 | None | -11 | 2 | Mouse | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 387 | 6 | 1 | 5 | 4.4 | COc1cc(CCC(=O)O)ccc1-c1ccc2c(C)nn(-c3ccccn3)c2c1 | 10.1021/acs.jmedchem.7b00210 | ||
| 131986250 | 163661 | 0 | None | -3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 471 | 7 | 1 | 6 | 5.7 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(N4CCCCC4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4204776 | 163661 | 0 | None | -3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 471 | 7 | 1 | 6 | 5.7 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(N4CCCCC4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 58173000 | 119102 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 326 | 7 | 1 | 3 | 3.8 | CCO[C@@H](CC(=O)O)c1ccc(OC2Cc3ccccc3C2)cc1 | 10.1021/ml500391n | ||
| CHEMBL3427707 | 119102 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 326 | 7 | 1 | 3 | 3.8 | CCO[C@@H](CC(=O)O)c1ccc(OC2Cc3ccccc3C2)cc1 | 10.1021/ml500391n | ||
| 162675949 | 183274 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 614 | 12 | 1 | 7 | 6.8 | COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(COc3cc([C@H](CC(=O)O)C4CC4)ccn3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4797024 | 183274 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 614 | 12 | 1 | 7 | 6.8 | COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(COc3cc([C@H](CC(=O)O)C4CC4)ccn3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 54583098 | 61779 | 0 | None | 70 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 331 | 7 | 2 | 2 | 5.0 | O=C(O)CCc1ccc(NCc2cccc(-c3ccccc3)c2)cc1 | 10.1021/jm300215x | ||
| CHEMBL1773258 | 61779 | 0 | None | 70 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 331 | 7 | 2 | 2 | 5.0 | O=C(O)CCc1ccc(NCc2cccc(-c3ccccc3)c2)cc1 | 10.1021/jm300215x | ||
| 58319094 | 86520 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 328 | 3 | 1 | 1 | 3.9 | O=C(O)CCc1ccc(C#Cc2ccccc2Br)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315548 | 86520 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 328 | 3 | 1 | 1 | 3.9 | O=C(O)CCc1ccc(C#Cc2ccccc2Br)cc1 | 10.1021/jm301470a | ||
| 127031001 | 139108 | 0 | None | 91 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 242 | 3 | 1 | 1 | 3.4 | CC(C)=C(C)C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/acs.jmedchem.5b01962 | ||
| CHEMBL3786972 | 139108 | 0 | None | 91 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 242 | 3 | 1 | 1 | 3.4 | CC(C)=C(C)C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/acs.jmedchem.5b01962 | ||
| 54586011 | 61778 | 0 | None | 14 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 324 | 6 | 1 | 2 | 4.3 | O=C(O)CCc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 | 10.1021/ml100106c | ||
| CHEMBL1773257 | 61778 | 0 | None | 14 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 324 | 6 | 1 | 2 | 4.3 | O=C(O)CCc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 | 10.1021/ml100106c | ||
| 145981771 | 166644 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 366 | 6 | 1 | 4 | 3.7 | O=C(O)CCc1ccc(OCC2COc3ccc(Cl)cc3O2)cc1F | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4281714 | 166644 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 366 | 6 | 1 | 4 | 3.7 | O=C(O)CCc1ccc(OCC2COc3ccc(Cl)cc3O2)cc1F | 10.1016/j.bmc.2018.10.019 | ||
| 561372 | 58797 | 65 | None | 20 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 256 | 6 | 1 | 2 | 3.3 | O=C(O)CCc1ccc(OCc2ccccc2)cc1 | 10.1021/ml100106c | ||
| CHEMBL1688452 | 58797 | 65 | None | 20 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 256 | 6 | 1 | 2 | 3.3 | O=C(O)CCc1ccc(OCc2ccccc2)cc1 | 10.1021/ml100106c | ||
| 90372625 | 167697 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 444 | 7 | 1 | 5 | 5.4 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4159022 | 167697 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 444 | 7 | 1 | 5 | 5.4 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4302640 | 167697 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 444 | 7 | 1 | 5 | 5.4 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)nc2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 57325841 | 74076 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 474 | 11 | 1 | 4 | 6.2 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)CC(CC(=O)O)C4)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022579 | 74076 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 474 | 11 | 1 | 4 | 6.2 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)CC(CC(=O)O)C4)c2)c(C)c1 | 10.1021/jm2012968 | ||
| 121294461 | 182407 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 615 | 11 | 1 | 7 | 6.1 | COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(COc3cccc(C4(CC(=O)O)COC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4786019 | 182407 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 615 | 11 | 1 | 7 | 6.1 | COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(COc3cccc(C4(CC(=O)O)COC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 90644288 | 111928 | 0 | None | -20 | 2 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 366 | 7 | 1 | 3 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)s2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288346 | 111928 | 0 | None | -20 | 2 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 366 | 7 | 1 | 3 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)s2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 145994196 | 167371 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 354 | 9 | 1 | 4 | 3.8 | O=C(O)COc1ccc(OCCCOc2cccc(Cl)c2)cc1F | 10.1016/j.ejmech.2018.09.071 | ||
| CHEMBL4295200 | 167371 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 354 | 9 | 1 | 4 | 3.8 | O=C(O)COc1ccc(OCCCOc2cccc(Cl)c2)cc1F | 10.1016/j.ejmech.2018.09.071 | ||
| 131986182 | 164597 | 0 | None | -3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 538 | 11 | 1 | 7 | 6.3 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4cc(OCCOC)ccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4216026 | 164597 | 0 | None | -3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 538 | 11 | 1 | 7 | 6.3 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4cc(OCCOC)ccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 54582628 | 62125 | 0 | None | 1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 383 | 5 | 1 | 3 | 4.7 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)cc2Br)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777863 | 62125 | 0 | None | 1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 383 | 5 | 1 | 3 | 4.7 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)cc2Br)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 44589697 | 191587 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 354 | 7 | 1 | 1 | 5.5 | C=C/C=C/c1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1/C=C/C=C | 10.1021/jm8010178 | ||
| CHEMBL519548 | 191587 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 354 | 7 | 1 | 1 | 5.5 | C=C/C=C/c1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1/C=C/C=C | 10.1021/jm8010178 | ||
| 127033821 | 138791 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 415 | 6 | 1 | 5 | 5.3 | Cc1nc(-c2ccc(Cl)cc2)sc1COc1ccc2c(c1)OCC2CC(=O)O | 10.1016/j.ejmech.2016.02.040 | ||
| CHEMBL3781162 | 138791 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 415 | 6 | 1 | 5 | 5.3 | Cc1nc(-c2ccc(Cl)cc2)sc1COc1ccc2c(c1)OCC2CC(=O)O | 10.1016/j.ejmech.2016.02.040 | ||
| 57521812 | 76238 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 410 | 7 | 1 | 2 | 5.7 | O=C(O)CCc1ccc(OCc2ccccc2-c2ccc(Br)cc2)cc1 | 10.1021/jm300215x | ||
| CHEMBL2058523 | 76238 | 0 | None | -2 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 410 | 7 | 1 | 2 | 5.7 | O=C(O)CCc1ccc(OCc2ccccc2-c2ccc(Br)cc2)cc1 | 10.1021/jm300215x | ||
| 127027728 | 137811 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 467 | 9 | 1 | 5 | 5.8 | O=C1NC(=O)C(Cc2ccc(OCC[C@H](Oc3ccc(Cl)cc3)c3ccccc3)cc2)S1 | 10.1016/j.ejmech.2015.12.049 | ||
| CHEMBL3759913 | 137811 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 467 | 9 | 1 | 5 | 5.8 | O=C1NC(=O)C(Cc2ccc(OCC[C@H](Oc3ccc(Cl)cc3)c3ccccc3)cc2)S1 | 10.1016/j.ejmech.2015.12.049 | ||
| 137642604 | 158493 | 0 | None | -41 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 370 | 7 | 1 | 3 | 5.2 | Cc1cc(CCC(=O)O)ccc1OCc1ccccc1SC(F)(F)F | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4091228 | 158493 | 0 | None | -41 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 370 | 7 | 1 | 3 | 5.2 | Cc1cc(CCC(=O)O)ccc1OCc1ccccc1SC(F)(F)F | 10.1016/j.bmcl.2017.01.034 | ||
| 131986162 | 164812 | 0 | None | -3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 414 | 7 | 1 | 5 | 5.2 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(C4CC4)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4218822 | 164812 | 0 | None | -3 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 414 | 7 | 1 | 5 | 5.2 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(C4CC4)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 58230598 | 183095 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 487 | 8 | 1 | 3 | 6.5 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1Cl | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4794904 | 183095 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 487 | 8 | 1 | 3 | 6.5 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1Cl | 10.1021/acs.jmedchem.6b00892 | ||
| 148173135 | 171127 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 393 | 8 | 2 | 3 | 5.7 | CC(C)c1ccccc1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| CHEMBL4458669 | 171127 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 393 | 8 | 2 | 3 | 5.7 | CC(C)c1ccccc1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2019.06.087 | ||
| 137638995 | 156941 | 0 | None | -16 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 338 | 6 | 1 | 2 | 4.6 | Cc1cc(CCC(=O)O)ccc1OCc1ccccc1C(F)(F)F | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4072885 | 156941 | 0 | None | -16 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 338 | 6 | 1 | 2 | 4.6 | Cc1cc(CCC(=O)O)ccc1OCc1ccccc1C(F)(F)F | 10.1016/j.bmcl.2017.01.034 | ||
| 127046667 | 139912 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 370 | 7 | 1 | 5 | 4.1 | Cc1noc(C)c1-c1cc(COc2ccc(CCC(=O)O)c(F)c2)ccn1 | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3799646 | 139912 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 370 | 7 | 1 | 5 | 4.1 | Cc1noc(C)c1-c1cc(COc2ccc(CCC(=O)O)c(F)c2)ccn1 | 10.1016/j.ejmech.2016.03.054 | ||
| 155565379 | 175542 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 461 | 8 | 1 | 4 | 6.2 | COc1cc(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c(F)cn1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4579146 | 175542 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 461 | 8 | 1 | 4 | 6.2 | COc1cc(-c2ccc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c(F)cn1 | 10.1016/j.bmcl.2019.04.050 | ||
| 25150015 | 185280 | 1 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 278 | 3 | 1 | 1 | 3.7 | Cc1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1C | 10.1021/jm8010178 | ||
| CHEMBL485935 | 185280 | 1 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 278 | 3 | 1 | 1 | 3.7 | Cc1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1C | 10.1021/jm8010178 | ||
| 3367 | 1148 | 1 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 416 | 4 | 1 | 5 | 4.7 | O=C1NC(=O)C(S1)Cc1ccc(cc1C)Oc1ncc(cc1Cl)C(F)(F)F | 10.1021/jm2005699 | ||
| 46216676 | 1148 | 1 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 416 | 4 | 1 | 5 | 4.7 | O=C1NC(=O)C(S1)Cc1ccc(cc1C)Oc1ncc(cc1Cl)C(F)(F)F | 10.1021/jm2005699 | ||
| CHEMBL604126 | 1148 | 1 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 416 | 4 | 1 | 5 | 4.7 | O=C1NC(=O)C(S1)Cc1ccc(cc1C)Oc1ncc(cc1Cl)C(F)(F)F | 10.1021/jm2005699 | ||
| 1050 | 1889 | 94 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/ml100106c | ||
| 11595431 | 1889 | 94 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/ml100106c | ||
| CHEMBL207881 | 1889 | 94 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/ml100106c | ||
| 168291052 | 191895 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 472 | 10 | 1 | 4 | 6.4 | Cc1ccc(OCc2ccccc2)cc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL5200197 | 191895 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 472 | 10 | 1 | 4 | 6.4 | Cc1ccc(OCc2ccccc2)cc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| 54580626 | 62136 | 0 | None | 3 | 2 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 394 | 4 | 1 | 2 | 5.5 | CC#C[C@]1(c2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2)C[C@@H]1C(=O)O | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777874 | 62136 | 0 | None | 3 | 2 | Mouse | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 394 | 4 | 1 | 2 | 5.5 | CC#C[C@]1(c2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2)C[C@@H]1C(=O)O | 10.1016/j.bmcl.2011.03.114 | ||
| 131986065 | 163829 | 0 | None | -4 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 465 | 7 | 1 | 6 | 5.7 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4cccnc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4206579 | 163829 | 0 | None | -4 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 465 | 7 | 1 | 6 | 5.7 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4cccnc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 46231841 | 202105 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 435 | 4 | 1 | 4 | 5.7 | O=C1NC(=O)C(Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2C(F)(F)F)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL609037 | 202105 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 435 | 4 | 1 | 4 | 5.7 | O=C1NC(=O)C(Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2C(F)(F)F)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 71615670 | 89975 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 416 | 4 | 1 | 4 | 5.4 | Cc1ccc(C)c(-c2cccc(C3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381315 | 89975 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 416 | 4 | 1 | 4 | 5.4 | Cc1ccc(C)c(-c2cccc(C3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| 54582628 | 62125 | 0 | None | -1 | 2 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 383 | 5 | 1 | 3 | 4.7 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)cc2Br)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777863 | 62125 | 0 | None | -1 | 2 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 383 | 5 | 1 | 3 | 4.7 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)cc2Br)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 168289402 | 191287 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 408 | 7 | 1 | 4 | 5.8 | O=C(O)COc1ccc(OCc2cccc(-c3ccc4ccsc4c3)c2)cc1F | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL5191306 | 191287 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 408 | 7 | 1 | 4 | 5.8 | O=C(O)COc1ccc(OCc2cccc(-c3ccc4ccsc4c3)c2)cc1F | 10.1016/j.bmc.2022.116615 | ||
| 137647107 | 157529 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 379 | 6 | 1 | 3 | 5.0 | O=C(O)C[C@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4080336 | 157529 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 379 | 6 | 1 | 3 | 5.0 | O=C(O)C[C@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 10266133 | 156144 | 5 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 288 | 4 | 2 | 0 | 5.6 | CCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 | 10.1021/acs.jmedchem.6b01593 | ||
| CHEMBL4063898 | 156144 | 5 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 288 | 4 | 2 | 0 | 5.6 | CCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 | 10.1021/acs.jmedchem.6b01593 | ||
| 11507535 | 159274 | 1 | None | -1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 288 | 3 | 2 | 0 | 5.4 | CC(C)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 | 10.1021/acs.jmedchem.6b01593 | ||
| CHEMBL4099626 | 159274 | 1 | None | -1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 288 | 3 | 2 | 0 | 5.4 | CC(C)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 | 10.1021/acs.jmedchem.6b01593 | ||
| 58172991 | 122650 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 330 | 9 | 1 | 4 | 3.8 | CCOC(CC(=O)O)c1ccc(OCc2cccc(OC)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604042 | 122650 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 330 | 9 | 1 | 4 | 3.8 | CCOC(CC(=O)O)c1ccc(OCc2cccc(OC)c2)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 146316684 | 171541 | 0 | None | -3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 458 | 9 | 1 | 3 | 6.5 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@](C)(F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4464769 | 171541 | 0 | None | -3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 458 | 9 | 1 | 3 | 6.5 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@](C)(F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 58319135 | 86517 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 278 | 4 | 1 | 1 | 3.7 | CCc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315545 | 86517 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 278 | 4 | 1 | 1 | 3.7 | CCc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm301470a | ||
| 25150013 | 186223 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 318 | 3 | 1 | 1 | 4.1 | O=C(O)CCc1ccc(C#Cc2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm8010178 | ||
| CHEMBL487365 | 186223 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 318 | 3 | 1 | 1 | 4.1 | O=C(O)CCc1ccc(C#Cc2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm8010178 | ||
| 54584098 | 61775 | 5 | None | 5 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 334 | 6 | 1 | 2 | 4.0 | O=C(O)CCc1ccc(OCc2cccc(Br)c2)cc1 | 10.1021/ml100106c | ||
| CHEMBL1773254 | 61775 | 5 | None | 5 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 334 | 6 | 1 | 2 | 4.0 | O=C(O)CCc1ccc(OCc2cccc(Br)c2)cc1 | 10.1021/ml100106c | ||
| 127047533 | 139881 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 441 | 11 | 1 | 5 | 5.9 | CCCCOc1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(-c2c(C)noc2C)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3799443 | 139881 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 441 | 11 | 1 | 5 | 5.9 | CCCCOc1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(-c2c(C)noc2C)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| 137658391 | 159624 | 0 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 393 | 6 | 1 | 3 | 5.3 | Cc1cc(OCc2ccc(Cl)cc2Cl)ccc1N1CCC[C@H]1CC(=O)O | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4103681 | 159624 | 0 | None | 1 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 393 | 6 | 1 | 3 | 5.3 | Cc1cc(OCc2ccc(Cl)cc2Cl)ccc1N1CCC[C@H]1CC(=O)O | 10.1021/acs.jmedchem.6b01559 | ||
| 25150117 | 186663 | 1 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 280 | 4 | 2 | 2 | 2.6 | O=C(O)CCc1ccc(C#Cc2cccc(CO)c2)cc1 | 10.1021/jm8010178 | ||
| CHEMBL488385 | 186663 | 1 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 280 | 4 | 2 | 2 | 2.6 | O=C(O)CCc1ccc(C#Cc2cccc(CO)c2)cc1 | 10.1021/jm8010178 | ||
| 118645756 | 181438 | 7 | None | -1 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 479 | 11 | 1 | 6 | 5.4 | COc1cc(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2CC(C)C)c(F)cn1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4764485 | 181438 | 7 | None | -1 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 479 | 11 | 1 | 6 | 5.4 | COc1cc(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2CC(C)C)c(F)cn1 | 10.1016/j.bmcl.2018.01.013 | ||
| 131986295 | 163518 | 0 | None | -2 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 538 | 11 | 1 | 7 | 6.3 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCCOC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4202907 | 163518 | 0 | None | -2 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 538 | 11 | 1 | 7 | 6.3 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCCOC)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 131986294 | 163817 | 0 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 464 | 7 | 1 | 5 | 6.3 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4206445 | 163817 | 0 | None | -1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 464 | 7 | 1 | 5 | 6.3 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccccc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 90644562 | 111779 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 488 | 8 | 1 | 6 | 6.3 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)O)c2cnco2)cc1 | 10.1021/ml400501x | ||
| CHEMBL3287576 | 111779 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 488 | 8 | 1 | 6 | 6.3 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)O)c2cnco2)cc1 | 10.1021/ml400501x | ||
| 118129979 | 155770 | 0 | None | 3 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 436 | 7 | 1 | 6 | 4.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C#N)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4059614 | 155770 | 0 | None | 3 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 436 | 7 | 1 | 6 | 4.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C#N)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 131986116 | 163800 | 0 | None | 1 | 2 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 600 | 12 | 1 | 8 | 6.1 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCCCS(C)(=O)=O)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| CHEMBL4206318 | 163800 | 0 | None | 1 | 2 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 600 | 12 | 1 | 8 | 6.1 | CC#C[C@@H](Cc1nnn[nH]1)c1ccc(OCc2ccc3scc(-c4ccc(OCCCS(C)(=O)=O)cc4C)c3c2)cc1 | 10.1016/j.bmcl.2017.12.022 | ||
| 51049992 | 145594 | 5 | None | -23 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL3915620 | 145594 | 5 | None | -23 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 51049992 | 145594 | 5 | None | -23 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL3915620 | 145594 | 5 | None | -23 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 60195125 | 3857 | 8 | None | 4 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 499 | 12 | 2 | 5 | 5.2 | OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm3002026 | ||
| 9149 | 3857 | 8 | None | 4 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 499 | 12 | 2 | 5 | 5.2 | OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm3002026 | ||
| CHEMBL2164242 | 3857 | 8 | None | 4 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 499 | 12 | 2 | 5 | 5.2 | OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm3002026 | ||
| 44409926 | 75954 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 485 | 7 | 2 | 4 | 6.5 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(=O)NC2CCC2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| CHEMBL205433 | 75954 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 485 | 7 | 2 | 4 | 6.5 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(=O)NC2CCC2)cc1 | 10.1016/j.bmcl.2006.01.007 | ||
| 127045863 | 139955 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 403 | 7 | 1 | 4 | 5.3 | Cc1noc(C)c1-c1ccc(Cl)c(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3799898 | 139955 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 403 | 7 | 1 | 4 | 5.3 | Cc1noc(C)c1-c1ccc(Cl)c(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| 90644293 | 111933 | 0 | None | 13 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 375 | 7 | 1 | 3 | 5.3 | Cc1cc(OCc2cccc(-c3c(C)cccc3C)c2)ncc1CCC(=O)O | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288351 | 111933 | 0 | None | 13 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 375 | 7 | 1 | 3 | 5.3 | Cc1cc(OCc2cccc(-c3c(C)cccc3C)c2)ncc1CCC(=O)O | 10.1016/j.bmcl.2014.04.065 | ||
| 60195038 | 81763 | 0 | None | 912 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 363 | 7 | 2 | 2 | 5.4 | Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm3002026 | ||
| CHEMBL2164239 | 81763 | 0 | None | 912 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 363 | 7 | 2 | 2 | 5.4 | Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm3002026 | ||
| 142738539 | 162295 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 343 | 4 | 2 | 1 | 4.6 | O=C(O)CCc1ccc2[nH]c(-c3ccccc3Br)cc2c1 | 10.1021/acsmedchemlett.7b00460 | ||
| CHEMBL4164625 | 162295 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 343 | 4 | 2 | 1 | 4.6 | O=C(O)CCc1ccc2[nH]c(-c3ccccc3Br)cc2c1 | 10.1021/acsmedchemlett.7b00460 | ||
| 118645671 | 180905 | 0 | None | 5 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 476 | 10 | 1 | 5 | 6.3 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C=C(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4758060 | 180905 | 0 | None | 5 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 476 | 10 | 1 | 5 | 6.3 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C=C(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| 162659599 | 181174 | 0 | None | 4 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 515 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4761101 | 181174 | 0 | None | 4 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 515 | 10 | 1 | 4 | 7.6 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2C2=CCCC2(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| 118645392 | 180085 | 0 | None | 2 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 494 | 12 | 1 | 6 | 5.9 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2OCC(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| CHEMBL4748392 | 180085 | 0 | None | 2 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 494 | 12 | 1 | 6 | 5.9 | COc1ccc(F)c(-c2ncc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)nc2OCC(C)C)c1 | 10.1016/j.bmcl.2018.01.013 | ||
| 51350407 | 58834 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 360 | 7 | 1 | 2 | 5.6 | Cc1ccc(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)c(C)c1 | 10.1021/jm101405t | ||
| CHEMBL1688488 | 58834 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 360 | 7 | 1 | 2 | 5.6 | Cc1ccc(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)c(C)c1 | 10.1021/jm101405t | ||
| 45107323 | 122673 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 410 | 8 | 1 | 4 | 5.2 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c(OC(F)(F)F)cccc32)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604065 | 122673 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 410 | 8 | 1 | 4 | 5.2 | CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c(OC(F)(F)F)cccc32)cc1 | 10.1016/j.bmc.2015.07.028 | ||
| 57705679 | 163485 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 522 | 10 | 1 | 3 | 8.5 | CC[C@H](CC(=O)O)c1cc(F)cc(OCc2ccc(-c3cc(OC)ccc3F)c([C@@H]3CCCC3(C)C)c2)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| CHEMBL4202429 | 163485 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 522 | 10 | 1 | 3 | 8.5 | CC[C@H](CC(=O)O)c1cc(F)cc(OCc2ccc(-c3cc(OC)ccc3F)c([C@@H]3CCCC3(C)C)c2)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| 57706280 | 164803 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 530 | 10 | 1 | 3 | 8.7 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CCC4)c3)cc2[C@@H]2CCCC2(C)C)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| CHEMBL4218710 | 164803 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 530 | 10 | 1 | 3 | 8.7 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CCC4)c3)cc2[C@@H]2CCCC2(C)C)c1 | 10.1021/acsmedchemlett.8b00213 | ||
| 46231778 | 199458 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 368 | 4 | 1 | 5 | 4.1 | O=C1NC(=O)C(Cc2ccc(Oc3ncc(Cl)cc3Cl)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL591686 | 199458 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 368 | 4 | 1 | 5 | 4.1 | O=C1NC(=O)C(Cc2ccc(Oc3ncc(Cl)cc3Cl)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 145992623 | 166834 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 352 | 6 | 1 | 4 | 3.5 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccccc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4285582 | 166834 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 352 | 6 | 1 | 4 | 3.5 | CC#C[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccccc3O2)cc1 | 10.1016/j.bmc.2018.10.019 | ||
| 134130352 | 142120 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 540 | 8 | 1 | 3 | 8.7 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C2=CCCC2(C)C)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883532 | 142120 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 540 | 8 | 1 | 3 | 8.7 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@@H](CC(=O)O)C5CC5)cc4O3)cc2C2=CCCC2(C)C)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 118145020 | 171045 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 461 | 8 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2cnc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| CHEMBL4457184 | 171045 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 461 | 8 | 1 | 4 | 6.2 | COc1ccc(F)c(-c2cnc3c(c2)CC[C@H]3Oc2cccc([C@H](C3CC3)[C@H](C)C(=O)O)c2)c1 | 10.1016/j.bmcl.2019.04.050 | ||
| 127046663 | 139750 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 439 | 10 | 1 | 5 | 5.5 | Cc1noc(C)c1-c1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(OCC2CC2)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3798609 | 139750 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 439 | 10 | 1 | 5 | 5.5 | Cc1noc(C)c1-c1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(OCC2CC2)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| 57705863 | 80636 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 436 | 8 | 1 | 3 | 6.4 | COc1ccc(F)c(-c2ccc(COc3cccc(CCC(=O)O)c3)cc2C(C)(C)C)c1 | 10.1021/ml300133f | ||
| CHEMBL2151293 | 80636 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 436 | 8 | 1 | 3 | 6.4 | COc1ccc(F)c(-c2ccc(COc3cccc(CCC(=O)O)c3)cc2C(C)(C)C)c1 | 10.1021/ml300133f | ||
| 57391957 | 69983 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 312 | 8 | 1 | 3 | 4.0 | C=CC(CC(=O)O)c1ccc(OCc2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| CHEMBL1939639 | 69983 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 312 | 8 | 1 | 3 | 4.0 | C=CC(CC(=O)O)c1ccc(OCc2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2011.10.118 | ||
| 137640781 | 156993 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 516 | 10 | 1 | 6 | 5.3 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Oc3ccccn3)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| CHEMBL4073421 | 156993 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 516 | 10 | 1 | 6 | 5.3 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(Oc3ccccn3)CCO4)cc2)cc1 | 10.1016/j.ejmech.2017.01.005 | ||
| 57325917 | 74079 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 476 | 11 | 1 | 5 | 6.0 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)COC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022582 | 74079 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 476 | 11 | 1 | 5 | 6.0 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)COC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| 54586011 | 61778 | 0 | None | 14 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 324 | 6 | 1 | 2 | 4.3 | O=C(O)CCc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm300215x | ||
| CHEMBL1773257 | 61778 | 0 | None | 14 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 324 | 6 | 1 | 2 | 4.3 | O=C(O)CCc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm300215x | ||
| 25150012 | 193428 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 275 | 3 | 1 | 2 | 3.0 | N#Cc1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm8010178 | ||
| CHEMBL526510 | 193428 | 1 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 275 | 3 | 1 | 2 | 3.0 | N#Cc1cccc(C#Cc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm8010178 | ||
| 168274068 | 190262 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 478 | 10 | 1 | 4 | 6.8 | Cc1ccc(OCC2CCCCC2)cc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| CHEMBL5175750 | 190262 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 478 | 10 | 1 | 4 | 6.8 | Cc1ccc(OCC2CCCCC2)cc1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2022.116615 | ||
| 90644295 | 111935 | 0 | None | -3 | 2 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 375 | 7 | 1 | 3 | 5.3 | Cc1cc(CCC(=O)O)cnc1OCc1cccc(-c2c(C)cccc2C)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288353 | 111935 | 0 | None | -3 | 2 | Rat | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 375 | 7 | 1 | 3 | 5.3 | Cc1cc(CCC(=O)O)cnc1OCc1cccc(-c2c(C)cccc2C)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 51349860 | 58798 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 332 | 7 | 1 | 2 | 5.0 | O=C(O)CCc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1 | 10.1021/ml100106c | ||
| CHEMBL1688453 | 58798 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 332 | 7 | 1 | 2 | 5.0 | O=C(O)CCc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1 | 10.1021/ml100106c | ||
| 54757619 | 65303 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 286 | 3 | 1 | 3 | 2.5 | O=C(O)CCc1ccc(C#Cc2ccnc(Cl)n2)cc1 | 10.1021/jm2005699 | ||
| CHEMBL1829151 | 65303 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 286 | 3 | 1 | 3 | 2.5 | O=C(O)CCc1ccc(C#Cc2ccnc(Cl)n2)cc1 | 10.1021/jm2005699 | ||
| 118642379 | 142094 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| CHEMBL3883354 | 142094 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 460 | 7 | 1 | 3 | 6.8 | COc1ccc(F)c(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@@H](C)C(=O)O)cc4O3)cc2)c1 | 10.1021/acsmedchemlett.6b00443 | ||
| 118719720 | 115637 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 532 | 12 | 1 | 6 | 5.5 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(OCC(=O)O)c(Cl)c2)c1 | 10.1016/j.bmc.2014.11.016 | ||
| CHEMBL3353741 | 115637 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 532 | 12 | 1 | 6 | 5.5 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(OCC(=O)O)c(Cl)c2)c1 | 10.1016/j.bmc.2014.11.016 | ||
| 90357481 | 167592 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4163916 | 167592 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4301212 | 167592 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 461 | 7 | 1 | 4 | 6.2 | COc1cc(-c2ccc(C3CCc4ccc([C@H](C5CC5)[C@H](C)C(=O)O)cc4O3)c(F)c2)ccn1 | 10.1021/acsmedchemlett.8b00149 | ||
| 137646368 | 158004 | 0 | None | -3 | 2 | Mouse | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 358 | 5 | 1 | 5 | 3.8 | Cc1nn(-c2ccccn2)c2cc(-c3ccc(CCC(=O)O)cc3)ncc12 | 10.1021/acs.jmedchem.7b00210 | ||
| CHEMBL4085695 | 158004 | 0 | None | -3 | 2 | Mouse | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 358 | 5 | 1 | 5 | 3.8 | Cc1nn(-c2ccccn2)c2cc(-c3ccc(CCC(=O)O)cc3)ncc12 | 10.1021/acs.jmedchem.7b00210 | ||
| 134133297 | 143754 | 0 | None | -117 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 372 | 7 | 1 | 3 | 4.9 | Cc1cc(-c2cc(OC(F)(F)F)ccc2F)ccc1OCCCC(=O)O | 10.1016/j.bmcl.2016.10.054 | ||
| CHEMBL3900990 | 143754 | 0 | None | -117 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 372 | 7 | 1 | 3 | 4.9 | Cc1cc(-c2cc(OC(F)(F)F)ccc2F)ccc1OCCCC(=O)O | 10.1016/j.bmcl.2016.10.054 | ||
| 46231434 | 200582 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 297 | 4 | 1 | 3 | 3.2 | O=C1NC(=O)C(Cc2ccc(Cc3ccccc3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL599270 | 200582 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 297 | 4 | 1 | 3 | 3.2 | O=C1NC(=O)C(Cc2ccc(Cc3ccccc3)cc2)S1 | 10.1016/j.bmcl.2009.10.052 | ||
| 54582629 | 62126 | 0 | None | -1 | 2 | Mouse | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 355 | 5 | 1 | 3 | 5.1 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)c3ccccc23)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777864 | 62126 | 0 | None | -1 | 2 | Mouse | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 355 | 5 | 1 | 3 | 5.1 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)c3ccccc23)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 71562421 | 86511 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 276 | 2 | 1 | 1 | 3.6 | Cc1cccc(C#Cc2ccc([C@H]3C[C@@H]3C(=O)O)cc2)c1 | 10.1021/jm301470a | ||
| CHEMBL2315539 | 86511 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 276 | 2 | 1 | 1 | 3.6 | Cc1cccc(C#Cc2ccc([C@H]3C[C@@H]3C(=O)O)cc2)c1 | 10.1021/jm301470a | ||
| 145985123 | 165885 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 513 | 14 | 1 | 7 | 5.5 | Cc1cc(OCCCCO[N+](=O)[O-])cc(C)c1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2018.07.050 | ||
| CHEMBL4250135 | 165885 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 513 | 14 | 1 | 7 | 5.5 | Cc1cc(OCCCCO[N+](=O)[O-])cc(C)c1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1 | 10.1016/j.bmc.2018.07.050 | ||
| 57521810 | 76236 | 0 | None | -1 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 350 | 7 | 1 | 2 | 5.1 | O=C(O)CCc1ccc(OCc2ccccc2-c2ccc(F)cc2)cc1 | 10.1021/jm300215x | ||
| CHEMBL2058521 | 76236 | 0 | None | -1 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 350 | 7 | 1 | 2 | 5.1 | O=C(O)CCc1ccc(OCc2ccccc2-c2ccc(F)cc2)cc1 | 10.1021/jm300215x | ||
| 11265145 | 86505 | 1 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 248 | 2 | 1 | 1 | 3.2 | O=C(O)/C=C/c1ccc(C#Cc2ccccc2)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315533 | 86505 | 1 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 248 | 2 | 1 | 1 | 3.2 | O=C(O)/C=C/c1ccc(C#Cc2ccccc2)cc1 | 10.1021/jm301470a | ||
| 145957539 | 162217 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 482 | 7 | 1 | 3 | 7.3 | O=C(O)C[C@H](c1ccc2c(c1)OC(c1ccc(-c3cccc(OC(F)(F)F)c3)cc1)CC2)C1CC1 | 10.1021/acsmedchemlett.8b00149 | ||
| CHEMBL4163496 | 162217 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 482 | 7 | 1 | 3 | 7.3 | O=C(O)C[C@H](c1ccc2c(c1)OC(c1ccc(-c3cccc(OC(F)(F)F)c3)cc1)CC2)C1CC1 | 10.1021/acsmedchemlett.8b00149 | ||
| 54580624 | 62122 | 0 | None | 2 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 362 | 5 | 1 | 2 | 5.4 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2C)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777860 | 62122 | 0 | None | 2 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 362 | 5 | 1 | 2 | 5.4 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2C)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 145954367 | 162541 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 533 | 9 | 1 | 7 | 4.8 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4168467 | 162541 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 533 | 9 | 1 | 7 | 4.8 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 71613095 | 89959 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 558 | 9 | 1 | 7 | 5.3 | CS(=O)(=O)CCCOc1ccc(-c2cccc([C@@H]3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c(Cl)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381299 | 89959 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 558 | 9 | 1 | 7 | 5.3 | CS(=O)(=O)CCCOc1ccc(-c2cccc([C@@H]3COc4cc5c(cc4O3)OC[C@H]5CC(=O)O)c2)c(Cl)c1 | 10.1016/j.bmcl.2013.03.060 | ||
| 75204485 | 155972 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 496 | 8 | 1 | 5 | 5.0 | COc1ccc(F)c(N2CC[C@H](COc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)C2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| CHEMBL4061819 | 155972 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 496 | 8 | 1 | 5 | 5.0 | COc1ccc(F)c(N2CC[C@H](COc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)C2)c1 | 10.1021/acs.jmedchem.7b00982 | ||
| 23111754 | 74019 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 414 | 6 | 1 | 2 | 6.8 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCCCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022245 | 74019 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 414 | 6 | 1 | 2 | 6.8 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCCCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| 134144214 | 150334 | 0 | None | -354 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 384 | 8 | 1 | 3 | 5.7 | O=C(O)CCCOc1ccc(-c2cc(Oc3cccc(F)c3)ccc2F)cc1 | 10.1016/j.bmcl.2016.10.054 | ||
| CHEMBL3953203 | 150334 | 0 | None | -354 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 384 | 8 | 1 | 3 | 5.7 | O=C(O)CCCOc1ccc(-c2cc(Oc3cccc(F)c3)ccc2F)cc1 | 10.1016/j.bmcl.2016.10.054 | ||
| 54582630 | 62128 | 0 | None | 1 | 2 | Mouse | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 383 | 5 | 1 | 3 | 5.1 | CC#CC(CC(=O)O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777866 | 62128 | 0 | None | 1 | 2 | Mouse | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 383 | 5 | 1 | 3 | 5.1 | CC#CC(CC(=O)O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 71562637 | 86527 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 334 | 4 | 1 | 2 | 4.0 | O=C(O)CCc1ccc(C#Cc2cccc(OC(F)(F)F)c2)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315555 | 86527 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 334 | 4 | 1 | 2 | 4.0 | O=C(O)CCc1ccc(C#Cc2cccc(OC(F)(F)F)c2)cc1 | 10.1021/jm301470a | ||
| 25149901 | 186662 | 1 | None | 61 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 250 | 3 | 1 | 1 | 3.1 | O=C(O)CCc1ccc(C#Cc2ccccc2)cc1 | 10.1021/jm8010178 | ||
| CHEMBL488384 | 186662 | 1 | None | 61 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 250 | 3 | 1 | 1 | 3.1 | O=C(O)CCc1ccc(C#Cc2ccccc2)cc1 | 10.1021/jm8010178 | ||
| 145974719 | 164672 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 482 | 10 | 1 | 5 | 5.4 | Cc1cc(OCC(C)C)cc(C)c1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4217180 | 164672 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 482 | 10 | 1 | 5 | 5.4 | Cc1cc(OCC(C)C)cc(C)c1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 | 10.1016/j.ejmech.2017.07.001 | ||
| 54585512 | 62133 | 0 | None | 1 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 335 | 5 | 1 | 4 | 3.0 | CC#CC(c1ccc(OCc2ccccc2)cc1)C1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777871 | 62133 | 0 | None | 1 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 335 | 5 | 1 | 4 | 3.0 | CC#CC(c1ccc(OCc2ccccc2)cc1)C1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| 57521919 | 76248 | 0 | None | -23 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 350 | 7 | 1 | 2 | 5.1 | O=C(O)CCc1ccc(OCc2cc(F)ccc2-c2ccccc2)cc1 | 10.1021/jm300215x | ||
| CHEMBL2058532 | 76248 | 0 | None | -23 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 350 | 7 | 1 | 2 | 5.1 | O=C(O)CCc1ccc(OCc2cc(F)ccc2-c2ccccc2)cc1 | 10.1021/jm300215x | ||
| CHEMBL4207911 | 76248 | 0 | None | -23 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 350 | 7 | 1 | 2 | 5.1 | O=C(O)CCc1ccc(OCc2cc(F)ccc2-c2ccccc2)cc1 | 10.1021/jm300215x | ||
| 54757620 | 65304 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 282 | 4 | 1 | 4 | 1.9 | COc1nccc(C#Cc2ccc(CCC(=O)O)cc2)n1 | 10.1021/jm2005699 | ||
| CHEMBL1829152 | 65304 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 282 | 4 | 1 | 4 | 1.9 | COc1nccc(C#Cc2ccc(CCC(=O)O)cc2)n1 | 10.1021/jm2005699 | ||
| 25149901 | 186662 | 1 | None | 61 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 250 | 3 | 1 | 1 | 3.1 | O=C(O)CCc1ccc(C#Cc2ccccc2)cc1 | 10.1021/jm8010178 | ||
| CHEMBL488384 | 186662 | 1 | None | 61 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 250 | 3 | 1 | 1 | 3.1 | O=C(O)CCc1ccc(C#Cc2ccccc2)cc1 | 10.1021/jm8010178 | ||
| 46231488 | 199319 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 327 | 4 | 1 | 4 | 4.0 | Cc1cc(C)cc(Oc2ccc(CC3SC(=O)NC3=O)cc2)c1 | 10.1016/j.bmcl.2009.10.052 | ||
| CHEMBL590699 | 199319 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 327 | 4 | 1 | 4 | 4.0 | Cc1cc(C)cc(Oc2ccc(CC3SC(=O)NC3=O)cc2)c1 | 10.1016/j.bmcl.2009.10.052 | ||
| 90644299 | 111939 | 0 | None | -5 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 379 | 7 | 1 | 3 | 5.4 | Cc1cccc(C)c1-c1cccc(COc2ccc(C(F)CC(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL3288357 | 111939 | 0 | None | -5 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 379 | 7 | 1 | 3 | 5.4 | Cc1cccc(C)c1-c1cccc(COc2ccc(C(F)CC(=O)O)cn2)c1 | 10.1016/j.bmcl.2014.04.065 | ||
| 127029850 | 138713 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 449 | 6 | 1 | 5 | 5.7 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(c1)OCC2CC(=O)O | 10.1016/j.ejmech.2016.02.040 | ||
| CHEMBL3780211 | 138713 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 449 | 6 | 1 | 5 | 5.7 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(c1)OCC2CC(=O)O | 10.1016/j.ejmech.2016.02.040 | ||
| 127047531 | 139696 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 427 | 10 | 1 | 5 | 5.5 | CCCOc1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(-c2c(C)noc2C)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| CHEMBL3798213 | 139696 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 427 | 10 | 1 | 5 | 5.5 | CCCOc1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(-c2c(C)noc2C)c1 | 10.1016/j.ejmech.2016.03.054 | ||
| 57325840 | 74075 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 460 | 10 | 1 | 4 | 5.8 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)CC(C(=O)O)C4)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022578 | 74075 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 460 | 10 | 1 | 4 | 5.8 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)CC(C(=O)O)C4)c2)c(C)c1 | 10.1021/jm2012968 | ||
| 58218655 | 156141 | 0 | None | 2 | 2 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 341 | 6 | 1 | 4 | 3.9 | CO[C@H]1C[C@@H](CC(=O)O)N(c2ccc(Oc3ccccc3C)cc2)C1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4063889 | 156141 | 0 | None | 2 | 2 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 341 | 6 | 1 | 4 | 3.9 | CO[C@H]1C[C@@H](CC(=O)O)N(c2ccc(Oc3ccccc3C)cc2)C1 | 10.1021/acs.jmedchem.6b01559 | ||
| 145957072 | 162250 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 506 | 8 | 1 | 5 | 5.0 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4cccc(F)c4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| CHEMBL4163958 | 162250 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 506 | 8 | 1 | 5 | 5.0 | CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCN(c4cccc(F)c4)CC3)s2)cc1 | 10.1016/j.ejmech.2018.04.023 | ||
| 24825509 | 87917 | 0 | None | 29 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | O=C(O)CCc1ccc(NCc2ccc(Oc3ccccc3)cc2)cc1 | 10.1021/jm300215x | ||
| CHEMBL234057 | 87917 | 0 | None | 29 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | O=C(O)CCc1ccc(NCc2ccc(Oc3ccccc3)cc2)cc1 | 10.1021/jm300215x | ||
| 145967558 | 164808 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 398 | 8 | 1 | 5 | 3.9 | O=C(O)CS(=O)(=O)c1ccc(OCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.ejmech.2017.07.001 | ||
| CHEMBL4218763 | 164808 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 398 | 8 | 1 | 5 | 3.9 | O=C(O)CS(=O)(=O)c1ccc(OCc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.ejmech.2017.07.001 | ||
| 853224 | 94546 | 11 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 348 | 6 | 1 | 6 | 4.2 | O=C(O)CSc1nnc(SCc2cccc3ccccc23)s1 | 10.1021/jm7012425 | ||
| CHEMBL251963 | 94546 | 11 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 348 | 6 | 1 | 6 | 4.2 | O=C(O)CSc1nnc(SCc2cccc3ccccc23)s1 | 10.1021/jm7012425 | ||
| 58172984 | 122646 | 2 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 398 | 9 | 1 | 4 | 5.1 | CCOC(CC(=O)O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1OC | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604039 | 122646 | 2 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 398 | 9 | 1 | 4 | 5.1 | CCOC(CC(=O)O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1OC | 10.1016/j.bmc.2015.07.028 | ||
| 54581632 | 62120 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 388 | 6 | 2 | 3 | 4.5 | O=C(O)C(Cc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1)C(=O)O | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777858 | 62120 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 388 | 6 | 2 | 3 | 4.5 | O=C(O)C(Cc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1)C(=O)O | 10.1016/j.bmcl.2011.03.114 | ||
| 146314522 | 180696 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 495 | 12 | 2 | 5 | 5.7 | COc1ccc(CCC(C)(C)O)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL4755717 | 180696 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 495 | 12 | 2 | 5 | 5.7 | COc1ccc(CCC(C)(C)O)c(N2CCC(COc3cccc(C(CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 44571477 | 183918 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 350 | 9 | 3 | 5 | 4.6 | CCCCc1c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c1O | 10.1016/j.bmcl.2008.10.085 | ||
| CHEMBL481542 | 183918 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 350 | 9 | 3 | 5 | 4.6 | CCCCc1c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c1O | 10.1016/j.bmcl.2008.10.085 | ||
| 70522117 | 86528 | 1 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 236 | 2 | 1 | 1 | 2.7 | O=C(O)Cc1ccc(C#Cc2ccccc2)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315556 | 86528 | 1 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 236 | 2 | 1 | 1 | 2.7 | O=C(O)Cc1ccc(C#Cc2ccccc2)cc1 | 10.1021/jm301470a | ||
| 44571477 | 183918 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 350 | 9 | 3 | 5 | 4.6 | CCCCc1c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c1O | 10.1016/j.bmcl.2008.10.085 | ||
| CHEMBL481542 | 183918 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 350 | 9 | 3 | 5 | 4.6 | CCCCc1c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c1O | 10.1016/j.bmcl.2008.10.085 | ||
| 25098573 | 2727 | 8 | None | -8 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 376 | 10 | 1 | 4 | 4.7 | OC(=O)CCCc1ccc(cc1)OCCN(c1ccccn1)c1ccccc1 | 10.1021/jm300215x | ||
| 5587 | 2727 | 8 | None | -8 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 376 | 10 | 1 | 4 | 4.7 | OC(=O)CCCc1ccc(cc1)OCCN(c1ccccn1)c1ccccc1 | 10.1021/jm300215x | ||
| CHEMBL463785 | 2727 | 8 | None | -8 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 376 | 10 | 1 | 4 | 4.7 | OC(=O)CCCc1ccc(cc1)OCCN(c1ccccn1)c1ccccc1 | 10.1021/jm300215x | ||
| 58172978 | 122645 | 2 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 402 | 8 | 1 | 3 | 5.8 | CCOC(CC(=O)O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1Cl | 10.1016/j.bmc.2015.07.028 | ||
| CHEMBL3604038 | 122645 | 2 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 402 | 8 | 1 | 3 | 5.8 | CCOC(CC(=O)O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1Cl | 10.1016/j.bmc.2015.07.028 | ||
| 145982071 | 166452 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 410 | 6 | 1 | 4 | 3.8 | O=C(O)CCc1ccc(OCC2COc3cc(Br)ccc3O2)cc1F | 10.1016/j.bmc.2018.10.019 | ||
| CHEMBL4278249 | 166452 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 410 | 6 | 1 | 4 | 3.8 | O=C(O)CCc1ccc(OCC2COc3cc(Br)ccc3O2)cc1F | 10.1016/j.bmc.2018.10.019 | ||
| 54583581 | 62130 | 0 | None | 2 | 2 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 307 | 5 | 1 | 5 | 2.7 | CC#CC(CC(=O)O)c1ccc(Oc2nccnc2C#N)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777868 | 62130 | 0 | None | 2 | 2 | Mouse | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 307 | 5 | 1 | 5 | 2.7 | CC#CC(CC(=O)O)c1ccc(Oc2nccnc2C#N)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 12002185 | 75804 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 513 | 12 | 2 | 5 | 5.6 | CCS(=O)(=O)CCOc1cc(C)c(-c2cccc(CNc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048625 | 75804 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 513 | 12 | 2 | 5 | 5.6 | CCS(=O)(=O)CCOc1cc(C)c(-c2cccc(CNc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| 1050 | 1889 | 94 | None | 1 | 3 | Rat | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1016/j.bmcl.2014.04.065 | ||
| 11595431 | 1889 | 94 | None | 1 | 3 | Rat | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1016/j.bmcl.2014.04.065 | ||
| CHEMBL207881 | 1889 | 94 | None | 1 | 3 | Rat | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1016/j.bmcl.2014.04.065 | ||
| 85970906 | 137753 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 389 | 6 | 1 | 4 | 4.8 | O=C1NC(=O)C(Cc2ccc(OCc3cccc(-c4ccccc4)c3)cc2)S1 | 10.1016/j.ejmech.2015.12.049 | ||
| CHEMBL3759467 | 137753 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 389 | 6 | 1 | 4 | 4.8 | O=C1NC(=O)C(Cc2ccc(OCc3cccc(-c4ccccc4)c3)cc2)S1 | 10.1016/j.ejmech.2015.12.049 | ||
| 44591693 | 184211 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 419 | 6 | 1 | 2 | 5.8 | CCC(CC)CN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2009.03.082 | ||
| CHEMBL483546 | 184211 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 419 | 6 | 1 | 2 | 5.8 | CCC(CC)CN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2009.03.082 | ||
| 44591612 | 184500 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 421 | 6 | 1 | 3 | 5.4 | CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(O[C@H]2CC[C@@H](C)CC2)cc1 | 10.1016/j.bmcl.2009.03.082 | ||
| CHEMBL484771 | 184500 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 421 | 6 | 1 | 3 | 5.4 | CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(O[C@H]2CC[C@@H](C)CC2)cc1 | 10.1016/j.bmcl.2009.03.082 | ||
| 44591719 | 184754 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 408 | 6 | 1 | 4 | 5.1 | CCC(CC)CN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1nc2ccccc2s1 | 10.1016/j.bmcl.2009.03.082 | ||
| CHEMBL485131 | 184754 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 408 | 6 | 1 | 4 | 5.1 | CCC(CC)CN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1nc2ccccc2s1 | 10.1016/j.bmcl.2009.03.082 | ||
| 127038399 | 136732 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 338 | 6 | 1 | 5 | 4.1 | CC(C)Nc1cc(COc2cccc(F)c2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3741045 | 136732 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 338 | 6 | 1 | 5 | 4.1 | CC(C)Nc1cc(COc2cccc(F)c2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 4671033 | 145337 | 9 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 339 | 5 | 1 | 3 | 4.6 | Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 | 10.1021/acs.jmedchem.6b00685 | ||
| CHEMBL3913640 | 145337 | 9 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 339 | 5 | 1 | 3 | 4.6 | Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 | 10.1021/acs.jmedchem.6b00685 | ||
| 127042700 | 136647 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 302 | 4 | 0 | 5 | 3.3 | Cc1cc(COc2ccccc2C#N)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3740222 | 136647 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 302 | 4 | 0 | 5 | 3.3 | Cc1cc(COc2ccccc2C#N)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 100502467 | 142828 | 2 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 357 | 5 | 0 | 3 | 4.4 | CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(F)cc1 | 10.1021/acs.jmedchem.6b00685 | ||
| CHEMBL3893258 | 142828 | 2 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 357 | 5 | 0 | 3 | 4.4 | CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(F)cc1 | 10.1021/acs.jmedchem.6b00685 | ||
| 44591691 | 184187 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 349 | 4 | 1 | 3 | 4.2 | CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1cc2ccccc2o1 | 10.1016/j.bmcl.2009.03.082 | ||
| CHEMBL483342 | 184187 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 349 | 4 | 1 | 3 | 4.2 | CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1cc2ccccc2o1 | 10.1016/j.bmcl.2009.03.082 | ||
| 44591613 | 184501 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 387 | 5 | 1 | 3 | 4.9 | CCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(Oc2ccccc2)cc1 | 10.1016/j.bmcl.2009.03.082 | ||
| CHEMBL484772 | 184501 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 387 | 5 | 1 | 3 | 4.9 | CCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(Oc2ccccc2)cc1 | 10.1016/j.bmcl.2009.03.082 | ||
| 127040115 | 136631 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 401 | 7 | 0 | 5 | 4.7 | Fc1ccc(OCc2cc(OCC3CCC3)nc(-c3ccccn3)n2)c(F)c1F | 10.1039/C5MD00037H | ||
| CHEMBL3740072 | 136631 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 401 | 7 | 0 | 5 | 4.7 | Fc1ccc(OCc2cc(OCC3CCC3)nc(-c3ccccn3)n2)c(F)c1F | 10.1039/C5MD00037H | ||
| 127042382 | 136551 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 311 | 5 | 0 | 5 | 3.3 | COc1cc(COc2cccc(F)c2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3739442 | 136551 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 311 | 5 | 0 | 5 | 3.3 | COc1cc(COc2cccc(F)c2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 127042380 | 136616 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 331 | 4 | 0 | 4 | 3.8 | Cc1cc(COc2c(F)cc(F)cc2F)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3739963 | 136616 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 331 | 4 | 0 | 4 | 3.8 | Cc1cc(COc2c(F)cc(F)cc2F)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 674995 | 142979 | 14 | None | -3 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 343 | 5 | 1 | 3 | 4.4 | O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1 | 10.1021/acs.jmedchem.6b00685 | ||
| CHEMBL3894632 | 142979 | 14 | None | -3 | 2 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 343 | 5 | 1 | 3 | 4.4 | O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1 | 10.1021/acs.jmedchem.6b00685 | ||
| 44591692 | 184210 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 405 | 5 | 1 | 2 | 5.4 | CC[C@H](C)CN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2009.03.082 | ||
| CHEMBL483545 | 184210 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 405 | 5 | 1 | 2 | 5.4 | CC[C@H](C)CN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2009.03.082 | ||
| 44591651 | 184680 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 373 | 4 | 1 | 3 | 4.5 | CN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(Oc2ccccc2)cc1 | 10.1016/j.bmcl.2009.03.082 | ||
| CHEMBL485025 | 184680 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 373 | 4 | 1 | 3 | 4.5 | CN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(Oc2ccccc2)cc1 | 10.1016/j.bmcl.2009.03.082 | ||
| 126961699 | 136655 | 0 | None | -2 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 3.9 | CC1(C#N)CN(c2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)C1 | 10.1039/C5MD00037H | ||
| CHEMBL3740291 | 136655 | 0 | None | -2 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 411 | 5 | 0 | 6 | 3.9 | CC1(C#N)CN(c2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)C1 | 10.1039/C5MD00037H | ||
| 127042378 | 136875 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 331 | 4 | 0 | 4 | 3.8 | Cc1cc(COc2c(F)ccc(F)c2F)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3742333 | 136875 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 331 | 4 | 0 | 4 | 3.8 | Cc1cc(COc2c(F)ccc(F)c2F)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 127041066 | 136881 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 324 | 5 | 0 | 5 | 3.3 | CN(C)c1cc(COc2cccc(F)c2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3742371 | 136881 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 324 | 5 | 0 | 5 | 3.3 | CN(C)c1cc(COc2cccc(F)c2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 134134846 | 144214 | 0 | None | 1 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 337 | 3 | 0 | 3 | 4.2 | O=S1(=O)c2ccccc2CN1c1cccc(Oc2ccccc2)c1 | 10.1021/acs.jmedchem.6b00685 | ||
| CHEMBL3904654 | 144214 | 0 | None | 1 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 337 | 3 | 0 | 3 | 4.2 | O=S1(=O)c2ccccc2CN1c1cccc(Oc2ccccc2)c1 | 10.1021/acs.jmedchem.6b00685 | ||
| 127040434 | 136698 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 307 | 5 | 0 | 5 | 3.4 | COc1ccccc1OCc1cc(C)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3740758 | 136698 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 307 | 5 | 0 | 5 | 3.4 | COc1ccccc1OCc1cc(C)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 127040748 | 136706 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 307 | 5 | 0 | 5 | 3.4 | COc1cccc(OCc2cc(C)nc(-c3ccccn3)n2)c1 | 10.1039/C5MD00037H | ||
| CHEMBL3740835 | 136706 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 307 | 5 | 0 | 5 | 3.4 | COc1cccc(OCc2cc(C)nc(-c3ccccn3)n2)c1 | 10.1039/C5MD00037H | ||
| 134147328 | 150025 | 0 | None | -3 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 394 | 4 | 0 | 4 | 4.4 | N#CCc1cccc(Oc2cc(F)cc(N3Cc4ccccc4S3(=O)=O)c2)c1 | 10.1021/acs.jmedchem.6b00685 | ||
| CHEMBL3950610 | 150025 | 0 | None | -3 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 394 | 4 | 0 | 4 | 4.4 | N#CCc1cccc(Oc2cc(F)cc(N3Cc4ccccc4S3(=O)=O)c2)c1 | 10.1021/acs.jmedchem.6b00685 | ||
| 44591628 | 184665 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 429 | 6 | 1 | 3 | 5.9 | CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(Oc2cc(C)cc(C)c2)cc1 | 10.1016/j.bmcl.2009.03.082 | ||
| CHEMBL485006 | 184665 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 429 | 6 | 1 | 3 | 5.9 | CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(Oc2cc(C)cc(C)c2)cc1 | 10.1016/j.bmcl.2009.03.082 | ||
| 44244518 | 184887 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 377 | 5 | 1 | 3 | 4.8 | CC[C@H](C)CN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1cc2ccccc2o1 | 10.1016/j.bmcl.2009.03.082 | ||
| CHEMBL485328 | 184887 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 377 | 5 | 1 | 3 | 4.8 | CC[C@H](C)CN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1cc2ccccc2o1 | 10.1016/j.bmcl.2009.03.082 | ||
| 25272661 | 184761 | 1 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 339 | 5 | 1 | 3 | 3.5 | CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1 | 10.1016/j.bmcl.2009.03.082 | ||
| CHEMBL485146 | 184761 | 1 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 339 | 5 | 1 | 3 | 3.5 | CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1 | 10.1016/j.bmcl.2009.03.082 | ||
| 44591690 | 184254 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 343 | 4 | 1 | 2 | 4.1 | CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1cccc(Cl)c1 | 10.1016/j.bmcl.2009.03.082 | ||
| CHEMBL483937 | 184254 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 343 | 4 | 1 | 2 | 4.1 | CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1cccc(Cl)c1 | 10.1016/j.bmcl.2009.03.082 | ||
| 67134965 | 150982 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 369 | 4 | 0 | 3 | 4.1 | O=S1(=O)c2ccccc2CN1c1cc(F)cc(OCc2ccccc2)c1 | 10.1021/acs.jmedchem.6b00685 | ||
| CHEMBL3958418 | 150982 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 369 | 4 | 0 | 3 | 4.1 | O=S1(=O)c2ccccc2CN1c1cc(F)cc(OCc2ccccc2)c1 | 10.1021/acs.jmedchem.6b00685 | ||
| 127038400 | 136851 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 400 | 5 | 0 | 5 | 4.4 | CC1(C)CN(c2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)C1 | 10.1039/C5MD00037H | ||
| CHEMBL3742135 | 136851 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 400 | 5 | 0 | 5 | 4.4 | CC1(C)CN(c2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)C1 | 10.1039/C5MD00037H | ||
| 5332902 | 136577 | 4 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 288 | 4 | 1 | 4 | 3.9 | Cc1cc(N/N=C/c2ccccc2)nc(-c2ccccc2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3739652 | 136577 | 4 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 288 | 4 | 1 | 4 | 3.9 | Cc1cc(N/N=C/c2ccccc2)nc(-c2ccccc2)n1 | 10.1039/C5MD00037H | ||
| 127040096 | 136587 | 0 | None | -1 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 331 | 4 | 0 | 4 | 3.8 | Cc1cc(COc2ccc(F)c(F)c2F)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3739712 | 136587 | 0 | None | -1 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 331 | 4 | 0 | 4 | 3.8 | Cc1cc(COc2ccc(F)c(F)c2F)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 127040433 | 136767 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 311 | 4 | 0 | 4 | 4.1 | Cc1cc(COc2ccc(Cl)cc2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3741358 | 136767 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 311 | 4 | 0 | 4 | 4.1 | Cc1cc(COc2ccc(Cl)cc2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 127042383 | 136834 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 325 | 6 | 0 | 5 | 3.7 | CCOc1cc(COc2cccc(F)c2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3741974 | 136834 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 325 | 6 | 0 | 5 | 3.7 | CCOc1cc(COc2cccc(F)c2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 127042701 | 136724 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 302 | 4 | 0 | 5 | 3.3 | Cc1cc(COc2cccc(C#N)c2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3740984 | 136724 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 302 | 4 | 0 | 5 | 3.3 | Cc1cc(COc2cccc(C#N)c2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 134154953 | 151252 | 0 | None | -7 | 2 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 369 | 3 | 0 | 3 | 4.6 | Cc1cccc(Oc2cc(F)cc(N3Cc4ccccc4S3(=O)=O)c2)c1 | 10.1021/acs.jmedchem.6b00685 | ||
| CHEMBL3960369 | 151252 | 0 | None | -7 | 2 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 369 | 3 | 0 | 3 | 4.6 | Cc1cccc(Oc2cc(F)cc(N3Cc4ccccc4S3(=O)=O)c2)c1 | 10.1021/acs.jmedchem.6b00685 | ||
| 805130 | 95009 | 13 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 348 | 6 | 1 | 4 | 4.3 | O=C(NCc1cccc(Oc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm7012425 | ||
| CHEMBL255074 | 95009 | 13 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 348 | 6 | 1 | 4 | 4.3 | O=C(NCc1cccc(Oc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm7012425 | ||
| 134138099 | 147797 | 0 | None | -4 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 369 | 3 | 0 | 3 | 4.6 | Cc1ccc(Oc2cc(F)cc(N3Cc4ccccc4S3(=O)=O)c2)cc1 | 10.1021/acs.jmedchem.6b00685 | ||
| CHEMBL3932897 | 147797 | 0 | None | -4 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 369 | 3 | 0 | 3 | 4.6 | Cc1ccc(Oc2cc(F)cc(N3Cc4ccccc4S3(=O)=O)c2)cc1 | 10.1021/acs.jmedchem.6b00685 | ||
| 44591630 | 191460 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 470 | 6 | 1 | 4 | 5.7 | CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 | 10.1016/j.bmcl.2009.03.082 | ||
| CHEMBL519358 | 191460 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 470 | 6 | 1 | 4 | 5.7 | CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 | 10.1016/j.bmcl.2009.03.082 | ||
| 44591629 | 184666 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 429 | 6 | 1 | 3 | 5.9 | CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(Oc2ccc(C)c(C)c2)cc1 | 10.1016/j.bmcl.2009.03.082 | ||
| CHEMBL485007 | 184666 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 429 | 6 | 1 | 3 | 5.9 | CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(Oc2ccc(C)c(C)c2)cc1 | 10.1016/j.bmcl.2009.03.082 | ||
| 127040388 | 136731 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 311 | 4 | 0 | 4 | 4.1 | Cc1cc(COc2ccccc2Cl)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3741030 | 136731 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 311 | 4 | 0 | 4 | 4.1 | Cc1cc(COc2ccccc2Cl)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 127040116 | 136772 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 403 | 7 | 0 | 6 | 3.6 | Fc1ccc(OCc2cc(OCC3COC3)nc(-c3ccccn3)n2)c(F)c1F | 10.1039/C5MD00037H | ||
| CHEMBL3741385 | 136772 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 403 | 7 | 0 | 6 | 3.6 | Fc1ccc(OCc2cc(OCC3COC3)nc(-c3ccccn3)n2)c(F)c1F | 10.1039/C5MD00037H | ||
| 127040723 | 136824 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 388 | 5 | 1 | 6 | 2.7 | OC1CN(c2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)C1 | 10.1039/C5MD00037H | ||
| CHEMBL3741899 | 136824 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 388 | 5 | 1 | 6 | 2.7 | OC1CN(c2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)C1 | 10.1039/C5MD00037H | ||
| 127042702 | 136805 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 302 | 4 | 0 | 5 | 3.3 | Cc1cc(COc2ccc(C#N)cc2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3741704 | 136805 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 302 | 4 | 0 | 5 | 3.3 | Cc1cc(COc2ccc(C#N)cc2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 134141650 | 146674 | 0 | None | 1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 380 | 3 | 0 | 4 | 4.2 | N#Cc1cccc(Oc2cc(F)cc(N3Cc4ccccc4S3(=O)=O)c2)c1 | 10.1021/acs.jmedchem.6b00685 | ||
| CHEMBL3923955 | 146674 | 0 | None | 1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 380 | 3 | 0 | 4 | 4.2 | N#Cc1cccc(Oc2cc(F)cc(N3Cc4ccccc4S3(=O)=O)c2)c1 | 10.1021/acs.jmedchem.6b00685 | ||
| 134145778 | 149323 | 0 | None | -13 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 355 | 3 | 0 | 3 | 4.3 | O=S1(=O)c2ccccc2CN1c1cc(F)cc(Oc2ccccc2)c1 | 10.1021/acs.jmedchem.6b00685 | ||
| CHEMBL3945213 | 149323 | 0 | None | -13 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 355 | 3 | 0 | 3 | 4.3 | O=S1(=O)c2ccccc2CN1c1cc(F)cc(Oc2ccccc2)c1 | 10.1021/acs.jmedchem.6b00685 | ||
| 127040118 | 136564 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 442 | 8 | 0 | 7 | 3.8 | N#CCC1(COc2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)COC1 | 10.1039/C5MD00037H | ||
| CHEMBL3739522 | 136564 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 442 | 8 | 0 | 7 | 3.8 | N#CCC1(COc2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)COC1 | 10.1039/C5MD00037H | ||
| 127039708 | 136638 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 311 | 4 | 0 | 4 | 4.1 | Cc1cc(COc2cccc(Cl)c2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3740168 | 136638 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 311 | 4 | 0 | 4 | 4.1 | Cc1cc(COc2cccc(Cl)c2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 127040059 | 136656 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 295 | 4 | 0 | 4 | 3.6 | Cc1cc(COc2ccccc2F)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3740298 | 136656 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 295 | 4 | 0 | 4 | 3.6 | Cc1cc(COc2ccccc2F)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 127042381 | 136674 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 331 | 4 | 0 | 4 | 3.8 | Cc1cc(COc2cc(F)c(F)c(F)c2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3740515 | 136674 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 331 | 4 | 0 | 4 | 3.8 | Cc1cc(COc2cc(F)c(F)c(F)c2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 127042379 | 136715 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 331 | 4 | 0 | 4 | 3.8 | Cc1cc(COc2cc(F)c(F)cc2F)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3740906 | 136715 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 331 | 4 | 0 | 4 | 3.8 | Cc1cc(COc2cc(F)c(F)cc2F)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 127038708 | 136740 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 313 | 4 | 0 | 4 | 3.7 | Cc1cc(COc2ccc(F)cc2F)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3741109 | 136740 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 313 | 4 | 0 | 4 | 3.7 | Cc1cc(COc2ccc(F)cc2F)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 127040094 | 136754 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 313 | 4 | 0 | 4 | 3.7 | Cc1cc(COc2cccc(F)c2F)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3741230 | 136754 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 313 | 4 | 0 | 4 | 3.7 | Cc1cc(COc2cccc(F)c2F)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 44591652 | 191571 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 413 | 6 | 1 | 3 | 5.3 | O=C(O)[C@@H]1c2ccccc2C(=O)N(CC2CC2)[C@H]1c1ccc(Oc2ccccc2)cc1 | 10.1016/j.bmcl.2009.03.082 | ||
| CHEMBL519525 | 191571 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 413 | 6 | 1 | 3 | 5.3 | O=C(O)[C@@H]1c2ccccc2C(=O)N(CC2CC2)[C@H]1c1ccc(Oc2ccccc2)cc1 | 10.1016/j.bmcl.2009.03.082 | ||
| 134153067 | 152232 | 0 | None | -16 | 2 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 369 | 3 | 0 | 3 | 4.6 | Cc1ccccc1Oc1cc(F)cc(N2Cc3ccccc3S2(=O)=O)c1 | 10.1021/acs.jmedchem.6b00685 | ||
| CHEMBL3969073 | 152232 | 0 | None | -16 | 2 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 369 | 3 | 0 | 3 | 4.6 | Cc1ccccc1Oc1cc(F)cc(N2Cc3ccccc3S2(=O)=O)c1 | 10.1021/acs.jmedchem.6b00685 | ||
| 127038401 | 136759 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 414 | 5 | 0 | 6 | 3.5 | Fc1ccc(OCc2cc(N3CC4(CCO4)C3)nc(-c3ccccn3)n2)c(F)c1F | 10.1039/C5MD00037H | ||
| CHEMBL3741297 | 136759 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 414 | 5 | 0 | 6 | 3.5 | Fc1ccc(OCc2cc(N3CC4(CCO4)C3)nc(-c3ccccn3)n2)c(F)c1F | 10.1039/C5MD00037H | ||
| 127040095 | 136790 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 313 | 4 | 0 | 4 | 3.7 | Cc1cc(COc2ccc(F)c(F)c2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3741570 | 136790 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 313 | 4 | 0 | 4 | 3.7 | Cc1cc(COc2ccc(F)c(F)c2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 127039385 | 136792 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 433 | 8 | 0 | 7 | 3.3 | COC1(COc2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)COC1 | 10.1039/C5MD00037H | ||
| CHEMBL3741582 | 136792 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 433 | 8 | 0 | 7 | 3.3 | COC1(COc2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)COC1 | 10.1039/C5MD00037H | ||
| 127040097 | 136828 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 331 | 4 | 0 | 4 | 3.8 | Cc1cc(COc2cc(F)cc(F)c2F)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3741919 | 136828 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 331 | 4 | 0 | 4 | 3.8 | Cc1cc(COc2cc(F)cc(F)c2F)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 2233248 | 168839 | 9 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 334 | 5 | 1 | 4 | 4.6 | O=C(Nc1ccccc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 | 10.1021/jm7012425 | ||
| CHEMBL438164 | 168839 | 9 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 334 | 5 | 1 | 4 | 4.6 | O=C(Nc1ccccc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 | 10.1021/jm7012425 | ||
| 134152545 | 153453 | 0 | None | 3 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 380 | 3 | 0 | 4 | 4.2 | N#Cc1ccc(Oc2cc(F)cc(N3Cc4ccccc4S3(=O)=O)c2)cc1 | 10.1021/acs.jmedchem.6b00685 | ||
| CHEMBL3979588 | 153453 | 0 | None | 3 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 380 | 3 | 0 | 4 | 4.2 | N#Cc1ccc(Oc2cc(F)cc(N3Cc4ccccc4S3(=O)=O)c2)cc1 | 10.1021/acs.jmedchem.6b00685 | ||
| 127041988 | 136809 | 0 | None | -1 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 421 | 7 | 0 | 6 | 3.7 | Fc1ccc(OCc2cc(OCC3(F)COC3)nc(-c3ccccn3)n2)c(F)c1F | 10.1039/C5MD00037H | ||
| CHEMBL3741735 | 136809 | 0 | None | -1 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 421 | 7 | 0 | 6 | 3.7 | Fc1ccc(OCc2cc(OCC3(F)COC3)nc(-c3ccccn3)n2)c(F)c1F | 10.1039/C5MD00037H | ||
| 58137077 | 136588 | 1 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 348 | 5 | 0 | 6 | 3.0 | c1ccc(OCc2cc(N3CCOCC3)nc(-c3ccccn3)n2)cc1 | 10.1039/C5MD00037H | ||
| CHEMBL3739715 | 136588 | 1 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 348 | 5 | 0 | 6 | 3.0 | c1ccc(OCc2cc(N3CCOCC3)nc(-c3ccccn3)n2)cc1 | 10.1039/C5MD00037H | ||
| 127040093 | 136659 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 295 | 4 | 0 | 4 | 3.6 | Cc1cc(COc2ccc(F)cc2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3740314 | 136659 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 295 | 4 | 0 | 4 | 3.6 | Cc1cc(COc2ccc(F)cc2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 127042713 | 136822 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 324 | 6 | 1 | 5 | 3.7 | CCNc1cc(COc2cccc(F)c2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3741858 | 136822 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 324 | 6 | 1 | 5 | 3.7 | CCNc1cc(COc2cccc(F)c2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 127038402 | 136766 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 478 | 7 | 0 | 7 | 3.4 | CC1(CS(C)(=O)=O)CN(c2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)C1 | 10.1039/C5MD00037H | ||
| CHEMBL3741353 | 136766 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 478 | 7 | 0 | 7 | 3.4 | CC1(CS(C)(=O)=O)CN(c2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)C1 | 10.1039/C5MD00037H | ||
| 127038403 | 136765 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 415 | 6 | 0 | 5 | 4.5 | Fc1ccc(OCc2cc(OCC(F)(F)F)nc(-c3ccccn3)n2)c(F)c1F | 10.1039/C5MD00037H | ||
| CHEMBL3741349 | 136765 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 415 | 6 | 0 | 5 | 4.5 | Fc1ccc(OCc2cc(OCC(F)(F)F)nc(-c3ccccn3)n2)c(F)c1F | 10.1039/C5MD00037H | ||
| 127040117 | 136680 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 417 | 7 | 0 | 6 | 4.0 | CC1(COc2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)COC1 | 10.1039/C5MD00037H | ||
| CHEMBL3740598 | 136680 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 417 | 7 | 0 | 6 | 4.0 | CC1(COc2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)COC1 | 10.1039/C5MD00037H | ||
| 127040432 | 136675 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 277 | 4 | 0 | 4 | 3.4 | Cc1cc(COc2ccccc2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3740555 | 136675 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 277 | 4 | 0 | 4 | 3.4 | Cc1cc(COc2ccccc2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 127039748 | 136701 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 295 | 4 | 0 | 4 | 3.6 | Cc1cc(COc2cccc(F)c2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3740771 | 136701 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 295 | 4 | 0 | 4 | 3.6 | Cc1cc(COc2cccc(F)c2)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 127040749 | 136558 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 307 | 5 | 0 | 5 | 3.4 | COc1ccc(OCc2cc(C)nc(-c3ccccn3)n2)cc1 | 10.1039/C5MD00037H | ||
| CHEMBL3739500 | 136558 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 307 | 5 | 0 | 5 | 3.4 | COc1ccc(OCc2cc(C)nc(-c3ccccn3)n2)cc1 | 10.1039/C5MD00037H | ||
| 2843133 | 147622 | 51 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 307 | 6 | 1 | 2 | 4.0 | CCCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 | 10.1021/acs.jmedchem.6b00685 | ||
| CHEMBL3931570 | 147622 | 51 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 307 | 6 | 1 | 2 | 4.0 | CCCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 | 10.1021/acs.jmedchem.6b00685 | ||
| 44591689 | 184253 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 377 | 4 | 1 | 2 | 4.8 | CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2009.03.082 | ||
| CHEMBL483936 | 184253 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 377 | 4 | 1 | 2 | 4.8 | CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2009.03.082 | ||
| 44591627 | 184898 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 415 | 7 | 1 | 3 | 5.0 | CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(OCc2ccccc2)cc1 | 10.1016/j.bmcl.2009.03.082 | ||
| CHEMBL485335 | 184898 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 415 | 7 | 1 | 3 | 5.0 | CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(OCc2ccccc2)cc1 | 10.1016/j.bmcl.2009.03.082 | ||
| 5280933 | 178196 | 64 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 278 | 13 | 1 | 1 | 5.7 | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O | None | ||
| CHEMBL464982 | 178196 | 64 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 278 | 13 | 1 | 1 | 5.7 | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O | None | ||
| 1049 | 362 | 75 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | None | ||
| 4618 | 362 | 75 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | None | ||
| 5280934 | 362 | 75 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | None | ||
| CHEMBL8739 | 362 | 75 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | None | ||
| DB00132 | 362 | 75 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | None | ||
| 1056 | 3346 | 116 | None | 15 | 10 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | None | ||
| 2405 | 3346 | 116 | None | 15 | 10 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | None | ||
| 77999 | 3346 | 116 | None | 15 | 10 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | None | ||
| CHEMBL121 | 3346 | 116 | None | 15 | 10 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | None | ||
| DB00412 | 3346 | 116 | None | 15 | 10 | Human | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | None | ||
| 1052 | 2307 | 85 | None | -5 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | None | ||
| 3323 | 2307 | 85 | None | -5 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | None | ||
| 5280450 | 2307 | 85 | None | -5 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | None | ||
| CHEMBL267476 | 2307 | 85 | None | -5 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | None | ||
| DB14104 | 2307 | 85 | None | -5 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | None | ||
| 1054 | 2896 | 85 | None | 1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | None | ||
| 3400 | 2896 | 85 | None | 1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | None | ||
| 445639 | 2896 | 85 | None | 1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | None | ||
| CHEMBL8659 | 2896 | 85 | None | 1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | None | ||
| 1051 | 1443 | 63 | None | -14 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | None | ||
| 4289 | 1443 | 63 | None | -14 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | None | ||
| 445580 | 1443 | 63 | None | -14 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | None | ||
| 57417355 | 1443 | 63 | None | -14 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | None | ||
| CHEMBL367149 | 1443 | 63 | None | -14 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | None | ||
| DB03756 | 1443 | 63 | None | -14 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | None | ||
| 3893 | 2274 | 98 | None | -1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | None | ||
| 4642 | 2274 | 98 | None | -1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | None | ||
| 5534 | 2274 | 98 | None | -1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | None | ||
| CHEMBL108766 | 2274 | 98 | None | -1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | None | ||
| DB03017 | 2274 | 98 | None | -1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | None | ||
| 10043 | 3567 | 0 | None | -2 | 2 | Human | 3.0 | pEC50 | = | 3.0 | Functional | Guide to Pharmacology | 206 | 6 | 1 | 1 | 3.0 | CCCCCc1cccc(c1)CC(=O)O | 29454750 | ||
| 24749700 | 3567 | 0 | None | -2 | 2 | Human | 3.0 | pEC50 | = | 3.0 | Functional | Guide to Pharmacology | 206 | 6 | 1 | 1 | 3.0 | CCCCCc1cccc(c1)CC(=O)O | 29454750 | ||
| CHEMBL4297635 | 3567 | 0 | None | -2 | 2 | Human | 3.0 | pEC50 | = | 3.0 | Functional | Guide to Pharmacology | 206 | 6 | 1 | 1 | 3.0 | CCCCCc1cccc(c1)CC(=O)O | 29454750 | ||
| DB15447 | 3567 | 0 | None | -2 | 2 | Human | 3.0 | pEC50 | = | 3.0 | Functional | Guide to Pharmacology | 206 | 6 | 1 | 1 | 3.0 | CCCCCc1cccc(c1)CC(=O)O | 29454750 | ||
| 1055 | 2972 | 105 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12496284 | ||
| 1055 | 2972 | 105 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12565875 | ||
| 1055 | 2972 | 105 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12629551 | ||
| 135369651 | 2972 | 105 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12496284 | ||
| 135369651 | 2972 | 105 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12565875 | ||
| 135369651 | 2972 | 105 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12629551 | ||
| 985 | 2972 | 105 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12496284 | ||
| 985 | 2972 | 105 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12565875 | ||
| 985 | 2972 | 105 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12629551 | ||
| CHEMBL82293 | 2972 | 105 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12496284 | ||
| CHEMBL82293 | 2972 | 105 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12565875 | ||
| CHEMBL82293 | 2972 | 105 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12629551 | ||
| DB03796 | 2972 | 105 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12496284 | ||
| DB03796 | 2972 | 105 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12565875 | ||
| DB03796 | 2972 | 105 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12629551 | ||
| 1054 | 2896 | 85 | None | 1 | 5 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 12496284 | ||
| 1054 | 2896 | 85 | None | 1 | 5 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 12565875 | ||
| 1054 | 2896 | 85 | None | 1 | 5 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 12629551 | ||
| 3400 | 2896 | 85 | None | 1 | 5 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 12496284 | ||
| 3400 | 2896 | 85 | None | 1 | 5 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 12565875 | ||
| 3400 | 2896 | 85 | None | 1 | 5 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 12629551 | ||
| 445639 | 2896 | 85 | None | 1 | 5 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 12496284 | ||
| 445639 | 2896 | 85 | None | 1 | 5 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 12565875 | ||
| 445639 | 2896 | 85 | None | 1 | 5 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 12629551 | ||
| CHEMBL8659 | 2896 | 85 | None | 1 | 5 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 12496284 | ||
| CHEMBL8659 | 2896 | 85 | None | 1 | 5 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 12565875 | ||
| CHEMBL8659 | 2896 | 85 | None | 1 | 5 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 12629551 | ||
| 11005 | 2675 | 107 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 228 | 12 | 1 | 1 | 4.8 | CCCCCCCCCCCCCC(=O)O | 12496284 | ||
| 11005 | 2675 | 107 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 228 | 12 | 1 | 1 | 4.8 | CCCCCCCCCCCCCC(=O)O | 12565875 | ||
| 11005 | 2675 | 107 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 228 | 12 | 1 | 1 | 4.8 | CCCCCCCCCCCCCC(=O)O | 12629551 | ||
| 2806 | 2675 | 107 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 228 | 12 | 1 | 1 | 4.8 | CCCCCCCCCCCCCC(=O)O | 12496284 | ||
| 2806 | 2675 | 107 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 228 | 12 | 1 | 1 | 4.8 | CCCCCCCCCCCCCC(=O)O | 12565875 | ||
| 2806 | 2675 | 107 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 228 | 12 | 1 | 1 | 4.8 | CCCCCCCCCCCCCC(=O)O | 12629551 | ||
| CHEMBL111077 | 2675 | 107 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 228 | 12 | 1 | 1 | 4.8 | CCCCCCCCCCCCCC(=O)O | 12496284 | ||
| CHEMBL111077 | 2675 | 107 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 228 | 12 | 1 | 1 | 4.8 | CCCCCCCCCCCCCC(=O)O | 12565875 | ||
| CHEMBL111077 | 2675 | 107 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 228 | 12 | 1 | 1 | 4.8 | CCCCCCCCCCCCCC(=O)O | 12629551 | ||
| DB08231 | 2675 | 107 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 228 | 12 | 1 | 1 | 4.8 | CCCCCCCCCCCCCC(=O)O | 12496284 | ||
| DB08231 | 2675 | 107 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 228 | 12 | 1 | 1 | 4.8 | CCCCCCCCCCCCCC(=O)O | 12565875 | ||
| DB08231 | 2675 | 107 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 228 | 12 | 1 | 1 | 4.8 | CCCCCCCCCCCCCC(=O)O | 12629551 | ||
| 1052 | 2307 | 85 | None | -5 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 12496284 | ||
| 1052 | 2307 | 85 | None | -5 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 12565875 | ||
| 1052 | 2307 | 85 | None | -5 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 12629551 | ||
| 3323 | 2307 | 85 | None | -5 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 12496284 | ||
| 3323 | 2307 | 85 | None | -5 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 12565875 | ||
| 3323 | 2307 | 85 | None | -5 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 12629551 | ||
| 5280450 | 2307 | 85 | None | -5 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 12496284 | ||
| 5280450 | 2307 | 85 | None | -5 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 12565875 | ||
| 5280450 | 2307 | 85 | None | -5 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 12629551 | ||
| CHEMBL267476 | 2307 | 85 | None | -5 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 12496284 | ||
| CHEMBL267476 | 2307 | 85 | None | -5 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 12565875 | ||
| CHEMBL267476 | 2307 | 85 | None | -5 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 12629551 | ||
| DB14104 | 2307 | 85 | None | -5 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 12496284 | ||
| DB14104 | 2307 | 85 | None | -5 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 12565875 | ||
| DB14104 | 2307 | 85 | None | -5 | 4 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | 280 | 14 | 1 | 1 | 5.9 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O | 12629551 | ||
| 1049 | 362 | 75 | None | 1 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 12496284 | ||
| 1049 | 362 | 75 | None | 1 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 12565875 | ||
| 1049 | 362 | 75 | None | 1 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 12629551 | ||
| 4618 | 362 | 75 | None | 1 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 12496284 | ||
| 4618 | 362 | 75 | None | 1 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 12565875 | ||
| 4618 | 362 | 75 | None | 1 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 12629551 | ||
| 5280934 | 362 | 75 | None | 1 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 12496284 | ||
| 5280934 | 362 | 75 | None | 1 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 12565875 | ||
| 5280934 | 362 | 75 | None | 1 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 12629551 | ||
| CHEMBL8739 | 362 | 75 | None | 1 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 12496284 | ||
| CHEMBL8739 | 362 | 75 | None | 1 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 12565875 | ||
| CHEMBL8739 | 362 | 75 | None | 1 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 12629551 | ||
| DB00132 | 362 | 75 | None | 1 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 12496284 | ||
| DB00132 | 362 | 75 | None | 1 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 12565875 | ||
| DB00132 | 362 | 75 | None | 1 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | Guide to Pharmacology | 278 | 13 | 1 | 1 | 5.7 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O | 12629551 | ||
| 1051 | 1443 | 63 | None | -14 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | Guide to Pharmacology | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | 12496284 | ||
| 1051 | 1443 | 63 | None | -14 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | Guide to Pharmacology | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | 12629551 | ||
| 4289 | 1443 | 63 | None | -14 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | Guide to Pharmacology | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | 12496284 | ||
| 4289 | 1443 | 63 | None | -14 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | Guide to Pharmacology | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | 12629551 | ||
| 445580 | 1443 | 63 | None | -14 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | Guide to Pharmacology | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | 12496284 | ||
| 445580 | 1443 | 63 | None | -14 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | Guide to Pharmacology | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | 12629551 | ||
| 57417355 | 1443 | 63 | None | -14 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | Guide to Pharmacology | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | 12496284 | ||
| 57417355 | 1443 | 63 | None | -14 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | Guide to Pharmacology | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | 12629551 | ||
| CHEMBL367149 | 1443 | 63 | None | -14 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | Guide to Pharmacology | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | 12496284 | ||
| CHEMBL367149 | 1443 | 63 | None | -14 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | Guide to Pharmacology | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | 12629551 | ||
| DB03756 | 1443 | 63 | None | -14 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | Guide to Pharmacology | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | 12496284 | ||
| DB03756 | 1443 | 63 | None | -14 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | Guide to Pharmacology | 328 | 14 | 1 | 1 | 6.5 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O | 12629551 | ||
| 3367 | 1148 | 1 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | Guide to Pharmacology | 416 | 4 | 1 | 5 | 4.7 | O=C1NC(=O)C(S1)Cc1ccc(cc1C)Oc1ncc(cc1Cl)C(F)(F)F | 18477808 | ||
| 46216676 | 1148 | 1 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | Guide to Pharmacology | 416 | 4 | 1 | 5 | 4.7 | O=C1NC(=O)C(S1)Cc1ccc(cc1C)Oc1ncc(cc1Cl)C(F)(F)F | 18477808 | ||
| CHEMBL604126 | 1148 | 1 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | Guide to Pharmacology | 416 | 4 | 1 | 5 | 4.7 | O=C1NC(=O)C(S1)Cc1ccc(cc1C)Oc1ncc(cc1Cl)C(F)(F)F | 18477808 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 21752941 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 24900210 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 25043059 | ||
| 24857286 | 1611 | 72 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 25787200 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 21752941 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 24900210 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 25043059 | ||
| 6484 | 1611 | 72 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 25787200 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 21752941 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 24900210 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 25043059 | ||
| CHEMBL1829174 | 1611 | 72 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 25787200 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 21752941 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 24900210 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 25043059 | ||
| DB12491 | 1611 | 72 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 25787200 | ||
| 1050 | 1889 | 94 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | Guide to Pharmacology | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 16702987 | ||
| 11595431 | 1889 | 94 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | Guide to Pharmacology | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 16702987 | ||
| CHEMBL207881 | 1889 | 94 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | Guide to Pharmacology | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 16702987 | ||
| 25150014 | 3854 | 55 | None | 44 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 18947221 | ||
| 3952 | 3854 | 55 | None | 44 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 18947221 | ||
| CHEMBL449588 | 3854 | 55 | None | 44 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 18947221 | ||
| 10668 | 1940 | 16 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 366 | 7 | 1 | 3 | 4.8 | OC(=O)COc1ccc(cc1F)OCc1cccc(c1)c1ccccc1C | 31971610 | ||
| 139600331 | 1940 | 16 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 366 | 7 | 1 | 3 | 4.8 | OC(=O)COc1ccc(cc1F)OCc1cccc(c1)c1ccccc1C | 31971610 | ||
| CHEMBL5169614 | 1940 | 16 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 366 | 7 | 1 | 3 | 4.8 | OC(=O)COc1ccc(cc1F)OCc1cccc(c1)c1ccccc1C | 31971610 | ||
| 60195125 | 3857 | 8 | None | 4 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 499 | 12 | 2 | 5 | 5.2 | OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C | 22724451 | ||
| 9149 | 3857 | 8 | None | 4 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 499 | 12 | 2 | 5 | 5.2 | OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C | 22724451 | ||
| CHEMBL2164242 | 3857 | 8 | None | 4 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Guide to Pharmacology | 499 | 12 | 2 | 5 | 5.2 | OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C | 22724451 | ||
| 6483 | 3855 | 54 | None | 13 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 23687558 | ||
| 66553168 | 3855 | 54 | None | 13 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 23687558 | ||
| CHEMBL2386353 | 3855 | 54 | None | 13 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 23687558 | ||
| 46854655 | 394 | 47 | None | -8 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 22859723 | ||
| 6485 | 394 | 47 | None | -8 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 22859723 | ||
| CHEMBL1829173 | 394 | 47 | None | -8 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | Guide to Pharmacology | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 22859723 | ||
| 1056 | 3346 | 116 | None | 15 | 10 | Human | 5.6 | pEC50 | None | 5.6 | Functional | Guide to Pharmacology | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 12565875 | ||
| 2405 | 3346 | 116 | None | 15 | 10 | Human | 5.6 | pEC50 | None | 5.6 | Functional | Guide to Pharmacology | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 12565875 | ||
| 77999 | 3346 | 116 | None | 15 | 10 | Human | 5.6 | pEC50 | None | 5.6 | Functional | Guide to Pharmacology | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 12565875 | ||
| CHEMBL121 | 3346 | 116 | None | 15 | 10 | Human | 5.6 | pEC50 | None | 5.6 | Functional | Guide to Pharmacology | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 12565875 | ||
| DB00412 | 3346 | 116 | None | 15 | 10 | Human | 5.6 | pEC50 | None | 5.6 | Functional | Guide to Pharmacology | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 12565875 | ||
| 1053 | 2465 | 0 | None | - | 1 | Human | 5.9 | pEC50 | None | 5.9 | Functional | Guide to Pharmacology | 342 | 15 | 2 | 2 | 5.9 | OC(=O)CC(CCCCCCCCCCC(CC(=O)O)(C)C)(C)C | 12565875 | ||
| 121871 | 2465 | 0 | None | - | 1 | Human | 5.9 | pEC50 | None | 5.9 | Functional | Guide to Pharmacology | 342 | 15 | 2 | 2 | 5.9 | OC(=O)CC(CCCCCCCCCCC(CC(=O)O)(C)C)(C)C | 12565875 | ||
| CHEMBL63829 | 2465 | 0 | None | - | 1 | Human | 5.9 | pEC50 | None | 5.9 | Functional | Guide to Pharmacology | 342 | 15 | 2 | 2 | 5.9 | OC(=O)CC(CCCCCCCCCCC(CC(=O)O)(C)C)(C)C | 12565875 | ||
| 1057 | 1881 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | Guide to Pharmacology | 520 | 10 | 0 | 9 | 4.6 | CCOc1ncc(cn1)Cc1cn(c2ccc(cc2)C(=O)OCC)c(nc1=O)SCc1ccc(cc1)F | 16702987 | ||
| 1057 | 1881 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | Guide to Pharmacology | 520 | 10 | 0 | 9 | 4.6 | CCOc1ncc(cn1)Cc1cn(c2ccc(cc2)C(=O)OCC)c(nc1=O)SCc1ccc(cc1)F | 17200419 | ||
| 11692123 | 1881 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | Guide to Pharmacology | 520 | 10 | 0 | 9 | 4.6 | CCOc1ncc(cn1)Cc1cn(c2ccc(cc2)C(=O)OCC)c(nc1=O)SCc1ccc(cc1)F | 16702987 | ||
| 11692123 | 1881 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | Guide to Pharmacology | 520 | 10 | 0 | 9 | 4.6 | CCOc1ncc(cn1)Cc1cn(c2ccc(cc2)C(=O)OCC)c(nc1=O)SCc1ccc(cc1)F | 17200419 | ||
| CHEMBL4303679 | 1881 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | Guide to Pharmacology | 520 | 10 | 0 | 9 | 4.6 | CCOc1ncc(cn1)Cc1cn(c2ccc(cc2)C(=O)OCC)c(nc1=O)SCc1ccc(cc1)F | 16702987 | ||
| CHEMBL4303679 | 1881 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | Guide to Pharmacology | 520 | 10 | 0 | 9 | 4.6 | CCOc1ncc(cn1)Cc1cn(c2ccc(cc2)C(=O)OCC)c(nc1=O)SCc1ccc(cc1)F | 17200419 | ||
| 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 |
| 162673875 | 182962 | 0 | None | - | 1 | Mouse | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | 505 | 8 | 1 | 3 | 6.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4793371 | 182962 | 0 | None | - | 1 | Mouse | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | 505 | 8 | 1 | 3 | 6.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 52936292 | 182086 | 27 | None | - | 1 | Mouse | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 497 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4782004 | 182086 | 27 | None | - | 1 | Mouse | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 497 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 67087100 | 182574 | 0 | None | - | 1 | Mouse | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 576 | 8 | 1 | 4 | 6.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C(F)(F)F)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4788206 | 182574 | 0 | None | - | 1 | Mouse | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 576 | 8 | 1 | 4 | 6.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C(F)(F)F)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 162673875 | 182962 | 0 | None | - | 1 | Rat | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 505 | 8 | 1 | 3 | 6.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4793371 | 182962 | 0 | None | - | 1 | Rat | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 505 | 8 | 1 | 3 | 6.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 67087041 | 182347 | 0 | None | - | 1 | Mouse | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 542 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3c(Cl)cccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4785057 | 182347 | 0 | None | - | 1 | Mouse | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 542 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3c(Cl)cccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 67087100 | 182574 | 0 | None | - | 1 | Rat | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 576 | 8 | 1 | 4 | 6.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C(F)(F)F)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4788206 | 182574 | 0 | None | - | 1 | Rat | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 576 | 8 | 1 | 4 | 6.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C(F)(F)F)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 67087095 | 183351 | 0 | None | - | 1 | Mouse | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 570 | 9 | 1 | 4 | 7.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(c3ccccc3)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4797858 | 183351 | 0 | None | - | 1 | Mouse | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 570 | 9 | 1 | 4 | 7.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(c3ccccc3)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 68194465 | 183282 | 0 | None | - | 1 | Mouse | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 511 | 8 | 1 | 4 | 6.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4797124 | 183282 | 0 | None | - | 1 | Mouse | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 511 | 8 | 1 | 4 | 6.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 134139282 | 146467 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 501 | 11 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)CC(F)(F)F)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3922381 | 146467 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 501 | 11 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)CC(F)(F)F)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| 162668378 | 182483 | 0 | None | - | 1 | Mouse | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 559 | 8 | 1 | 3 | 7.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4787010 | 182483 | 0 | None | - | 1 | Mouse | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 559 | 8 | 1 | 3 | 7.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 162674654 | 183431 | 0 | None | - | 1 | Mouse | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 525 | 8 | 1 | 3 | 7.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4798993 | 183431 | 0 | None | - | 1 | Mouse | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 525 | 8 | 1 | 3 | 7.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 67087095 | 183351 | 0 | None | - | 1 | Rat | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 570 | 9 | 1 | 4 | 7.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(c3ccccc3)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4797858 | 183351 | 0 | None | - | 1 | Rat | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 570 | 9 | 1 | 4 | 7.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(c3ccccc3)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 51049992 | 145594 | 5 | None | - | 1 | Mouse | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL3915620 | 145594 | 5 | None | - | 1 | Mouse | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 67087246 | 182853 | 5 | None | - | 1 | Mouse | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 493 | 8 | 1 | 3 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4791842 | 182853 | 5 | None | - | 1 | Mouse | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 493 | 8 | 1 | 3 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 67087041 | 182347 | 0 | None | - | 1 | Rat | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 542 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3c(Cl)cccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4785057 | 182347 | 0 | None | - | 1 | Rat | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 542 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3c(Cl)cccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 52936292 | 182086 | 27 | None | - | 1 | Rat | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 497 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4782004 | 182086 | 27 | None | - | 1 | Rat | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 497 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 71257551 | 150569 | 24 | None | - | 1 | Mouse | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 475 | 9 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCCc4cccc(OC)c43)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL3955132 | 150569 | 24 | None | - | 1 | Mouse | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 475 | 9 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCCc4cccc(OC)c43)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 162674654 | 183431 | 0 | None | - | 1 | Rat | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 525 | 8 | 1 | 3 | 7.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4798993 | 183431 | 0 | None | - | 1 | Rat | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 525 | 8 | 1 | 3 | 7.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 162668378 | 182483 | 0 | None | - | 1 | Rat | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 559 | 8 | 1 | 3 | 7.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4787010 | 182483 | 0 | None | - | 1 | Rat | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 559 | 8 | 1 | 3 | 7.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 68194465 | 183282 | 0 | None | - | 1 | Rat | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 511 | 8 | 1 | 4 | 6.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4797124 | 183282 | 0 | None | - | 1 | Rat | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 511 | 8 | 1 | 4 | 6.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 162668378 | 182483 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 559 | 8 | 1 | 3 | 7.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4787010 | 182483 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 559 | 8 | 1 | 3 | 7.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 68194743 | 182524 | 12 | None | - | 1 | Mouse | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 499 | 8 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4787498 | 182524 | 12 | None | - | 1 | Mouse | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 499 | 8 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 162674998 | 183367 | 0 | None | - | 1 | Mouse | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(F)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4798023 | 183367 | 0 | None | - | 1 | Mouse | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(F)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 162676881 | 183561 | 0 | None | - | 1 | Mouse | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 536 | 9 | 1 | 4 | 6.6 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C(C)C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4800563 | 183561 | 0 | None | - | 1 | Mouse | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 536 | 9 | 1 | 4 | 6.6 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C(C)C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 45254027 | 90276 | 10 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 514 | 7 | 1 | 3 | 7.7 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CC4)C[C@H]3C(=O)O)cc2[C@@H]2CCCC2(C)C)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL2385460 | 90276 | 10 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 514 | 7 | 1 | 3 | 7.7 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CC4)C[C@H]3C(=O)O)cc2[C@@H]2CCCC2(C)C)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| 67087246 | 182853 | 5 | None | - | 1 | Rat | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 493 | 8 | 1 | 3 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4791842 | 182853 | 5 | None | - | 1 | Rat | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 493 | 8 | 1 | 3 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 162674998 | 183367 | 0 | None | - | 1 | Rat | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(F)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4798023 | 183367 | 0 | None | - | 1 | Rat | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(F)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 162664735 | 182062 | 0 | None | - | 1 | Mouse | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 521 | 9 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(OC)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4781604 | 182062 | 0 | None | - | 1 | Mouse | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 521 | 9 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(OC)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 134136015 | 144182 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 475 | 12 | 1 | 4 | 6.6 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)CC(C)C)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3904378 | 144182 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 475 | 12 | 1 | 4 | 6.6 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)CC(C)C)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| 46854655 | 394 | 47 | None | - | 1 | Mouse | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00892 | ||
| 6485 | 394 | 47 | None | - | 1 | Mouse | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL1829173 | 394 | 47 | None | - | 1 | Mouse | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00892 | ||
| 67087095 | 183351 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 570 | 9 | 1 | 4 | 7.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(c3ccccc3)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4797858 | 183351 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 570 | 9 | 1 | 4 | 7.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(c3ccccc3)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 68194743 | 182524 | 12 | None | - | 1 | Rat | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 499 | 8 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4787498 | 182524 | 12 | None | - | 1 | Rat | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 499 | 8 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 162673875 | 182962 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 505 | 8 | 1 | 3 | 6.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4793371 | 182962 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 505 | 8 | 1 | 3 | 6.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 24857286 | 1611 | 72 | None | 10 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acsmedchemlett.6b00331 | ||
| 6484 | 1611 | 72 | None | 10 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL1829174 | 1611 | 72 | None | 10 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acsmedchemlett.6b00331 | ||
| DB12491 | 1611 | 72 | None | 10 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acsmedchemlett.6b00331 | ||
| 134134433 | 143208 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 510 | 12 | 1 | 5 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccncc3)Cc3ccsc3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3896509 | 143208 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 510 | 12 | 1 | 5 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccncc3)Cc3ccsc3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| 134150797 | 151961 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 459 | 11 | 1 | 4 | 6.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CC3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3966739 | 151961 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 459 | 11 | 1 | 4 | 6.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CC3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| 134137203 | 142814 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 523 | 12 | 1 | 5 | 5.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)S(=O)(=O)C3CC3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3893141 | 142814 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 523 | 12 | 1 | 5 | 5.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)S(=O)(=O)C3CC3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| 162664735 | 182062 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 521 | 9 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(OC)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4781604 | 182062 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 521 | 9 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(OC)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 68194159 | 183037 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2sc(CN3CCC4(C=Cc5ccccc54)CC3)nc2C)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4794233 | 183037 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2sc(CN3CCC4(C=Cc5ccccc54)CC3)nc2C)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 67087160 | 182320 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 538 | 9 | 1 | 5 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(OC)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4784555 | 182320 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 538 | 9 | 1 | 5 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(OC)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL5271504 | 193663 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 544 | 13 | 1 | 7 | 5.0 | CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](OCCCOC)C[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1 | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL5285139 | 194257 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 486 | 8 | 2 | 7 | 4.4 | Cc1cc(OCc2nc(N)nc(NCCc3cc(Cl)ccc3Cl)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| 11961321 | 111772 | 4 | None | - | 0 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 460 | 8 | 1 | 4 | 6.2 | Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3287569 | 111772 | 4 | None | - | 0 | Human | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 460 | 8 | 1 | 4 | 6.2 | Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| 127033514 | 138755 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 381 | 6 | 1 | 5 | 4.6 | Cc1nc(-c2ccccc2)sc1COc1ccc2c(c1)OCC2CC(=O)O | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL3780725 | 138755 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 381 | 6 | 1 | 5 | 4.6 | Cc1nc(-c2ccccc2)sc1COc1ccc2c(c1)OCC2CC(=O)O | 10.1016/j.ejmech.2018.12.069 | ||
| 46854655 | 394 | 47 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/ml400501x | ||
| 6485 | 394 | 47 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/ml400501x | ||
| CHEMBL1829173 | 394 | 47 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/ml400501x | ||
| 156010524 | 177092 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 424 | 7 | 1 | 4 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4cccc(C)c4)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4633625 | 177092 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 424 | 7 | 1 | 4 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4cccc(C)c4)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| 57705838 | 111217 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 508 | 10 | 1 | 3 | 8.1 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2[C@H](F)C(C)(C)C)c1 | 10.1021/ml4005123 | ||
| CHEMBL3265139 | 111217 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 508 | 10 | 1 | 3 | 8.1 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2[C@H](F)C(C)(C)C)c1 | 10.1021/ml4005123 | ||
| 58379987 | 90280 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 547 | 7 | 1 | 4 | 7.6 | COc1cc(-c2ccc(COc3ccc4c(c3F)[C@]3(CCC4)C[C@H]3C(=O)O)cc2[C@@H]2CCCC2(C)C)c(F)cn1 | 10.1021/ml300427u | ||
| CHEMBL2385464 | 90280 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 547 | 7 | 1 | 4 | 7.6 | COc1cc(-c2ccc(COc3ccc4c(c3F)[C@]3(CCC4)C[C@H]3C(=O)O)cc2[C@@H]2CCCC2(C)C)c(F)cn1 | 10.1021/ml300427u | ||
| 127033821 | 138791 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 415 | 6 | 1 | 5 | 5.3 | Cc1nc(-c2ccc(Cl)cc2)sc1COc1ccc2c(c1)OCC2CC(=O)O | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL3781162 | 138791 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 415 | 6 | 1 | 5 | 5.3 | Cc1nc(-c2ccc(Cl)cc2)sc1COc1ccc2c(c1)OCC2CC(=O)O | 10.1016/j.ejmech.2018.12.069 | ||
| 90655860 | 111222 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 518 | 10 | 1 | 5 | 7.1 | COc1cc(-c2ccc(COc3cc([C@@H](CC(=O)O)C4CC4)ccn3)cc2[C@@H]2CCCC2(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| CHEMBL3265144 | 111222 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 518 | 10 | 1 | 5 | 7.1 | COc1cc(-c2ccc(COc3cc([C@@H](CC(=O)O)C4CC4)ccn3)cc2[C@@H]2CCCC2(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| 91809187 | 147099 | 13 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 439 | 7 | 1 | 5 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cccc4C)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL3927519 | 147099 | 13 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 439 | 7 | 1 | 5 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cccc4C)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 67087160 | 182320 | 0 | None | - | 1 | Mouse | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 538 | 9 | 1 | 5 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(OC)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4784555 | 182320 | 0 | None | - | 1 | Mouse | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 538 | 9 | 1 | 5 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(OC)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 68194449 | 182790 | 0 | None | - | 1 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 498 | 8 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cnc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4790921 | 182790 | 0 | None | - | 1 | Rat | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 498 | 8 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cnc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 46854655 | 394 | 47 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00892 | ||
| 6485 | 394 | 47 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL1829173 | 394 | 47 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00892 | ||
| 67087246 | 182853 | 5 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 493 | 8 | 1 | 3 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4791842 | 182853 | 5 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 493 | 8 | 1 | 3 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 46941175 | 61782 | 26 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 345 | 7 | 2 | 2 | 5.3 | Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL1773261 | 61782 | 26 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 345 | 7 | 2 | 2 | 5.3 | Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/acs.jmedchem.6b00202 | ||
| 58230598 | 183095 | 0 | None | - | 1 | Mouse | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 487 | 8 | 1 | 3 | 6.5 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1Cl | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4794904 | 183095 | 0 | None | - | 1 | Mouse | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 487 | 8 | 1 | 3 | 6.5 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1Cl | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL5266348 | 193453 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 564 | 11 | 1 | 7 | 5.8 | CCOc1ccc(F)c(N2CCC(Oc3ccc(N4C[C@H](Oc5cccc(OC)c5)C[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL5267060 | 193485 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 473 | 7 | 1 | 6 | 4.7 | COc1cc(N2CC[C@@H](Oc3ccc(N4CC[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1 | 10.1016/j.bmc.2023.117273 | ||
| 132606863 | 157799 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL4083365 | 157799 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL5290549 | 194478 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 436 | 8 | 2 | 7 | 3.3 | Cc1cc(OCc2nc(N)nc(NCCc3ccccc3F)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5290651 | 194483 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 432 | 8 | 2 | 7 | 3.4 | Cc1cc(OCc2nc(N)nc(NCCc3ccccc3C)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5277986 | 193937 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 438 | 6 | 2 | 7 | 4.2 | Cc1ccc(Nc2nc(N)nc(COc3cccc(N4CCCC4=O)c3C)n2)cc1Cl | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5281518 | 194091 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 409 | 5 | 2 | 8 | 3.8 | Cc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4cccc(Cl)c4)n3)ccc12 | 10.1021/acsmedchemlett.2c00160 | ||
| 155530111 | 171469 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 391 | 7 | 1 | 5 | 4.4 | Cc1nc(-c2ccc(F)cc2)sc1COc1ccc(OCC(=O)O)c(F)c1 | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL4463798 | 171469 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 391 | 7 | 1 | 5 | 4.4 | Cc1nc(-c2ccc(F)cc2)sc1COc1ccc(OCC(=O)O)c(F)c1 | 10.1016/j.ejmech.2018.12.069 | ||
| 127036748 | 137492 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 496 | 9 | 1 | 5 | 6.2 | Cn1ccnc1[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccccc3OC(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3754173 | 137492 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 496 | 9 | 1 | 5 | 6.2 | Cn1ccnc1[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccccc3OC(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| 127029850 | 138713 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 449 | 6 | 1 | 5 | 5.7 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(c1)OCC2CC(=O)O | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL3780211 | 138713 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 449 | 6 | 1 | 5 | 5.7 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(c1)OCC2CC(=O)O | 10.1016/j.ejmech.2018.12.069 | ||
| 57707214 | 111219 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 534 | 12 | 1 | 4 | 8.2 | CCO[C@@H](c1cc(COc2cccc([C@@H](CC(=O)O)C3CC3)c2)ccc1-c1cc(OC)ccc1F)C(C)(C)C | 10.1021/ml4005123 | ||
| CHEMBL3265141 | 111219 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 534 | 12 | 1 | 4 | 8.2 | CCO[C@@H](c1cc(COc2cccc([C@@H](CC(=O)O)C3CC3)c2)ccc1-c1cc(OC)ccc1F)C(C)(C)C | 10.1021/ml4005123 | ||
| 1056 | 3346 | 116 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1016/j.bmcl.2014.07.043 | ||
| 2405 | 3346 | 116 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1016/j.bmcl.2014.07.043 | ||
| 77999 | 3346 | 116 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1016/j.bmcl.2014.07.043 | ||
| CHEMBL121 | 3346 | 116 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1016/j.bmcl.2014.07.043 | ||
| DB00412 | 3346 | 116 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 357 | 7 | 1 | 6 | 2.5 | O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C | 10.1016/j.bmcl.2014.07.043 | ||
| 134138359 | 147596 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 419 | 10 | 2 | 4 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CNCc3ccsc3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3931296 | 147596 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 419 | 10 | 2 | 4 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CNCc3ccsc3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| 15604310 | 111774 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 462 | 8 | 1 | 6 | 5.0 | Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nnnn3C)cc2)c1 | 10.1021/ml400501x | ||
| CHEMBL3287571 | 111774 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 462 | 8 | 1 | 6 | 5.0 | Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nnnn3C)cc2)c1 | 10.1021/ml400501x | ||
| 134155821 | 150903 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 463 | 12 | 2 | 5 | 4.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(CCO)Cc3ccsc3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3957744 | 150903 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 463 | 12 | 2 | 5 | 4.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(CCO)Cc3ccsc3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| 24857286 | 1611 | 72 | None | 10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| 6484 | 1611 | 72 | None | 10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL1829174 | 1611 | 72 | None | 10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| DB12491 | 1611 | 72 | None | 10 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| 57705806 | 111187 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 515 | 10 | 1 | 4 | 7.6 | COc1cc(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| CHEMBL3264817 | 111187 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 515 | 10 | 1 | 4 | 7.6 | COc1cc(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| 162666840 | 182430 | 0 | None | - | 1 | Mouse | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4786299 | 182430 | 0 | None | - | 1 | Mouse | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| 132578495 | 182862 | 2 | None | - | 1 | Rat | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4792027 | 182862 | 2 | None | - | 1 | Rat | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 59132613 | 137237 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 483 | 8 | 1 | 4 | 7.0 | O=C(O)CC(c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1)c1nccs1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3752026 | 137237 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 483 | 8 | 1 | 4 | 7.0 | O=C(O)CC(c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1)c1nccs1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL5284294 | 194226 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 556 | 11 | 1 | 8 | 5.0 | COc1cc(N2CC[C@@H](Oc3ccc(N4C[C@H](OCCCC#N)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1 | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL5285235 | 194264 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 507 | 8 | 1 | 7 | 4.1 | COc1cc(N2CC[C@@H](Oc3ccc(N4C[C@H](F)[C@@H](OC)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1 | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL5269688 | 193581 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 486 | 8 | 2 | 7 | 4.1 | Cc1cc(OCc2nc(N)nc(NCCc3cccc(C(F)(F)F)c3)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5278791 | 193972 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 486 | 8 | 2 | 7 | 4.1 | Cc1cc(OCc2nc(N)nc(NCCc3ccccc3C(F)(F)F)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5288405 | 194400 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 448 | 9 | 2 | 8 | 3.1 | COc1cccc(CCNc2nc(N)nc(COc3cc(C)cc(N4CCCC4=O)c3)n2)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5092999 | 215377 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | None | None | None | COCCCS(=O)(=O)c1cc(C)c(-c2ccc(F)c3c2CC[C@H]3Oc2ccc3c(c2)OC[C@H]3CC(=O)O)c(C)c1 | 10.6019/CHEMBL5058643 | ||||
| 156021111 | 178028 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 410 | 7 | 1 | 4 | 5.2 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4ccccc4)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4647211 | 178028 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 410 | 7 | 1 | 4 | 5.2 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4ccccc4)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| 59590781 | 111225 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 517 | 8 | 1 | 4 | 7.4 | COc1cc(-c2ccc(COc3ccc4c(c3)[C@@](C)(CC(=O)O)CC4)cc2[C@@H]2CCCC2(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| CHEMBL3265147 | 111225 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 517 | 8 | 1 | 4 | 7.4 | COc1cc(-c2ccc(COc3ccc4c(c3)[C@@](C)(CC(=O)O)CC4)cc2[C@@H]2CCCC2(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| CHEMBL5289774 | 194457 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 375 | 5 | 2 | 8 | 3.2 | Cc1ccc(Nc2nc(N)nc(COc3ccc4ccc(=O)oc4c3)n2)cc1 | 10.1021/acsmedchemlett.2c00160 | ||
| 46854655 | 394 | 47 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1016/j.bmcl.2015.11.050 | ||
| 6485 | 394 | 47 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL1829173 | 394 | 47 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1016/j.bmcl.2015.11.050 | ||
| 58758896 | 137527 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 480 | 8 | 1 | 4 | 6.3 | Cn1ccnc1C(CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3754486 | 137527 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 480 | 8 | 1 | 4 | 6.3 | Cn1ccnc1C(CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL5276368 | 193872 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 510 | 7 | 1 | 5 | 5.5 | COc1ccc(F)c(N2CC[C@H](Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)C[C@@H]2C)c1 | 10.1016/j.bmc.2023.117273 | ||
| 90176463 | 114234 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 528 | 8 | 1 | 4 | 7.0 | CCC1C(C(F)(F)F)=NN(c2ccc(Cc3ccc(-c4cc(OC)ccc4F)cc3C)cc2)C1CC(=O)O | 10.1021/ml5002757 | ||
| CHEMBL3330549 | 114234 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 528 | 8 | 1 | 4 | 7.0 | CCC1C(C(F)(F)F)=NN(c2ccc(Cc3ccc(-c4cc(OC)ccc4F)cc3C)cc2)C1CC(=O)O | 10.1021/ml5002757 | ||
| CHEMBL5285406 | 194274 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 417 | 5 | 2 | 9 | 3.2 | Cc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4ccc5c(c4)COC5)n3)ccc12 | 10.1021/acsmedchemlett.2c00160 | ||
| 155523655 | 170879 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 357 | 7 | 1 | 5 | 3.8 | Cc1nc(-c2ccccc2)oc1COc1ccc(OCC(=O)O)c(F)c1 | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL4454699 | 170879 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 357 | 7 | 1 | 5 | 3.8 | Cc1nc(-c2ccccc2)oc1COc1ccc(OCC(=O)O)c(F)c1 | 10.1016/j.ejmech.2018.12.069 | ||
| 134465785 | 176087 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 426 | 9 | 1 | 3 | 6.2 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@@H](CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4591657 | 176087 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 426 | 9 | 1 | 3 | 6.2 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@@H](CC(=O)O)C4CC4)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 73356502 | 90284 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 486 | 8 | 1 | 3 | 7.5 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H]4C[C@H]4C(=O)O)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| CHEMBL2385471 | 90284 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 486 | 8 | 1 | 3 | 7.5 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H]4C[C@H]4C(=O)O)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| 91809187 | 147099 | 13 | None | - | 1 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 439 | 7 | 1 | 5 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cccc4C)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL3927519 | 147099 | 13 | None | - | 1 | Rat | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 439 | 7 | 1 | 5 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cccc4C)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL5285988 | 194302 | 0 | None | - | 0 | Mouse | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 561 | 12 | 1 | 8 | 4.8 | COCCCO[C@H]1CN(c2ccc(O[C@@H]3CCN(c4cc(OC)ncc4Cl)C[C@H]3C)cc2)[C@@H](CC(=O)O)[C@@H]1C | 10.1016/j.bmc.2023.117273 | ||
| 60195125 | 3857 | 8 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 499 | 12 | 2 | 5 | 5.2 | OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00202 | ||
| 9149 | 3857 | 8 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 499 | 12 | 2 | 5 | 5.2 | OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL2164242 | 3857 | 8 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 499 | 12 | 2 | 5 | 5.2 | OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL5290885 | 194494 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 423 | 5 | 2 | 8 | 4.2 | Cc1ccc(Nc2nc(N)nc(COc3ccc4c(C)cc(=O)oc4c3)n2)cc1Cl | 10.1021/acsmedchemlett.2c00160 | ||
| 134134768 | 144302 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 516 | 11 | 1 | 5 | 6.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CCN(C)CC3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3905435 | 144302 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 516 | 11 | 1 | 5 | 6.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CCN(C)CC3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL5265829 | 193432 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 484 | 8 | 1 | 5 | 5.6 | CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4CC(C)(C)C[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1 | 10.1016/j.bmc.2023.117273 | ||
| 130253300 | 159087 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 428 | 7 | 1 | 5 | 4.3 | COc1ccc(F)c(N2CCC(Oc3ccc(N4CCC[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL4097617 | 159087 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 428 | 7 | 1 | 5 | 4.3 | COc1ccc(F)c(N2CCC(Oc3ccc(N4CCC[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL5273939 | 193763 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 466 | 8 | 2 | 7 | 4.1 | Cc1cc(OCc2nc(N)nc(NCCc3ccc(Cl)c(C)c3)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| 162644059 | 181800 | 0 | None | - | 1 | Rat | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 440 | 8 | 1 | 7 | 4.6 | O=C(O)C[C@@H](c1ccc(OCc2ccc3nc(-c4ccccc4)nn3c2)cc1)c1ccon1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4778264 | 181800 | 0 | None | - | 1 | Rat | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 440 | 8 | 1 | 7 | 4.6 | O=C(O)C[C@@H](c1ccc(OCc2ccc3nc(-c4ccccc4)nn3c2)cc1)c1ccon1 | 10.1021/acs.jmedchem.6b00892 | ||
| 57706451 | 111221 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 520 | 11 | 1 | 4 | 7.8 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2[C@@H](OC)C(C)(C)C)c1 | 10.1021/ml4005123 | ||
| CHEMBL3265143 | 111221 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 520 | 11 | 1 | 4 | 7.8 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2[C@@H](OC)C(C)(C)C)c1 | 10.1021/ml4005123 | ||
| CHEMBL5278350 | 193953 | 0 | None | - | 0 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 442 | 6 | 2 | 7 | 4.0 | Cc1ccc(Nc2nc(N)nc(COc3cccc(N4CCCC4=O)c3F)n2)cc1Cl | 10.1021/acsmedchemlett.2c00160 | ||
| 71816761 | 90281 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 498 | 7 | 1 | 3 | 7.3 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@@H]3[C@@H](C(=O)O)[C@@H]3C4)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| CHEMBL2385466 | 90281 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 498 | 7 | 1 | 3 | 7.3 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@@H]3[C@@H](C(=O)O)[C@@H]3C4)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| 57706220 | 111218 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 520 | 11 | 1 | 4 | 7.8 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2[C@H](OC)C(C)(C)C)c1 | 10.1021/ml4005123 | ||
| CHEMBL3265140 | 111218 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 520 | 11 | 1 | 4 | 7.8 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2[C@H](OC)C(C)(C)C)c1 | 10.1021/ml4005123 | ||
| 155563228 | 175282 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 441 | 7 | 1 | 5 | 5.3 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(OCC(=O)O)c(F)c1 | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL4573403 | 175282 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 441 | 7 | 1 | 5 | 5.3 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(OCC(=O)O)c(F)c1 | 10.1016/j.ejmech.2018.12.069 | ||
| 118129974 | 157170 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 575 | 12 | 1 | 8 | 5.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cc(OCCCS(C)(=O)=O)cc4C)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4075819 | 157170 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 575 | 12 | 1 | 8 | 5.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cc(OCCCS(C)(=O)=O)cc4C)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 90655861 | 111223 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 506 | 10 | 1 | 5 | 7.1 | CC[C@H](CC(=O)O)c1ccnc(OCc2ccc(-c3cc(OC)ncc3F)c([C@@H]3CCCC3(C)C)c2)c1 | 10.1021/ml4005123 | ||
| CHEMBL3265145 | 111223 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 506 | 10 | 1 | 5 | 7.1 | CC[C@H](CC(=O)O)c1ccnc(OCc2ccc(-c3cc(OC)ncc3F)c([C@@H]3CCCC3(C)C)c2)c1 | 10.1021/ml4005123 | ||
| 58380381 | 90286 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 526 | 7 | 1 | 3 | 8.0 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CCC4)C[C@H]3C(=O)O)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| CHEMBL2385473 | 90286 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 526 | 7 | 1 | 3 | 8.0 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CCC4)C[C@H]3C(=O)O)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| CHEMBL5288340 | 194394 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 482 | 9 | 2 | 8 | 3.9 | COC(CNc1nc(N)nc(COc2cc(C)cc(N3CCCC3=O)c2)n1)c1cccc(Cl)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| 156017497 | 177832 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 424 | 7 | 1 | 4 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4cccc(C)c4)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4644239 | 177832 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 424 | 7 | 1 | 4 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4cccc(C)c4)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| 46854655 | 394 | 47 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| 6485 | 394 | 47 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL1829173 | 394 | 47 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| 127029851 | 138837 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 411 | 7 | 1 | 6 | 4.7 | COc1ccc(-c2nc(C)c(COc3ccc4c(c3)OCC4CC(=O)O)s2)cc1 | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL3781779 | 138837 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 411 | 7 | 1 | 6 | 4.7 | COc1ccc(-c2nc(C)c(COc3ccc4c(c3)OCC4CC(=O)O)s2)cc1 | 10.1016/j.ejmech.2018.12.069 | ||
| 155547595 | 173641 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 387 | 7 | 1 | 5 | 4.6 | Cc1ccc(-c2nc(C)c(COc3ccc(OCC(=O)O)c(F)c3)s2)cc1 | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL4534812 | 173641 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 387 | 7 | 1 | 5 | 4.6 | Cc1ccc(-c2nc(C)c(COc3ccc(OCC(=O)O)c(F)c3)s2)cc1 | 10.1016/j.ejmech.2018.12.069 | ||
| 156013146 | 177443 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 454 | 9 | 1 | 5 | 5.6 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccccc4OCC)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4639050 | 177443 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 454 | 9 | 1 | 5 | 5.6 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccccc4OCC)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| 162667620 | 182533 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4787628 | 182533 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| 134137248 | 143072 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 473 | 12 | 1 | 4 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)CC3CC3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3895442 | 143072 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 473 | 12 | 1 | 4 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)CC3CC3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| 134138706 | 147873 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 551 | 11 | 1 | 6 | 5.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CCS(=O)(=O)CC3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3933446 | 147873 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 551 | 11 | 1 | 6 | 5.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CCS(=O)(=O)CC3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL5266881 | 193476 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 458 | 6 | 2 | 7 | 4.5 | Cc1ccc(Nc2nc(N)nc(COc3cc(Cl)cc(N4CCCC4=O)c3)n2)cc1Cl | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5273250 | 193730 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 437 | 6 | 2 | 8 | 4.4 | CCc1ccc(Nc2nc(N)nc(COc3ccc4c(C)cc(=O)oc4c3)n2)cc1Cl | 10.1021/acsmedchemlett.2c00160 | ||
| 58230552 | 182195 | 0 | None | - | 1 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 471 | 8 | 1 | 3 | 6.0 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4783190 | 182195 | 0 | None | - | 1 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 471 | 8 | 1 | 3 | 6.0 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| 57706778 | 80768 | 29 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| CHEMBL2152070 | 80768 | 29 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| CHEMBL5282952 | 194155 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 530 | 13 | 1 | 7 | 4.7 | CCOc1ccc(F)c(N2CCC(Oc3ccc(N4C[C@H](OCCCOC)C[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL5268182 | 193526 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 454 | 8 | 2 | 7 | 3.4 | Cc1cc(OCc2nc(N)nc(NCCc3cc(F)ccc3F)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5278391 | 193955 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 486 | 8 | 2 | 7 | 4.4 | Cc1cc(OCc2nc(N)nc(NCCc3ccc(Cl)c(Cl)c3)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| 57706778 | 80768 | 29 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/ml4005123 | ||
| CHEMBL2152070 | 80768 | 29 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/ml4005123 | ||
| 86288852 | 111227 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 522 | 11 | 1 | 6 | 6.6 | COc1cc(-c2ccc(COc3cc([C@@H](CC(=O)O)C4CC4)ccn3)cc2[C@H](OC)C(C)(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| CHEMBL3265149 | 111227 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 522 | 11 | 1 | 6 | 6.6 | COc1cc(-c2ccc(COc3cc([C@@H](CC(=O)O)C4CC4)ccn3)cc2[C@H](OC)C(C)(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| 118151370 | 159079 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 477 | 9 | 1 | 6 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OC(F)F)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4097527 | 159079 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 477 | 9 | 1 | 6 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OC(F)F)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 68194237 | 182182 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2nc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4783033 | 182182 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2nc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 68194449 | 182790 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 498 | 8 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cnc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4790921 | 182790 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 498 | 8 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cnc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 168298569 | 192655 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 389 | 5 | 2 | 8 | 3.5 | Cc1cccc(Nc2nc(N)nc(COc3ccc4c(C)cc(=O)oc4c3)n2)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5219055 | 192655 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 389 | 5 | 2 | 8 | 3.5 | Cc1cccc(Nc2nc(N)nc(COc3ccc4c(C)cc(=O)oc4c3)n2)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5284985 | 194251 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 389 | 5 | 2 | 8 | 3.5 | Cc1ccc(Nc2nc(N)nc(COc3ccc4c(C)cc(=O)oc4c3)n2)cc1 | 10.1021/acsmedchemlett.2c00160 | ||
| 68194159 | 183037 | 0 | None | - | 1 | Mouse | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2sc(CN3CCC4(C=Cc5ccccc54)CC3)nc2C)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4794233 | 183037 | 0 | None | - | 1 | Mouse | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2sc(CN3CCC4(C=Cc5ccccc54)CC3)nc2C)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 67087160 | 182320 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 538 | 9 | 1 | 5 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(OC)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4784555 | 182320 | 0 | None | - | 1 | Rat | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 538 | 9 | 1 | 5 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(OC)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL5281753 | 194101 | 0 | None | - | 0 | Mouse | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 558 | 13 | 1 | 7 | 5.2 | CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](OCCCOC)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1 | 10.1016/j.bmc.2023.117273 | ||
| 6483 | 3855 | 54 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| 66553168 | 3855 | 54 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL2386353 | 3855 | 54 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| 68265494 | 90283 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 512 | 7 | 1 | 3 | 7.6 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CC4)C[C@H]3C(=O)O)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| CHEMBL2385470 | 90283 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 512 | 7 | 1 | 3 | 7.6 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CC4)C[C@H]3C(=O)O)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| CHEMBL5275737 | 193845 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 486 | 9 | 1 | 6 | 4.6 | CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](OC)C[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1 | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL5277523 | 193913 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 577 | 13 | 1 | 9 | 4.3 | COCCOCO[C@H]1CN(c2ccc(O[C@@H]3CCN(c4cc(OC)ncc4Cl)C[C@H]3C)cc2)[C@@H](CC(=O)O)[C@@H]1C | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL5287383 | 194359 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 524 | 8 | 1 | 5 | 5.8 | CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1 | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL5281423 | 194088 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 442 | 6 | 2 | 7 | 4.0 | Cc1ccc(Nc2nc(N)nc(COc3cc(F)cc(N4CCCC4=O)c3)n2)cc1Cl | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5287642 | 194365 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 454 | 7 | 2 | 8 | 3.9 | COc1cc(OCc2nc(N)nc(Nc3ccc(C)c(Cl)c3)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5285988 | 194302 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 561 | 12 | 1 | 8 | 4.8 | COCCCO[C@H]1CN(c2ccc(O[C@@H]3CCN(c4cc(OC)ncc4Cl)C[C@H]3C)cc2)[C@@H](CC(=O)O)[C@@H]1C | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL5266810 | 193470 | 0 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 393 | 5 | 2 | 8 | 3.3 | Cc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4ccc(F)cc4)n3)ccc12 | 10.1021/acsmedchemlett.2c00160 | ||
| 155525700 | 171016 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 391 | 7 | 1 | 5 | 4.4 | Cc1nc(-c2cccc(F)c2)sc1COc1ccc(OCC(=O)O)c(F)c1 | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL4456869 | 171016 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 391 | 7 | 1 | 5 | 4.4 | Cc1nc(-c2cccc(F)c2)sc1COc1ccc(OCC(=O)O)c(F)c1 | 10.1016/j.ejmech.2018.12.069 | ||
| 46941175 | 61782 | 26 | None | - | 1 | Mouse | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 345 | 7 | 2 | 2 | 5.3 | Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/ml100106c | ||
| CHEMBL1773261 | 61782 | 26 | None | - | 1 | Mouse | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 345 | 7 | 2 | 2 | 5.3 | Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/ml100106c | ||
| 75204006 | 114233 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 484 | 7 | 1 | 5 | 6.4 | COc1cccc(-c2ccc(Oc3ccc(N4N=C(C(F)(F)F)CC4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/ml5002757 | ||
| CHEMBL3330548 | 114233 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 484 | 7 | 1 | 5 | 6.4 | COc1cccc(-c2ccc(Oc3ccc(N4N=C(C(F)(F)F)CC4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/ml5002757 | ||
| 68676271 | 137289 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 477 | 8 | 1 | 3 | 7.0 | O=C(O)CC(c1ccncc1)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3752557 | 137289 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 477 | 8 | 1 | 3 | 7.0 | O=C(O)CC(c1ccncc1)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| 127035472 | 137351 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 482 | 8 | 1 | 3 | 7.6 | O=C(O)CC(c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1)c1cccs1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3753088 | 137351 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 482 | 8 | 1 | 3 | 7.6 | O=C(O)CC(c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1)c1cccs1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL5278354 | 193954 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 531 | 10 | 1 | 7 | 5.1 | CCCO[C@H]1CN(c2ccc(O[C@@H]3CCN(c4cc(OC)ncc4Cl)C[C@H]3C)cc2)[C@@H](CC(=O)O)[C@@H]1C | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL5282559 | 194136 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 559 | 12 | 1 | 7 | 5.9 | CCCCCO[C@H]1CN(c2ccc(O[C@@H]3CCN(c4cc(OC)ncc4Cl)C[C@H]3C)cc2)[C@@H](CC(=O)O)[C@@H]1C | 10.1016/j.bmc.2023.117273 | ||
| 162649435 | 180016 | 0 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 288 | 6 | 1 | 2 | 3.7 | Cc1ccc(F)cc1OCc1ccc(CCC(=O)O)cc1 | 10.1016/j.bmcl.2020.127650 | ||
| CHEMBL4747554 | 180016 | 0 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 288 | 6 | 1 | 2 | 3.7 | Cc1ccc(F)cc1OCc1ccc(CCC(=O)O)cc1 | 10.1016/j.bmcl.2020.127650 | ||
| 67087173 | 182436 | 0 | None | - | 1 | Mouse | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 522 | 8 | 1 | 4 | 6.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4786335 | 182436 | 0 | None | - | 1 | Mouse | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 522 | 8 | 1 | 4 | 6.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 51049992 | 145594 | 5 | None | - | 1 | Rat | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL3915620 | 145594 | 5 | None | - | 1 | Rat | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 134140466 | 146610 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 501 | 11 | 1 | 4 | 7.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CCCCC3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3923431 | 146610 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 501 | 11 | 1 | 4 | 7.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CCCCC3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| 68194476 | 182863 | 0 | None | - | 1 | Mouse | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 481 | 8 | 1 | 4 | 6.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)o2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4792075 | 182863 | 0 | None | - | 1 | Mouse | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 481 | 8 | 1 | 4 | 6.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)o2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 162676686 | 183462 | 0 | None | - | 1 | Mouse | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 523 | 8 | 1 | 5 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4799453 | 183462 | 0 | None | - | 1 | Mouse | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 523 | 8 | 1 | 5 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 162676881 | 183561 | 0 | None | - | 1 | Rat | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 536 | 9 | 1 | 4 | 6.6 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C(C)C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4800563 | 183561 | 0 | None | - | 1 | Rat | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 536 | 9 | 1 | 4 | 6.6 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C(C)C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 134129919 | 142382 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 515 | 12 | 1 | 5 | 7.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)Cc3ccsc3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3889768 | 142382 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 515 | 12 | 1 | 5 | 7.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)Cc3ccsc3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| 46854655 | 394 | 47 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acsmedchemlett.6b00331 | ||
| 6485 | 394 | 47 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL1829173 | 394 | 47 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acsmedchemlett.6b00331 | ||
| 67087100 | 182574 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 576 | 8 | 1 | 4 | 6.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C(F)(F)F)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4788206 | 182574 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 576 | 8 | 1 | 4 | 6.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C(F)(F)F)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL5268316 | 193535 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 438 | 6 | 2 | 7 | 4.2 | Cc1cc(OCc2nc(N)nc(Nc3ccc(C)c(Cl)c3)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| 90176463 | 114234 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 528 | 8 | 1 | 4 | 7.0 | CCC1C(C(F)(F)F)=NN(c2ccc(Cc3ccc(-c4cc(OC)ccc4F)cc3C)cc2)C1CC(=O)O | 10.1021/ml5002757 | ||
| CHEMBL3330549 | 114234 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 528 | 8 | 1 | 4 | 7.0 | CCC1C(C(F)(F)F)=NN(c2ccc(Cc3ccc(-c4cc(OC)ccc4F)cc3C)cc2)C1CC(=O)O | 10.1021/ml5002757 | ||
| 134137874 | 152957 | 0 | None | - | 0 | Rat | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 461 | 11 | 1 | 4 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C(C)C)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3930086 | 152957 | 0 | None | - | 0 | Rat | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 461 | 11 | 1 | 4 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C(C)C)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3975239 | 152957 | 0 | None | - | 0 | Rat | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 461 | 11 | 1 | 4 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C(C)C)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL5283269 | 194173 | 0 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 502 | 9 | 2 | 8 | 4.0 | Cc1cc(OCc2nc(N)nc(NCCc3ccccc3OC(F)(F)F)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5274344 | 193786 | 0 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 492 | 6 | 2 | 7 | 4.9 | Cc1ccc(Nc2nc(N)nc(COc3cc(N4CCCC4=O)ccc3C(F)(F)F)n2)cc1Cl | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5269158 | 193569 | 0 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 454 | 7 | 2 | 8 | 3.9 | COc1ccc(OCc2nc(N)nc(Nc3ccc(C)c(Cl)c3)n2)cc1N1CCCC1=O | 10.1021/acsmedchemlett.2c00160 | ||
| 162656082 | 180678 | 0 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 299 | 6 | 1 | 3 | 3.3 | N#Cc1ccc(F)cc1OCc1ccc(CCC(=O)O)cc1 | 10.1016/j.bmcl.2020.127650 | ||
| CHEMBL4755578 | 180678 | 0 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 299 | 6 | 1 | 3 | 3.3 | N#Cc1ccc(F)cc1OCc1ccc(CCC(=O)O)cc1 | 10.1016/j.bmcl.2020.127650 | ||
| CHEMBL5288493 | 194407 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 403 | 5 | 2 | 8 | 3.8 | Cc1ccc(Nc2nc(N)nc(COc3ccc4c(C)cc(=O)oc4c3)n2)cc1C | 10.1021/acsmedchemlett.2c00160 | ||
| 75204360 | 157593 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 496 | 7 | 1 | 5 | 5.1 | COc1ccc(F)c(N2CCC(Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL4081072 | 157593 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 496 | 7 | 1 | 5 | 5.1 | COc1ccc(F)c(N2CCC(Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1016/j.bmc.2023.117273 | ||
| 132606863 | 157799 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL4083365 | 157799 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1016/j.bmc.2023.117273 | ||
| 127037633 | 137541 | 0 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 444 | 8 | 1 | 4 | 5.7 | Cc1cc(F)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3754659 | 137541 | 0 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 444 | 8 | 1 | 4 | 5.7 | Cc1cc(F)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| 58379893 | 90277 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 514 | 7 | 1 | 3 | 7.7 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CC4)C[C@H]3C(=O)O)cc2[C@H]2CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| CHEMBL2385461 | 90277 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 514 | 7 | 1 | 3 | 7.7 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CC4)C[C@H]3C(=O)O)cc2[C@H]2CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| 71816808 | 90285 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 500 | 8 | 1 | 3 | 7.6 | COc1ccc(F)c(-c2ccc(COc3cccc([C@]4(C)C[C@H]4C(=O)O)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| CHEMBL2385472 | 90285 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 500 | 8 | 1 | 3 | 7.6 | COc1ccc(F)c(-c2ccc(COc3cccc([C@]4(C)C[C@H]4C(=O)O)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| 118129979 | 155770 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 436 | 7 | 1 | 6 | 4.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C#N)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4059614 | 155770 | 0 | None | - | 1 | Rat | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 436 | 7 | 1 | 6 | 4.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C#N)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 6483 | 3855 | 54 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/ml4000673 | ||
| 66553168 | 3855 | 54 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/ml4000673 | ||
| CHEMBL2386353 | 3855 | 54 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/ml4000673 | ||
| CHEMBL5266488 | 193459 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 575 | 13 | 1 | 8 | 5.1 | CCOCCCO[C@H]1CN(c2ccc(O[C@@H]3CCN(c4cc(OC)ncc4Cl)C[C@H]3C)cc2)[C@@H](CC(=O)O)[C@@H]1C | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL5275101 | 193814 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 500 | 9 | 1 | 6 | 5.0 | CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@](C)(OC)C[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1 | 10.1016/j.bmc.2023.117273 | ||
| 15603739 | 137546 | 0 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 460 | 8 | 1 | 4 | 6.2 | Cc1c(Cl)cccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3754682 | 137546 | 0 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 460 | 8 | 1 | 4 | 6.2 | Cc1c(Cl)cccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL5275388 | 193827 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 415 | 5 | 2 | 8 | 3.7 | Cc1ccc(Nc2nc(N)nc(COc3ccc4c5c(c(=O)oc4c3)CCC5)n2)cc1 | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5278703 | 193966 | 0 | None | - | 0 | Human | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 438 | 6 | 2 | 7 | 4.3 | Cc1ccc(Nc2nc(N)nc(COc3cccc(N4CCCCC4=O)c3)n2)cc1Cl | 10.1021/acsmedchemlett.2c00160 | ||
| 57705939 | 111220 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 532 | 10 | 1 | 4 | 7.9 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2[C@@H]2OCCCC2(C)C)c1 | 10.1021/ml4005123 | ||
| CHEMBL3265142 | 111220 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 532 | 10 | 1 | 4 | 7.9 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2[C@@H]2OCCCC2(C)C)c1 | 10.1021/ml4005123 | ||
| 46854655 | 394 | 47 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1016/j.bmc.2016.09.004 | ||
| 6485 | 394 | 47 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1016/j.bmc.2016.09.004 | ||
| CHEMBL1829173 | 394 | 47 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1016/j.bmc.2016.09.004 | ||
| 68194127 | 183171 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 498 | 8 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ncc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4795763 | 183171 | 0 | None | - | 1 | Rat | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 498 | 8 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ncc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL5283315 | 194176 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 532 | 9 | 1 | 5 | 6.4 | CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](c5ccccc5)C[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1 | 10.1016/j.bmc.2023.117273 | ||
| 127035636 | 137250 | 0 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 490 | 9 | 1 | 6 | 4.7 | Cn1ccnc1[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccccc3S(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3752168 | 137250 | 0 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 490 | 9 | 1 | 6 | 4.7 | Cn1ccnc1[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccccc3S(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| 127036959 | 137394 | 0 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 474 | 8 | 1 | 4 | 6.5 | Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1C | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3753362 | 137394 | 0 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 474 | 8 | 1 | 4 | 6.5 | Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1C | 10.1016/j.bmcl.2015.11.050 | ||
| 156017123 | 177719 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 454 | 9 | 1 | 5 | 5.6 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4ccccc4OCC)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4642543 | 177719 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 454 | 9 | 1 | 5 | 5.6 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4ccccc4OCC)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| 51049992 | 145594 | 5 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| CHEMBL3915620 | 145594 | 5 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1016/j.bmc.2016.09.004 | ||
| 59590895 | 111228 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 521 | 9 | 1 | 5 | 6.9 | COc1cc(-c2ccc(COc3ccc4c(c3)[C@@](C)(CC(=O)O)CC4)cc2[C@H](OC)C(C)(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| CHEMBL3265150 | 111228 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 521 | 9 | 1 | 5 | 6.9 | COc1cc(-c2ccc(COc3ccc4c(c3)[C@@](C)(CC(=O)O)CC4)cc2[C@H](OC)C(C)(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| 67072752 | 86500 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 289 | 4 | 1 | 2 | 3.2 | N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/ml4000673 | ||
| CHEMBL2315528 | 86500 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 289 | 4 | 1 | 2 | 3.2 | N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/ml4000673 | ||
| CHEMBL5268389 | 193539 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 423 | 5 | 2 | 8 | 4.2 | Cc1cc(Nc2nc(N)nc(COc3ccc4c(C)cc(=O)oc4c3)n2)ccc1Cl | 10.1021/acsmedchemlett.2c00160 | ||
| 127036959 | 137394 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 474 | 8 | 1 | 4 | 6.5 | Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1C | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3753362 | 137394 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 474 | 8 | 1 | 4 | 6.5 | Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1C | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL5274396 | 193790 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 599 | 11 | 1 | 7 | 6.1 | COc1cc(N2CC[C@@H](Oc3ccc(N4C[C@H](OCCCC(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1 | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL5289929 | 194462 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 458 | 6 | 2 | 7 | 4.5 | Cc1ccc(Nc2nc(N)nc(COc3ccc(Cl)c(N4CCCC4=O)c3)n2)cc1Cl | 10.1021/acsmedchemlett.2c00160 | ||
| 155561358 | 175630 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 387 | 7 | 1 | 5 | 4.6 | Cc1cccc(-c2nc(C)c(COc3ccc(OCC(=O)O)c(F)c3)s2)c1 | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL4581313 | 175630 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 387 | 7 | 1 | 5 | 4.6 | Cc1cccc(-c2nc(C)c(COc3ccc(OCC(=O)O)c(F)c3)s2)c1 | 10.1016/j.ejmech.2018.12.069 | ||
| 90655863 | 111226 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 516 | 7 | 1 | 5 | 6.5 | COc1cc(-c2ccc(COc3cc4c(cn3)CC[C@]43C[C@H]3C(=O)O)cc2[C@@H]2CCCC2(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| CHEMBL3265148 | 111226 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 516 | 7 | 1 | 5 | 6.5 | COc1cc(-c2ccc(COc3cc4c(cn3)CC[C@]43C[C@H]3C(=O)O)cc2[C@@H]2CCCC2(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| 67087173 | 182436 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 522 | 8 | 1 | 4 | 6.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4786335 | 182436 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 522 | 8 | 1 | 4 | 6.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 57393692 | 69998 | 11 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#CC(CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL1939654 | 69998 | 11 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#CC(CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| 58380220 | 111229 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 520 | 8 | 1 | 6 | 5.9 | COc1cc(-c2ccc(COc3cc4c(cn3)CC[C@]43C[C@H]3C(=O)O)cc2[C@H](OC)C(C)(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| CHEMBL3265151 | 111229 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 520 | 8 | 1 | 6 | 5.9 | COc1cc(-c2ccc(COc3cc4c(cn3)CC[C@]43C[C@H]3C(=O)O)cc2[C@H](OC)C(C)(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| CHEMBL5281304 | 194086 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 522 | 10 | 1 | 6 | 5.2 | CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](OC(F)F)C[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1 | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL5274496 | 193797 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 524 | 7 | 1 | 5 | 5.6 | COc1ccc(F)c(N2C[C@@H](C)[C@@H](Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)[C@@H](C)C2)c1 | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL5267671 | 193511 | 0 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 446 | 8 | 2 | 7 | 3.7 | Cc1cc(OCc2nc(N)nc(NCCc3c(C)cccc3C)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5287009 | 194348 | 0 | None | - | 0 | Human | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 418 | 8 | 2 | 7 | 3.1 | Cc1cc(OCc2nc(N)nc(NCCc3ccccc3)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| 155569735 | 176652 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 371 | 7 | 1 | 4 | 4.9 | Cc1nc(-c2ccc(F)cc2)sc1COc1ccc(CCC(=O)O)cc1 | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL4535460 | 176652 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 371 | 7 | 1 | 4 | 4.9 | Cc1nc(-c2ccc(F)cc2)sc1COc1ccc(CCC(=O)O)cc1 | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL4598257 | 176652 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 371 | 7 | 1 | 4 | 4.9 | Cc1nc(-c2ccc(F)cc2)sc1COc1ccc(CCC(=O)O)cc1 | 10.1016/j.ejmech.2018.12.069 | ||
| 145965707 | 164179 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 421 | 7 | 1 | 6 | 3.7 | Cc1nc(-c2ccc(F)cc2)sc1COc1ccc(S(=O)(=O)CC(=O)O)cc1 | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL4210871 | 164179 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 421 | 7 | 1 | 6 | 3.7 | Cc1nc(-c2ccc(F)cc2)sc1COc1ccc(S(=O)(=O)CC(=O)O)cc1 | 10.1016/j.ejmech.2018.12.069 | ||
| 162676686 | 183462 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 523 | 8 | 1 | 5 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4799453 | 183462 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 523 | 8 | 1 | 5 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 6483 | 3855 | 54 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/ml4000673 | ||
| 66553168 | 3855 | 54 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/ml4000673 | ||
| CHEMBL2386353 | 3855 | 54 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/ml4000673 | ||
| CHEMBL5272492 | 193703 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 403 | 6 | 2 | 8 | 3.8 | CCc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4ccc(C)cc4)n3)ccc12 | 10.1021/acsmedchemlett.2c00160 | ||
| 24857286 | 1611 | 72 | None | -10 | 2 | Rat | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acsmedchemlett.6b00331 | ||
| 6484 | 1611 | 72 | None | -10 | 2 | Rat | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL1829174 | 1611 | 72 | None | -10 | 2 | Rat | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acsmedchemlett.6b00331 | ||
| DB12491 | 1611 | 72 | None | -10 | 2 | Rat | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acsmedchemlett.6b00331 | ||
| 1050 | 1889 | 94 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/acs.jmedchem.6b00202 | ||
| 11595431 | 1889 | 94 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL207881 | 1889 | 94 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/acs.jmedchem.6b00202 | ||
| 90655862 | 111224 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 492 | 9 | 1 | 5 | 6.7 | COc1cc(-c2ccc(COc3cc([C@H](C)CC(=O)O)ccn3)cc2[C@@H]2CCCC2(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| CHEMBL3265146 | 111224 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 492 | 9 | 1 | 5 | 6.7 | COc1cc(-c2ccc(COc3cc([C@H](C)CC(=O)O)ccn3)cc2[C@@H]2CCCC2(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| 156635003 | 180912 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 394 | 3 | 2 | 3 | 3.9 | Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1C(F)(F)F | 10.1016/j.bmcl.2020.127650 | ||
| CHEMBL4758125 | 180912 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 394 | 3 | 2 | 3 | 3.9 | Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1C(F)(F)F | 10.1016/j.bmcl.2020.127650 | ||
| 11961321 | 111772 | 4 | None | - | 0 | Crab-eating macaque | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 460 | 8 | 1 | 4 | 6.2 | Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3287569 | 111772 | 4 | None | - | 0 | Crab-eating macaque | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 460 | 8 | 1 | 4 | 6.2 | Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL5283236 | 194170 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 491 | 7 | 1 | 6 | 4.7 | COc1cc(N2CC[C@@H](Oc3ccc(N4C[C@H](F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1 | 10.1016/j.bmc.2023.117273 | ||
| 134139990 | 146303 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 461 | 10 | 1 | 4 | 5.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C(C)=O)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3921143 | 146303 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 461 | 10 | 1 | 4 | 5.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C(C)=O)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| 75204006 | 114233 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 484 | 7 | 1 | 5 | 6.4 | COc1cccc(-c2ccc(Oc3ccc(N4N=C(C(F)(F)F)CC4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/ml5002757 | ||
| CHEMBL3330548 | 114233 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 484 | 7 | 1 | 5 | 6.4 | COc1cccc(-c2ccc(Oc3ccc(N4N=C(C(F)(F)F)CC4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/ml5002757 | ||
| CHEMBL5282578 | 194139 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 552 | 9 | 1 | 5 | 6.4 | CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)[C@H](C(C)C)C2)c1 | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL5279836 | 194017 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 417 | 7 | 2 | 8 | 4.1 | CCCc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4ccc(C)cc4)n3)ccc12 | 10.1021/acsmedchemlett.2c00160 | ||
| 127035669 | 137292 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 440 | 8 | 1 | 4 | 5.9 | Cc1cccc(C)c1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3752601 | 137292 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 440 | 8 | 1 | 4 | 5.9 | Cc1cccc(C)c1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| 71257551 | 150569 | 24 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 475 | 9 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCCc4cccc(OC)c43)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL3955132 | 150569 | 24 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 475 | 9 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCCc4cccc(OC)c43)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 162664735 | 182062 | 0 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 521 | 9 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(OC)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4781604 | 182062 | 0 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 521 | 9 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(OC)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL5075693 | 214367 | 3 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | None | None | None | Cc1cc(OCCC(C)(C)O)cc(C)c1-c1ccc(F)c2c1CC[C@H]2Oc1ccc2c(c1)OC[C@H]2CC(=O)O | 10.6019/CHEMBL5058643 | ||||
| 46854655 | 394 | 47 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00892 | ||
| 6485 | 394 | 47 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL1829173 | 394 | 47 | None | - | 1 | Rat | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00892 | ||
| 51357276 | 181983 | 0 | None | - | 1 | Mouse | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 508 | 8 | 1 | 4 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4780641 | 181983 | 0 | None | - | 1 | Mouse | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 508 | 8 | 1 | 4 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 67087041 | 182347 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 542 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3c(Cl)cccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4785057 | 182347 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 542 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3c(Cl)cccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 162674654 | 183431 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 525 | 8 | 1 | 3 | 7.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4798993 | 183431 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 525 | 8 | 1 | 3 | 7.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 134465794 | 171054 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 458 | 9 | 1 | 3 | 6.5 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@@](C)(F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| CHEMBL4457303 | 171054 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 458 | 9 | 1 | 3 | 6.5 | COc1ccc(F)c([C@H]2CC[C@H](COc3cccc([C@H](C4CC4)[C@@](C)(F)C(=O)O)c3)CC2)c1 | 10.1021/acsmedchemlett.8b00444 | ||
| 68194237 | 182182 | 0 | None | - | 1 | Mouse | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2nc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4783033 | 182182 | 0 | None | - | 1 | Mouse | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2nc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 68194449 | 182790 | 0 | None | - | 1 | Mouse | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 498 | 8 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cnc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4790921 | 182790 | 0 | None | - | 1 | Mouse | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 498 | 8 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cnc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 68194465 | 183282 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 511 | 8 | 1 | 4 | 6.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4797124 | 183282 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 511 | 8 | 1 | 4 | 6.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 118129999 | 157743 | 0 | None | - | 1 | Rat | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 453 | 8 | 1 | 5 | 5.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C(C)C)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4082711 | 157743 | 0 | None | - | 1 | Rat | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 453 | 8 | 1 | 5 | 5.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C(C)C)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL5277813 | 193928 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 541 | 7 | 1 | 6 | 5.5 | COc1cc(N2CC[C@@H](Oc3ccc(N4C[C@H](C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1 | 10.1016/j.bmc.2023.117273 | ||
| 90159227 | 158043 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 514 | 7 | 1 | 4 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL4086198 | 158043 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 514 | 7 | 1 | 4 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL5275546 | 193837 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 454 | 8 | 2 | 7 | 3.4 | Cc1cc(OCc2nc(N)nc(NCCc3c(F)cccc3F)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5278836 | 193975 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 452 | 8 | 2 | 7 | 3.8 | Cc1cc(OCc2nc(N)nc(NCCc3cccc(Cl)c3)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5280494 | 194047 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 450 | 8 | 2 | 7 | 3.6 | Cc1cc(OCc2nc(N)nc(NCCc3cc(C)ccc3F)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5282108 | 194122 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 486 | 8 | 2 | 7 | 4.4 | Cc1cc(OCc2nc(N)nc(NCCc3cccc(Cl)c3Cl)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| 90655859 | 111188 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 461 | 10 | 1 | 4 | 7.0 | CCC[C@H](CC(=O)O)c1cccc(OCc2ccc(-c3cncc(OC)c3)c(C(C)(C)C)c2)c1 | 10.1021/ml4005123 | ||
| CHEMBL3264818 | 111188 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 461 | 10 | 1 | 4 | 7.0 | CCC[C@H](CC(=O)O)c1cccc(OCc2ccc(-c3cncc(OC)c3)c(C(C)(C)C)c2)c1 | 10.1021/ml4005123 | ||
| 127036829 | 137282 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 480 | 8 | 1 | 4 | 6.6 | Cn1ccnc1[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccc(Cl)cc3Cl)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3752487 | 137282 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 480 | 8 | 1 | 4 | 6.6 | Cn1ccnc1[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccc(Cl)cc3Cl)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| 118129981 | 159443 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 513 | 11 | 2 | 7 | 5.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OCCC(C)(C)O)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4101472 | 159443 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 513 | 11 | 2 | 7 | 5.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OCCC(C)(C)O)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 162645828 | 179639 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 352 | 6 | 1 | 2 | 4.2 | O=C(O)CCc1ccc(COc2cc(F)ccc2Br)cc1 | 10.1016/j.bmcl.2020.127650 | ||
| CHEMBL4743323 | 179639 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 352 | 6 | 1 | 2 | 4.2 | O=C(O)CCc1ccc(COc2cc(F)ccc2Br)cc1 | 10.1016/j.bmcl.2020.127650 | ||
| 162652317 | 180297 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 304 | 7 | 1 | 3 | 3.4 | COc1ccc(F)cc1OCc1ccc(CCC(=O)O)cc1 | 10.1016/j.bmcl.2020.127650 | ||
| CHEMBL4751137 | 180297 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 304 | 7 | 1 | 3 | 3.4 | COc1ccc(F)cc1OCc1ccc(CCC(=O)O)cc1 | 10.1016/j.bmcl.2020.127650 | ||
| CHEMBL5284113 | 194221 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 575 | 12 | 1 | 8 | 5.1 | COCCCO[C@H]1CN(c2ccc(O[C@@H]3CCN(c4cc(OC)ncc4Cl)C[C@H]3C)cc2)[C@@H](CC(=O)O)C1(C)C | 10.1016/j.bmc.2023.117273 | ||
| 156013152 | 177454 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 438 | 7 | 1 | 4 | 5.8 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C)cc4C)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4639182 | 177454 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 438 | 7 | 1 | 4 | 5.8 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C)cc4C)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| 1050 | 1889 | 94 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1016/j.bmcl.2014.07.043 | ||
| 11595431 | 1889 | 94 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1016/j.bmcl.2014.07.043 | ||
| CHEMBL207881 | 1889 | 94 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1016/j.bmcl.2014.07.043 | ||
| CHEMBL5289099 | 194437 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 425 | 6 | 2 | 8 | 4.1 | Cc1ccc(Nc2nc(N)nc(COc3ccc4c(C(F)F)cc(=O)oc4c3)n2)cc1 | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5286632 | 194330 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 492 | 6 | 2 | 7 | 4.9 | Cc1ccc(Nc2nc(N)nc(COc3cc(N4CCCC4=O)cc(C(F)(F)F)c3)n2)cc1Cl | 10.1021/acsmedchemlett.2c00160 | ||
| 58230552 | 182195 | 0 | None | - | 1 | Mouse | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 471 | 8 | 1 | 3 | 6.0 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4783190 | 182195 | 0 | None | - | 1 | Mouse | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 471 | 8 | 1 | 3 | 6.0 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| 132606864 | 157722 | 0 | None | - | 1 | Mouse | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@@H](C(F)(F)F)C[C@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4082395 | 157722 | 0 | None | - | 1 | Mouse | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@@H](C(F)(F)F)C[C@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL5284884 | 194246 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 544 | 9 | 2 | 7 | 5.8 | Cc1cc(OCc2nc(N)nc(NCCc3cccc(S(F)(F)(F)(F)F)c3)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| 6483 | 3855 | 54 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/ml4000673 | ||
| 66553168 | 3855 | 54 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/ml4000673 | ||
| CHEMBL2386353 | 3855 | 54 | None | - | 1 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/ml4000673 | ||
| CHEMBL5267399 | 193503 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 409 | 5 | 2 | 8 | 3.8 | Cc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4ccc(Cl)cc4)n3)ccc12 | 10.1021/acsmedchemlett.2c00160 | ||
| 9823501 | 100179 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 421 | 7 | 1 | 4 | 5.7 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(CCC(=O)O)cc1 | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL288341 | 100179 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 421 | 7 | 1 | 4 | 5.7 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(CCC(=O)O)cc1 | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL4445519 | 100179 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 421 | 7 | 1 | 4 | 5.7 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc(CCC(=O)O)cc1 | 10.1016/j.ejmech.2018.12.069 | ||
| 11961321 | 111772 | 4 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 460 | 8 | 1 | 4 | 6.2 | Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1021/ml400501x | ||
| CHEMBL3287569 | 111772 | 4 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 460 | 8 | 1 | 4 | 6.2 | Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1021/ml400501x | ||
| 15603842 | 111773 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 461 | 8 | 1 | 5 | 5.6 | Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3ncnn3C)cc2)c1 | 10.1021/ml400501x | ||
| CHEMBL3287570 | 111773 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 461 | 8 | 1 | 5 | 5.6 | Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3ncnn3C)cc2)c1 | 10.1021/ml400501x | ||
| 11961321 | 111772 | 4 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 460 | 8 | 1 | 4 | 6.2 | Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3287569 | 111772 | 4 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 460 | 8 | 1 | 4 | 6.2 | Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| 132606863 | 157799 | 0 | None | - | 0 | Mouse | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4083365 | 157799 | 0 | None | - | 0 | Mouse | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 68674201 | 137264 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 476 | 8 | 1 | 2 | 7.6 | O=C(O)CC(c1ccccc1)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3752303 | 137264 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 476 | 8 | 1 | 2 | 7.6 | O=C(O)CC(c1ccccc1)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| 127035471 | 137466 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 477 | 8 | 1 | 3 | 7.0 | O=C(O)CC(c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1)c1ccccn1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3753980 | 137466 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 477 | 8 | 1 | 3 | 7.0 | O=C(O)CC(c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1)c1ccccn1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL5281020 | 194073 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 442 | 6 | 2 | 7 | 4.0 | Cc1ccc(Nc2nc(N)nc(COc3cc(N4CCCC4=O)ccc3F)n2)cc1Cl | 10.1021/acsmedchemlett.2c00160 | ||
| 57522038 | 3856 | 60 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 364 | 7 | 1 | 2 | 5.4 | OC(=O)CCc1ccc(cc1)OCc1cc(F)ccc1c1ccc(cc1)C | 10.1016/j.bmcl.2020.127650 | ||
| 6490 | 3856 | 60 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 364 | 7 | 1 | 2 | 5.4 | OC(=O)CCc1ccc(cc1)OCc1cc(F)ccc1c1ccc(cc1)C | 10.1016/j.bmcl.2020.127650 | ||
| CHEMBL2058533 | 3856 | 60 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 364 | 7 | 1 | 2 | 5.4 | OC(=O)CCc1ccc(cc1)OCc1cc(F)ccc1c1ccc(cc1)C | 10.1016/j.bmcl.2020.127650 | ||
| 58230552 | 182195 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 471 | 8 | 1 | 3 | 6.0 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4783190 | 182195 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 471 | 8 | 1 | 3 | 6.0 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL5287358 | 194358 | 0 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 448 | 9 | 2 | 8 | 3.1 | COc1ccccc1CCNc1nc(N)nc(COc2cc(C)cc(N3CCCC3=O)c2)n1 | 10.1021/acsmedchemlett.2c00160 | ||
| 67361692 | 90269 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 540 | 7 | 1 | 3 | 8.4 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CCC4)CC[C@H]3C(=O)O)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| CHEMBL2385303 | 90269 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 540 | 7 | 1 | 3 | 8.4 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CCC4)CC[C@H]3C(=O)O)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| 24857286 | 1611 | 72 | None | -10 | 2 | Rat | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| 6484 | 1611 | 72 | None | -10 | 2 | Rat | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL1829174 | 1611 | 72 | None | -10 | 2 | Rat | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| DB12491 | 1611 | 72 | None | -10 | 2 | Rat | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| 90644561 | 111771 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 418 | 7 | 1 | 2 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccc(Cl)cc3C)c2)cc1 | 10.1021/ml400501x | ||
| CHEMBL3287568 | 111771 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 418 | 7 | 1 | 2 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccc(Cl)cc3C)c2)cc1 | 10.1021/ml400501x | ||
| 24897670 | 111777 | 23 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 488 | 8 | 1 | 6 | 6.3 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)O)c2ccon2)cc1 | 10.1021/ml400501x | ||
| CHEMBL3287574 | 111777 | 23 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 488 | 8 | 1 | 6 | 6.3 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)O)c2ccon2)cc1 | 10.1021/ml400501x | ||
| 162667620 | 182533 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4787628 | 182533 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| 127036828 | 137412 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 444 | 8 | 1 | 4 | 5.7 | Cc1ccc(F)cc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3753533 | 137412 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 444 | 8 | 1 | 4 | 5.7 | Cc1ccc(F)cc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| 76900387 | 157521 | 6 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 540 | 7 | 1 | 7 | 5.3 | COc1cc(N2CC[C@@H](Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1 | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL4080226 | 157521 | 6 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 540 | 7 | 1 | 7 | 5.3 | COc1cc(N2CC[C@@H](Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1 | 10.1016/j.bmc.2023.117273 | ||
| 90158812 | 114232 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 335 | 5 | 1 | 5 | 3.7 | Cc1ccccc1Oc1ccc(N2N=C(C#N)CC2CC(=O)O)cc1 | 10.1021/ml5002757 | ||
| CHEMBL3330547 | 114232 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 335 | 5 | 1 | 5 | 3.7 | Cc1ccccc1Oc1ccc(N2N=C(C#N)CC2CC(=O)O)cc1 | 10.1021/ml5002757 | ||
| 57706032 | 111216 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 460 | 10 | 1 | 3 | 7.6 | CCC[C@H](CC(=O)O)c1cccc(OCc2ccc(-c3cccc(OC)c3)c(C(C)(C)C)c2)c1 | 10.1021/ml4005123 | ||
| CHEMBL3265138 | 111216 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 460 | 10 | 1 | 3 | 7.6 | CCC[C@H](CC(=O)O)c1cccc(OCc2ccc(-c3cccc(OC)c3)c(C(C)(C)C)c2)c1 | 10.1021/ml4005123 | ||
| 145965467 | 164142 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 403 | 7 | 1 | 6 | 3.6 | Cc1nc(-c2ccccc2)sc1COc1ccc(S(=O)(=O)CC(=O)O)cc1 | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL4210415 | 164142 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 403 | 7 | 1 | 6 | 3.6 | Cc1nc(-c2ccccc2)sc1COc1ccc(S(=O)(=O)CC(=O)O)cc1 | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL5275951 | 193855 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 524 | 7 | 1 | 5 | 5.8 | COc1ccc(F)c(N2CCC(Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)C(C)(C)C2)c1 | 10.1016/j.bmc.2023.117273 | ||
| 90655858 | 111215 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 461 | 10 | 1 | 4 | 7.0 | CCC[C@H](CC(=O)O)c1cccc(OCc2ccc(-c3cccc(OC)n3)c(C(C)(C)C)c2)c1 | 10.1021/ml4005123 | ||
| CHEMBL3265137 | 111215 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 461 | 10 | 1 | 4 | 7.0 | CCC[C@H](CC(=O)O)c1cccc(OCc2ccc(-c3cccc(OC)n3)c(C(C)(C)C)c2)c1 | 10.1021/ml4005123 | ||
| 155512244 | 169605 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 373 | 7 | 1 | 5 | 4.3 | Cc1nc(-c2ccccc2)sc1COc1ccc(OCC(=O)O)c(F)c1 | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL4436948 | 169605 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 373 | 7 | 1 | 5 | 4.3 | Cc1nc(-c2ccccc2)sc1COc1ccc(OCC(=O)O)c(F)c1 | 10.1016/j.ejmech.2018.12.069 | ||
| 70901463 | 90282 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 512 | 7 | 1 | 3 | 7.6 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@@]3(CC4)C[C@H]3C(=O)O)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| CHEMBL2385467 | 90282 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 512 | 7 | 1 | 3 | 7.6 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@@]3(CC4)C[C@H]3C(=O)O)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| 134136203 | 142946 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 433 | 10 | 1 | 4 | 5.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(C)Cc3ccsc3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3894356 | 142946 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 433 | 10 | 1 | 4 | 5.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(C)Cc3ccsc3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| 162644059 | 181800 | 0 | None | - | 1 | Mouse | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 440 | 8 | 1 | 7 | 4.6 | O=C(O)C[C@@H](c1ccc(OCc2ccc3nc(-c4ccccc4)nn3c2)cc1)c1ccon1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4778264 | 181800 | 0 | None | - | 1 | Mouse | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 440 | 8 | 1 | 7 | 4.6 | O=C(O)C[C@@H](c1ccc(OCc2ccc3nc(-c4ccccc4)nn3c2)cc1)c1ccon1 | 10.1021/acs.jmedchem.6b00892 | ||
| 156020437 | 178124 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 424 | 7 | 1 | 4 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccccc4C)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4648853 | 178124 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 424 | 7 | 1 | 4 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccccc4C)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| 67072752 | 86500 | 0 | None | - | 1 | Mouse | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 289 | 4 | 1 | 2 | 3.2 | N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm301470a | ||
| CHEMBL2315528 | 86500 | 0 | None | - | 1 | Mouse | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 289 | 4 | 1 | 2 | 3.2 | N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/jm301470a | ||
| 89671280 | 146663 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 406 | 5 | 3 | 3 | 4.1 | CC#C[C@@H](CC(=O)O)c1ccc(NC(=O)C(=O)Nc2cccc(C(C)(C)C)c2)cc1 | 10.1016/j.bmc.2017.03.001 | ||
| CHEMBL3923877 | 146663 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 406 | 5 | 3 | 3 | 4.1 | CC#C[C@@H](CC(=O)O)c1ccc(NC(=O)C(=O)Nc2cccc(C(C)(C)C)c2)cc1 | 10.1016/j.bmc.2017.03.001 | ||
| 68194476 | 182863 | 0 | None | - | 1 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 481 | 8 | 1 | 4 | 6.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)o2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4792075 | 182863 | 0 | None | - | 1 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 481 | 8 | 1 | 4 | 6.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)o2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 134140675 | 146754 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 509 | 12 | 1 | 4 | 7.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccccc3)Cc3ccsc3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3924534 | 146754 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 509 | 12 | 1 | 4 | 7.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccccc3)Cc3ccsc3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| 162676686 | 183462 | 0 | None | - | 1 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 523 | 8 | 1 | 5 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4799453 | 183462 | 0 | None | - | 1 | Rat | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 523 | 8 | 1 | 5 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 67087173 | 182436 | 0 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 522 | 8 | 1 | 4 | 6.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4786335 | 182436 | 0 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 522 | 8 | 1 | 4 | 6.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 134147518 | 150093 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 487 | 11 | 1 | 4 | 6.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CCCC3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3951157 | 150093 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 487 | 11 | 1 | 4 | 6.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CCCC3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| 59132740 | 137345 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 477 | 8 | 1 | 3 | 7.0 | O=C(O)CC(c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1)c1cccnc1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3753057 | 137345 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 477 | 8 | 1 | 3 | 7.0 | O=C(O)CC(c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1)c1cccnc1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL5266730 | 193466 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 486 | 8 | 2 | 7 | 4.4 | Cc1cc(OCc2nc(N)nc(NCCc3cc(Cl)cc(Cl)c3)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| 15602772 | 111776 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 503 | 8 | 1 | 8 | 4.8 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)O)c2nnnn2C)cc1 | 10.1021/ml400501x | ||
| CHEMBL3287573 | 111776 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 503 | 8 | 1 | 8 | 4.8 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)O)c2nnnn2C)cc1 | 10.1021/ml400501x | ||
| 127035638 | 137444 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 442 | 9 | 1 | 5 | 5.3 | COc1ccccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3753790 | 137444 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 442 | 9 | 1 | 5 | 5.3 | COc1ccccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL5290988 | 194495 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 428 | 7 | 1 | 5 | 4.3 | COc1ccc(F)c(N2CCC(Oc3ccc(N4CCC[C@H]4CC(=O)O)cc3)CC2)c1 | 10.1016/j.bmc.2023.117273 | ||
| 156010854 | 177095 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 492 | 8 | 1 | 4 | 7.2 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C5CCCCC5)cc4)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4633642 | 177095 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 492 | 8 | 1 | 4 | 7.2 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C5CCCCC5)cc4)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL5283217 | 194168 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 449 | 6 | 2 | 8 | 3.7 | Cc1ccc(Nc2nc(N)nc(COc3cc(C#N)cc(N4CCCC4=O)c3)n2)cc1Cl | 10.1021/acsmedchemlett.2c00160 | ||
| 162666840 | 182430 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4786299 | 182430 | 0 | None | - | 1 | Rat | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| 127036828 | 137412 | 0 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 444 | 8 | 1 | 4 | 5.7 | Cc1ccc(F)cc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3753533 | 137412 | 0 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 444 | 8 | 1 | 4 | 5.7 | Cc1ccc(F)cc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| 127035667 | 137261 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 446 | 8 | 1 | 4 | 5.9 | Cn1ccnc1[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccccc3Cl)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3752274 | 137261 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 446 | 8 | 1 | 4 | 5.9 | Cn1ccnc1[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccccc3Cl)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| 127037608 | 137374 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 426 | 8 | 1 | 4 | 5.6 | Cc1ccccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3753265 | 137374 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 426 | 8 | 1 | 4 | 5.6 | Cc1ccccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL5268183 | 193527 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 538 | 9 | 1 | 5 | 6.1 | CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)[C@H](CC)C2)c1 | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL5280786 | 194060 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 566 | 10 | 1 | 5 | 6.8 | CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)[C@H](CC(C)C)C2)c1 | 10.1016/j.bmc.2023.117273 | ||
| 127036747 | 137544 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 442 | 9 | 1 | 5 | 5.3 | COc1ccc(-c2cccc(COc3ccc([C@H](CC(=O)O)c4nccn4C)cc3)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3754670 | 137544 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 442 | 9 | 1 | 5 | 5.3 | COc1ccc(-c2cccc(COc3ccc([C@H](CC(=O)O)c4nccn4C)cc3)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL5285104 | 194256 | 0 | None | - | 0 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 486 | 8 | 2 | 7 | 4.4 | Cc1cc(OCc2nc(N)nc(NCCc3ccc(Cl)cc3Cl)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| 118129979 | 155770 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 436 | 7 | 1 | 6 | 4.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C#N)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4059614 | 155770 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 436 | 7 | 1 | 6 | 4.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C#N)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 24857286 | 1611 | 72 | None | 10 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2018.12.069 | ||
| 6484 | 1611 | 72 | None | 10 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL1829174 | 1611 | 72 | None | 10 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2018.12.069 | ||
| DB12491 | 1611 | 72 | None | 10 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL5268798 | 193554 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 534 | 10 | 1 | 6 | 5.8 | CCOc1ccc(F)c(N2CCC(Oc3ccc(N4C[C@H](Oc5ccccc5)C[C@@H]4CC(=O)O)cc3)CC2)c1 | 10.1016/j.bmc.2023.117273 | ||
| 156016183 | 177644 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 424 | 7 | 1 | 4 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4ccccc4C)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4641652 | 177644 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 424 | 7 | 1 | 4 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4ccccc4C)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL5276740 | 193889 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 417 | 6 | 2 | 8 | 4.3 | Cc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4ccc(C(C)C)cc4)n3)ccc12 | 10.1021/acsmedchemlett.2c00160 | ||
| 156013404 | 177435 | 3 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 440 | 8 | 1 | 5 | 5.2 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OC)cc4)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4638956 | 177435 | 3 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 440 | 8 | 1 | 5 | 5.2 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OC)cc4)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| 1050 | 1889 | 94 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/acs.jmedchem.0c01002 | ||
| 11595431 | 1889 | 94 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/acs.jmedchem.0c01002 | ||
| CHEMBL207881 | 1889 | 94 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/acs.jmedchem.0c01002 | ||
| 127035668 | 137314 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 440 | 9 | 1 | 4 | 5.8 | CCc1ccccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3752807 | 137314 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 440 | 9 | 1 | 4 | 5.8 | CCc1ccccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL5283236 | 194170 | 0 | None | - | 0 | Mouse | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 491 | 7 | 1 | 6 | 4.7 | COc1cc(N2CC[C@@H](Oc3ccc(N4C[C@H](F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1 | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL5273852 | 193758 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.3 | Cc1cc(OCc2nc(N)nc(NCC3(c4cccc(Cl)c4)CC3)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| 837245 | 10567 | 46 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 315 | 3 | 1 | 2 | 3.8 | Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2020.127650 | ||
| CHEMBL1170012 | 10567 | 46 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 315 | 3 | 1 | 2 | 3.8 | Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2020.127650 | ||
| CHEMBL5285988 | 194302 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 561 | 12 | 1 | 8 | 4.8 | COCCCO[C@H]1CN(c2ccc(O[C@@H]3CCN(c4cc(OC)ncc4Cl)C[C@H]3C)cc2)[C@@H](CC(=O)O)[C@@H]1C | 10.1016/j.bmc.2023.117273 | ||
| 156019672 | 177966 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 438 | 8 | 1 | 4 | 5.7 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(CC)cc4)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4646212 | 177966 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 438 | 8 | 1 | 4 | 5.7 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(CC)cc4)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| 52936292 | 182086 | 27 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 497 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4782004 | 182086 | 27 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 497 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 51357276 | 181983 | 0 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 508 | 8 | 1 | 4 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4780641 | 181983 | 0 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 508 | 8 | 1 | 4 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 162667620 | 182533 | 0 | None | - | 1 | Mouse | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4787628 | 182533 | 0 | None | - | 1 | Mouse | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL5271268 | 193653 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 470 | 9 | 1 | 5 | 5.3 | CC#CC(CC(=O)O)c1ccc(OCc2cccc(CN3CCc4oc(C5CC5)nc4C3)c2)cc1 | 10.1016/j.ejmech.2018.04.061 | ||
| 44223813 | 90289 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 500 | 8 | 1 | 3 | 7.8 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@@H](CC(=O)O)CC4)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| CHEMBL2385476 | 90289 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 500 | 8 | 1 | 3 | 7.8 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@@H](CC(=O)O)CC4)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| CHEMBL5266523 | 193461 | 0 | None | - | 0 | Human | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 484 | 10 | 2 | 8 | 3.7 | Cc1cc(OCc2nc(N)nc(NCCc3cccc(OC(F)F)c3)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5267225 | 193489 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 436 | 8 | 2 | 7 | 3.3 | Cc1cc(OCc2nc(N)nc(NCCc3cccc(F)c3)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| 156013456 | 177451 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 438 | 7 | 1 | 4 | 5.8 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4ccc(C)cc4C)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4639121 | 177451 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 438 | 7 | 1 | 4 | 5.8 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4ccc(C)cc4C)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| 156019224 | 177947 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 424 | 7 | 1 | 4 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C)cc4)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4645989 | 177947 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 424 | 7 | 1 | 4 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C)cc4)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL5281753 | 194101 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 558 | 13 | 1 | 7 | 5.2 | CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](OCCCOC)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1 | 10.1016/j.bmc.2023.117273 | ||
| 67359903 | 90287 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 526 | 7 | 1 | 3 | 8.0 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CC4)CC[C@H]3C(=O)O)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| CHEMBL2385474 | 90287 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 526 | 7 | 1 | 3 | 8.0 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CC4)CC[C@H]3C(=O)O)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| 68194159 | 183037 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2sc(CN3CCC4(C=Cc5ccccc54)CC3)nc2C)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4794233 | 183037 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2sc(CN3CCC4(C=Cc5ccccc54)CC3)nc2C)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 156012263 | 177270 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 452 | 8 | 1 | 4 | 6.3 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C(C)C)cc4)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4636540 | 177270 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 452 | 8 | 1 | 4 | 6.3 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C(C)C)cc4)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| 24857286 | 1611 | 72 | None | 10 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2020.115574 | ||
| 6484 | 1611 | 72 | None | 10 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL1829174 | 1611 | 72 | None | 10 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2020.115574 | ||
| DB12491 | 1611 | 72 | None | 10 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmc.2020.115574 | ||
| 3367 | 1148 | 1 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 416 | 4 | 1 | 5 | 4.7 | O=C1NC(=O)C(S1)Cc1ccc(cc1C)Oc1ncc(cc1Cl)C(F)(F)F | 10.1021/acs.jmedchem.6b00202 | ||
| 46216676 | 1148 | 1 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 416 | 4 | 1 | 5 | 4.7 | O=C1NC(=O)C(S1)Cc1ccc(cc1C)Oc1ncc(cc1Cl)C(F)(F)F | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL604126 | 1148 | 1 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 416 | 4 | 1 | 5 | 4.7 | O=C1NC(=O)C(S1)Cc1ccc(cc1C)Oc1ncc(cc1Cl)C(F)(F)F | 10.1021/acs.jmedchem.6b00202 | ||
| 58230598 | 183095 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 487 | 8 | 1 | 3 | 6.5 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1Cl | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4794904 | 183095 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 487 | 8 | 1 | 3 | 6.5 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1Cl | 10.1021/acs.jmedchem.6b00892 | ||
| 132578495 | 182862 | 2 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4792027 | 182862 | 2 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL5283683 | 194202 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 482 | 9 | 2 | 8 | 3.8 | COc1ccc(Cl)cc1CCNc1nc(N)nc(COc2cc(C)cc(N3CCCC3=O)c2)n1 | 10.1021/acsmedchemlett.2c00160 | ||
| 561372 | 58797 | 65 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 256 | 6 | 1 | 2 | 3.3 | O=C(O)CCc1ccc(OCc2ccccc2)cc1 | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL1688452 | 58797 | 65 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 256 | 6 | 1 | 2 | 3.3 | O=C(O)CCc1ccc(OCc2ccccc2)cc1 | 10.1021/acs.jmedchem.6b00202 | ||
| 156014759 | 177228 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 478 | 7 | 1 | 4 | 6.2 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C(F)(F)F)cc4)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4635975 | 177228 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 478 | 7 | 1 | 4 | 6.2 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C(F)(F)F)cc4)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| 156011495 | 177330 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 492 | 8 | 1 | 4 | 7.2 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4ccc(C5CCCCC5)cc4)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4637557 | 177330 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 492 | 8 | 1 | 4 | 7.2 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4ccc(C5CCCCC5)cc4)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| 51357276 | 181983 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 508 | 8 | 1 | 4 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4780641 | 181983 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 508 | 8 | 1 | 4 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 90158812 | 114232 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 335 | 5 | 1 | 5 | 3.7 | Cc1ccccc1Oc1ccc(N2N=C(C#N)CC2CC(=O)O)cc1 | 10.1021/ml5002757 | ||
| CHEMBL3330547 | 114232 | 0 | None | - | 0 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 335 | 5 | 1 | 5 | 3.7 | Cc1ccccc1Oc1ccc(N2N=C(C#N)CC2CC(=O)O)cc1 | 10.1021/ml5002757 | ||
| 127035667 | 137261 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 446 | 8 | 1 | 4 | 5.9 | Cn1ccnc1[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccccc3Cl)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3752274 | 137261 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 446 | 8 | 1 | 4 | 5.9 | Cn1ccnc1[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccccc3Cl)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| 118129998 | 157299 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 485 | 11 | 1 | 7 | 4.6 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OCCOC)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4077366 | 157299 | 0 | None | - | 1 | Rat | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 485 | 11 | 1 | 7 | 4.6 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OCCOC)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 162673626 | 183169 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 350 | 3 | 2 | 3 | 3.7 | Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1C(F)(F)F | 10.1016/j.bmcl.2020.127650 | ||
| CHEMBL4795755 | 183169 | 0 | None | - | 0 | Human | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 350 | 3 | 2 | 3 | 3.7 | Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1C(F)(F)F | 10.1016/j.bmcl.2020.127650 | ||
| 90644562 | 111779 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 488 | 8 | 1 | 6 | 6.3 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)O)c2cnco2)cc1 | 10.1021/ml400501x | ||
| CHEMBL3287576 | 111779 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 488 | 8 | 1 | 6 | 6.3 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)O)c2cnco2)cc1 | 10.1021/ml400501x | ||
| 68194237 | 182182 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2nc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4783033 | 182182 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2nc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 127035669 | 137292 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 440 | 8 | 1 | 4 | 5.9 | Cc1cccc(C)c1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3752601 | 137292 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 440 | 8 | 1 | 4 | 5.9 | Cc1cccc(C)c1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL5269274 | 193572 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 500 | 9 | 1 | 6 | 4.8 | CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](OC)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1 | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL5289252 | 194440 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 510 | 7 | 1 | 5 | 5.4 | COc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)[C@@H](C)C2)c1 | 10.1016/j.bmc.2023.117273 | ||
| 156013517 | 177486 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 5.3 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccccc4F)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4639658 | 177486 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 5.3 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccccc4F)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| 127037633 | 137541 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 444 | 8 | 1 | 4 | 5.7 | Cc1cc(F)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3754659 | 137541 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 444 | 8 | 1 | 4 | 5.7 | Cc1cc(F)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| 155569722 | 176234 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 353 | 7 | 1 | 4 | 4.7 | Cc1nc(-c2ccccc2)sc1COc1ccc(CCC(=O)O)cc1 | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL4528449 | 176234 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 353 | 7 | 1 | 4 | 4.7 | Cc1nc(-c2ccccc2)sc1COc1ccc(CCC(=O)O)cc1 | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL4594952 | 176234 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 353 | 7 | 1 | 4 | 4.7 | Cc1nc(-c2ccccc2)sc1COc1ccc(CCC(=O)O)cc1 | 10.1016/j.ejmech.2018.12.069 | ||
| 156021563 | 178001 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 534 | 12 | 1 | 6 | 6.2 | COc1ccc(F)c(-c2ncc(COc3ccc([C@@H](CC(=O)O)C4CC4)cc3)nc2OCCC(F)(F)F)c1 | 10.1016/j.ejmech.2018.04.061 | ||
| CHEMBL4646784 | 178001 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 534 | 12 | 1 | 6 | 6.2 | COc1ccc(F)c(-c2ncc(COc3ccc([C@@H](CC(=O)O)C4CC4)cc3)nc2OCCC(F)(F)F)c1 | 10.1016/j.ejmech.2018.04.061 | ||
| 73891117 | 114236 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 522 | 8 | 1 | 4 | 7.1 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4N=C(c5ccccc5)C(C)C4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/ml5002757 | ||
| CHEMBL3330550 | 114236 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 522 | 8 | 1 | 4 | 7.1 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4N=C(c5ccccc5)C(C)C4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/ml5002757 | ||
| 132578495 | 182862 | 2 | None | - | 1 | Mouse | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4792027 | 182862 | 2 | None | - | 1 | Mouse | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 46854655 | 394 | 47 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/ml300427u | ||
| 6485 | 394 | 47 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/ml300427u | ||
| CHEMBL1829173 | 394 | 47 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/ml300427u | ||
| CHEMBL5286544 | 194327 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 457 | 5 | 2 | 8 | 4.8 | Cc1c(Cl)cc(Nc2nc(N)nc(COc3ccc4c(C)cc(=O)oc4c3)n2)cc1Cl | 10.1021/acsmedchemlett.2c00160 | ||
| 162644059 | 181800 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 440 | 8 | 1 | 7 | 4.6 | O=C(O)C[C@@H](c1ccc(OCc2ccc3nc(-c4ccccc4)nn3c2)cc1)c1ccon1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4778264 | 181800 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 440 | 8 | 1 | 7 | 4.6 | O=C(O)C[C@@H](c1ccc(OCc2ccc3nc(-c4ccccc4)nn3c2)cc1)c1ccon1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL5268800 | 193555 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 452 | 8 | 2 | 7 | 3.8 | Cc1cc(OCc2nc(N)nc(NCCc3ccccc3Cl)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5283726 | 194204 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 466 | 8 | 2 | 7 | 4.3 | Cc1cc(OCc2nc(N)nc(NCC(C)c3cccc(Cl)c3)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| 15603739 | 137546 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 460 | 8 | 1 | 4 | 6.2 | Cc1c(Cl)cccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3754682 | 137546 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 460 | 8 | 1 | 4 | 6.2 | Cc1c(Cl)cccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| 67072752 | 86500 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 289 | 4 | 1 | 2 | 3.2 | N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL2315528 | 86500 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 289 | 4 | 1 | 2 | 3.2 | N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL5271725 | 193670 | 0 | None | - | 0 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.3 | Cc1cc(OCc2nc(N)nc(NC3(Cc4cccc(Cl)c4)CC3)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| 127036748 | 137492 | 0 | None | - | 0 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 496 | 9 | 1 | 5 | 6.2 | Cn1ccnc1[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccccc3OC(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3754173 | 137492 | 0 | None | - | 0 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 496 | 9 | 1 | 5 | 6.2 | Cn1ccnc1[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccccc3OC(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| 156019823 | 177915 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 452 | 8 | 1 | 4 | 6.3 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4ccc(C(C)C)cc4)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4645557 | 177915 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 452 | 8 | 1 | 4 | 6.3 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4ccc(C(C)C)cc4)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| 156016011 | 177583 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 424 | 7 | 1 | 4 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4ccc(C)cc4)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4640818 | 177583 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 424 | 7 | 1 | 4 | 5.5 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4ccc(C)cc4)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| 68194476 | 182863 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 481 | 8 | 1 | 4 | 6.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)o2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4792075 | 182863 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 481 | 8 | 1 | 4 | 6.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)o2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 137633536 | 156271 | 0 | None | - | 0 | Mouse | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 4.6 | COc1ccc(C(F)(F)F)cc1COc1ccc(CCC(=O)O)cc1C | 10.1016/j.bmcl.2017.01.034 | ||
| CHEMBL4065397 | 156271 | 0 | None | - | 0 | Mouse | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 4.6 | COc1ccc(C(F)(F)F)cc1COc1ccc(CCC(=O)O)cc1C | 10.1016/j.bmcl.2017.01.034 | ||
| 156010092 | 177083 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 5.3 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(F)cc4)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4633473 | 177083 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 5.3 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(F)cc4)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL5290818 | 194489 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 545 | 11 | 1 | 7 | 5.5 | CCCCO[C@H]1CN(c2ccc(O[C@@H]3CCN(c4cc(OC)ncc4Cl)C[C@H]3C)cc2)[C@@H](CC(=O)O)[C@@H]1C | 10.1016/j.bmc.2023.117273 | ||
| 156019930 | 177938 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 446 | 7 | 1 | 4 | 5.4 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4cc(F)ccc4F)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4645938 | 177938 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 446 | 7 | 1 | 4 | 5.4 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4cc(F)ccc4F)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| 11961321 | 111772 | 4 | None | - | 0 | Rat | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 460 | 8 | 1 | 4 | 6.2 | Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3287569 | 111772 | 4 | None | - | 0 | Rat | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 460 | 8 | 1 | 4 | 6.2 | Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| 73891117 | 114236 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 522 | 8 | 1 | 4 | 7.1 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4N=C(c5ccccc5)C(C)C4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/ml5002757 | ||
| CHEMBL3330550 | 114236 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 522 | 8 | 1 | 4 | 7.1 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4N=C(c5ccccc5)C(C)C4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/ml5002757 | ||
| 23083113 | 177428 | 6 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 306 | 6 | 1 | 2 | 4.4 | O=C(O)CCc1ccc(OCc2cccc3ccccc23)cc1 | 10.1016/j.bmc.2019.115263 | ||
| CHEMBL4638816 | 177428 | 6 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 306 | 6 | 1 | 2 | 4.4 | O=C(O)CCc1ccc(OCc2cccc3ccccc23)cc1 | 10.1016/j.bmc.2019.115263 | ||
| 15603947 | 111775 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 502 | 8 | 1 | 7 | 5.5 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)O)c2ncnn2C)cc1 | 10.1021/ml400501x | ||
| CHEMBL3287572 | 111775 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 502 | 8 | 1 | 7 | 5.5 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)O)c2ncnn2C)cc1 | 10.1021/ml400501x | ||
| 8852666 | 192658 | 26 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 389 | 5 | 2 | 8 | 3.5 | Cc1ccccc1Nc1nc(N)nc(COc2ccc3c(C)cc(=O)oc3c2)n1 | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5219102 | 192658 | 26 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 389 | 5 | 2 | 8 | 3.5 | Cc1ccccc1Nc1nc(N)nc(COc2ccc3c(C)cc(=O)oc3c2)n1 | 10.1021/acsmedchemlett.2c00160 | ||
| 127035668 | 137314 | 0 | None | - | 0 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 440 | 9 | 1 | 4 | 5.8 | CCc1ccccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3752807 | 137314 | 0 | None | - | 0 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 440 | 9 | 1 | 4 | 5.8 | CCc1ccccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| 118129999 | 157743 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 453 | 8 | 1 | 5 | 5.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C(C)C)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4082711 | 157743 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 453 | 8 | 1 | 5 | 5.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C(C)C)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 25150014 | 3854 | 55 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 10.1021/acs.jmedchem.6b00202 | ||
| 3952 | 3854 | 55 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL449588 | 3854 | 55 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 10.1021/acs.jmedchem.6b00202 | ||
| 156017576 | 177815 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 438 | 8 | 1 | 4 | 5.7 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4ccc(CC)cc4)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4644067 | 177815 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 438 | 8 | 1 | 4 | 5.7 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4ccc(CC)cc4)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| 156021586 | 178056 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 478 | 7 | 1 | 4 | 6.2 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4ccc(C(F)(F)F)cc4)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4647663 | 178056 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 478 | 7 | 1 | 4 | 6.2 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4ccc(C(F)(F)F)cc4)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| 162674533 | 183441 | 0 | None | - | 0 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 372 | 3 | 2 | 3 | 4.4 | CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(N)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2020.127650 | ||
| CHEMBL4799103 | 183441 | 0 | None | - | 0 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 372 | 3 | 2 | 3 | 4.4 | CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(N)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2020.127650 | ||
| 57706227 | 111185 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 517 | 10 | 1 | 4 | 7.7 | COc1cc(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2[C@@H]2CCCC2(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| CHEMBL3264815 | 111185 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 517 | 10 | 1 | 4 | 7.7 | COc1cc(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2[C@@H]2CCCC2(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| 155565451 | 175571 | 11 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 449 | 6 | 1 | 5 | 5.7 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(c1)OC[C@H]2CC(=O)O | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL4579901 | 175571 | 11 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 449 | 6 | 1 | 5 | 5.7 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(c1)OC[C@H]2CC(=O)O | 10.1016/j.ejmech.2018.12.069 | ||
| 118129981 | 159443 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 513 | 11 | 2 | 7 | 5.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OCCC(C)(C)O)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4101472 | 159443 | 0 | None | - | 1 | Rat | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 513 | 11 | 2 | 7 | 5.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OCCC(C)(C)O)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 162666840 | 182430 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4786299 | 182430 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| 118129998 | 157299 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 485 | 11 | 1 | 7 | 4.6 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OCCOC)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4077366 | 157299 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 485 | 11 | 1 | 7 | 4.6 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OCCOC)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 15604434 | 111778 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 488 | 8 | 1 | 6 | 6.3 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)O)c2ncco2)cc1 | 10.1021/ml400501x | ||
| CHEMBL3287575 | 111778 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 488 | 8 | 1 | 6 | 6.3 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)O)c2ncco2)cc1 | 10.1021/ml400501x | ||
| 127036829 | 137282 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 480 | 8 | 1 | 4 | 6.6 | Cn1ccnc1[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccc(Cl)cc3Cl)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3752487 | 137282 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 480 | 8 | 1 | 4 | 6.6 | Cn1ccnc1[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccc(Cl)cc3Cl)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL5268534 | 193545 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 510 | 7 | 1 | 5 | 5.4 | COc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1 | 10.1016/j.bmc.2023.117273 | ||
| 67072752 | 86500 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 289 | 4 | 1 | 2 | 3.2 | N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/ml4000673 | ||
| CHEMBL2315528 | 86500 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 289 | 4 | 1 | 2 | 3.2 | N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/ml4000673 | ||
| 127035637 | 137230 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 437 | 8 | 1 | 5 | 5.1 | Cn1ccnc1[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccccc3C#N)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3751968 | 137230 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 437 | 8 | 1 | 5 | 5.1 | Cn1ccnc1[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccccc3C#N)c2)cc1 | 10.1016/j.bmcl.2015.11.050 | ||
| 134139119 | 145961 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 511 | 12 | 1 | 5 | 5.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)S(=O)(=O)CC)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3918387 | 145961 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 511 | 12 | 1 | 5 | 5.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)S(=O)(=O)CC)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| 71257551 | 150569 | 24 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 475 | 9 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCCc4cccc(OC)c43)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL3955132 | 150569 | 24 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 475 | 9 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCCc4cccc(OC)c43)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 68194127 | 183171 | 0 | None | - | 1 | Mouse | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 498 | 8 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ncc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4795763 | 183171 | 0 | None | - | 1 | Mouse | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 498 | 8 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ncc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 24857286 | 1611 | 72 | None | 10 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acsmedchemlett.2c00160 | ||
| 6484 | 1611 | 72 | None | 10 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL1829174 | 1611 | 72 | None | 10 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acsmedchemlett.2c00160 | ||
| DB12491 | 1611 | 72 | None | 10 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acsmedchemlett.2c00160 | ||
| 134142245 | 145475 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 503 | 11 | 1 | 5 | 6.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CCOCC3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3914686 | 145475 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 503 | 11 | 1 | 5 | 6.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CCOCC3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| 134142149 | 145443 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 519 | 11 | 1 | 5 | 6.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CCSCC3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3914418 | 145443 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 519 | 11 | 1 | 5 | 6.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CCSCC3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| 68194743 | 182524 | 12 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 499 | 8 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4787498 | 182524 | 12 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 499 | 8 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL5267168 | 193487 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 415 | 6 | 2 | 8 | 4.1 | Cc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4ccc(C5CC5)cc4)n3)ccc12 | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5283407 | 194183 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 425 | 5 | 2 | 8 | 4.3 | Cc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4ccc5ccccc5c4)n3)ccc12 | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5279649 | 194009 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 432 | 8 | 2 | 7 | 3.4 | Cc1cccc(CCNc2nc(N)nc(COc3cc(C)cc(N4CCCC4=O)c3)n2)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5289306 | 194441 | 0 | None | - | 0 | Human | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 466 | 8 | 2 | 7 | 4.1 | Cc1cc(OCc2nc(N)nc(NCCc3ccc(C)c(Cl)c3)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| 156016727 | 177694 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 5.3 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4ccccc4F)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4642297 | 177694 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 5.3 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4ccccc4F)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL5280836 | 194064 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 541 | 7 | 2 | 8 | 3.9 | COc1cc(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)C4CC(=O)O)cc3)[C@H](N)C2)c(Cl)cn1 | 10.1016/j.ejmech.2018.04.061 | ||
| 156016929 | 177701 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 540 | 7 | 1 | 7 | 5.3 | COc1cc(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)C4CC(=O)O)cc3)C(C)C2)c(Cl)cn1 | 10.1016/j.bmc.2019.115263 | ||
| CHEMBL4642324 | 177701 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 540 | 7 | 1 | 7 | 5.3 | COc1cc(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)[C@@H](C)C4CC(=O)O)cc3)C(C)C2)c(Cl)cn1 | 10.1016/j.bmc.2019.115263 | ||
| CHEMBL5285725 | 194288 | 0 | None | - | 0 | Human | 4.2 | pEC50 | = | 4.2 | Binding | ChEMBL | 446 | 8 | 2 | 7 | 3.7 | Cc1cc(OCc2nc(N)nc(NCCc3ccc(C)cc3C)n2)cc(N2CCCC2=O)c1 | 10.1021/acsmedchemlett.2c00160 | ||
| 15603946 | 111631 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 501 | 8 | 1 | 6 | 6.1 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)O)c2nccn2C)cc1 | 10.1021/ml400501x | ||
| CHEMBL3286409 | 111631 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 501 | 8 | 1 | 6 | 6.1 | Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)O)c2nccn2C)cc1 | 10.1021/ml400501x | ||
| 58230598 | 183095 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 487 | 8 | 1 | 3 | 6.5 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1Cl | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4794904 | 183095 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 487 | 8 | 1 | 3 | 6.5 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1Cl | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL5267340 | 193497 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 600 | 10 | 1 | 5 | 7.0 | CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)[C@H](Cc3ccccc3)C2)c1 | 10.1016/j.bmc.2023.117273 | ||
| CHEMBL5286962 | 194343 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 438 | 6 | 2 | 7 | 4.2 | Cc1ccc(Nc2nc(N)nc(COc3cc(N4CCCC4=O)ccc3C)n2)cc1Cl | 10.1021/acsmedchemlett.2c00160 | ||
| 23136411 | 58802 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 332 | 7 | 1 | 2 | 5.0 | O=C(O)CCc1ccc(OCc2cccc(-c3ccccc3)c2)cc1 | 10.1016/j.bmc.2019.115263 | ||
| CHEMBL1688457 | 58802 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 332 | 7 | 1 | 2 | 5.0 | O=C(O)CCc1ccc(OCc2cccc(-c3ccccc3)c2)cc1 | 10.1016/j.bmc.2019.115263 | ||
| 127035639 | 137530 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 442 | 9 | 1 | 5 | 5.3 | COc1cccc(-c2cccc(COc3ccc([C@H](CC(=O)O)c4nccn4C)cc3)c2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3754524 | 137530 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 442 | 9 | 1 | 5 | 5.3 | COc1cccc(-c2cccc(COc3ccc([C@H](CC(=O)O)c4nccn4C)cc3)c2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| 57705880 | 111186 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 516 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2[C@@H]2CCCC2(C)C)c1 | 10.1021/ml4005123 | ||
| CHEMBL3264816 | 111186 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 516 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2[C@@H]2CCCC2(C)C)c1 | 10.1021/ml4005123 | ||
| 71575419 | 89943 | 0 | None | - | 0 | Rat | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 390 | 3 | 1 | 4 | 3.9 | O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1cccc(Br)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL2381282 | 89943 | 0 | None | - | 0 | Rat | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 390 | 3 | 1 | 4 | 3.9 | O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1cccc(Br)c1)O3 | 10.1016/j.bmcl.2013.03.060 | ||
| 8852666 | 192658 | 26 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 389 | 5 | 2 | 8 | 3.5 | Cc1ccccc1Nc1nc(N)nc(COc2ccc3c(C)cc(=O)oc3c2)n1 | 10.1016/j.ejmech.2022.114645 | ||
| CHEMBL5219102 | 192658 | 26 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 389 | 5 | 2 | 8 | 3.5 | Cc1ccccc1Nc1nc(N)nc(COc2ccc3c(C)cc(=O)oc3c2)n1 | 10.1016/j.ejmech.2022.114645 | ||
| CHEMBL5278642 | 193964 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 443 | 5 | 2 | 8 | 4.5 | Cc1cc(=O)oc2cc(OCc3nc(N)nc(Nc4ccc(Cl)c(Cl)c4)n3)ccc12 | 10.1021/acsmedchemlett.2c00160 | ||
| CHEMBL5268155 | 193525 | 0 | None | - | 0 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 407 | 6 | 2 | 8 | 3.2 | Cc1cc(=O)oc2cc(OCc3nc(N)nc(NCc4ccc(F)cc4)n3)ccc12 | 10.1021/acsmedchemlett.2c00160 | ||
| 156011880 | 177306 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 5.3 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4ccc(F)cc4)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4637214 | 177306 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 428 | 7 | 1 | 4 | 5.3 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4ccc(F)cc4)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| 127034370 | 138816 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 399 | 6 | 1 | 5 | 4.8 | Cc1nc(-c2ccc(F)cc2)sc1COc1ccc2c(c1)OCC2CC(=O)O | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL3781477 | 138816 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 399 | 6 | 1 | 5 | 4.8 | Cc1nc(-c2ccc(F)cc2)sc1COc1ccc2c(c1)OCC2CC(=O)O | 10.1016/j.ejmech.2018.12.069 | ||
| 57705648 | 90288 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 474 | 9 | 1 | 3 | 7.3 | COc1ccc(F)c(-c2ccc(COc3cccc(CCC(=O)O)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| CHEMBL2385475 | 90288 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 474 | 9 | 1 | 3 | 7.3 | COc1ccc(F)c(-c2ccc(COc3cccc(CCC(=O)O)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| 156016232 | 177748 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 446 | 7 | 1 | 4 | 5.4 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4ccc(F)cc4F)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4642960 | 177748 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 446 | 7 | 1 | 4 | 5.4 | CC#CC(CC(=O)O)c1ccc(OCc2ccn3cc(-c4ccc(F)cc4F)nc3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| 3893 | 2274 | 98 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| 4642 | 2274 | 98 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| 5534 | 2274 | 98 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL108766 | 2274 | 98 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| DB03017 | 2274 | 98 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| 156009878 | 177100 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 281 | 6 | 1 | 3 | 3.2 | N#Cc1ccccc1COc1ccc(CCC(=O)O)cc1 | 10.1016/j.bmc.2019.115263 | ||
| CHEMBL4633698 | 177100 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 281 | 6 | 1 | 3 | 3.2 | N#Cc1ccccc1COc1ccc(CCC(=O)O)cc1 | 10.1016/j.bmc.2019.115263 | ||
| 162676881 | 183561 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 536 | 9 | 1 | 4 | 6.6 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C(C)C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4800563 | 183561 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 536 | 9 | 1 | 4 | 6.6 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C(C)C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 24857286 | 1611 | 72 | None | - | 2 | Mouse | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| 6484 | 1611 | 72 | None | - | 2 | Mouse | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL1829174 | 1611 | 72 | None | - | 2 | Mouse | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| DB12491 | 1611 | 72 | None | - | 2 | Mouse | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| 134143418 | 145308 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 477 | 13 | 1 | 5 | 5.6 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(CCOC)Cc3ccsc3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3913383 | 145308 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 477 | 13 | 1 | 5 | 5.6 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(CCOC)Cc3ccsc3)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| 134137874 | 152957 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 461 | 11 | 1 | 4 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C(C)C)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3930086 | 152957 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 461 | 11 | 1 | 4 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C(C)C)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| CHEMBL3975239 | 152957 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 461 | 11 | 1 | 4 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C(C)C)c2)cc1 | 10.1021/acsmedchemlett.6b00331 | ||
| 51049992 | 145594 | 5 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL3915620 | 145594 | 5 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 46854655 | 394 | 47 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1016/j.bmcl.2015.11.050 | ||
| 6485 | 394 | 47 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL1829173 | 394 | 47 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1016/j.bmcl.2015.11.050 | ||
| 45254027 | 90276 | 10 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 514 | 7 | 1 | 3 | 7.7 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CC4)C[C@H]3C(=O)O)cc2[C@@H]2CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| CHEMBL2385460 | 90276 | 10 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 514 | 7 | 1 | 3 | 7.7 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CC4)C[C@H]3C(=O)O)cc2[C@@H]2CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| CHEMBL5278718 | 193968 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 424 | 6 | 2 | 7 | 3.9 | Cc1ccc(Nc2nc(N)nc(COc3cccc(N4CCCC4=O)c3)n2)cc1Cl | 10.1021/acsmedchemlett.2c00160 | ||
| 58380284 | 90274 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 498 | 7 | 1 | 3 | 7.2 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(C4)C[C@H]3C(=O)O)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| CHEMBL2385459 | 90274 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 498 | 7 | 1 | 3 | 7.2 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(C4)C[C@H]3C(=O)O)cc2C2=CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| 156021515 | 178114 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 446 | 7 | 1 | 4 | 5.4 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(F)cc4F)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4648621 | 178114 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 446 | 7 | 1 | 4 | 5.4 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(F)cc4F)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| 68194127 | 183171 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 498 | 8 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ncc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4795763 | 183171 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 498 | 8 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ncc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 57706902 | 111183 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 490 | 10 | 1 | 3 | 7.6 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2CC(C)(C)C)c1 | 10.1021/ml4005123 | ||
| CHEMBL3264813 | 111183 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 490 | 10 | 1 | 3 | 7.6 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2CC(C)(C)C)c1 | 10.1021/ml4005123 | ||
| 46854655 | 394 | 47 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1016/j.bmcl.2015.11.050 | ||
| 6485 | 394 | 47 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL1829173 | 394 | 47 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1016/j.bmcl.2015.11.050 | ||
| 127037608 | 137374 | 0 | None | - | 0 | Human | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 426 | 8 | 1 | 4 | 5.6 | Cc1ccccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3753265 | 137374 | 0 | None | - | 0 | Human | 4.1 | pEC50 | = | 4.1 | Binding | ChEMBL | 426 | 8 | 1 | 4 | 5.6 | Cc1ccccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)c1 | 10.1016/j.bmcl.2015.11.050 | ||
| 162674998 | 183367 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(F)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4798023 | 183367 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(F)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 24857286 | 1611 | 72 | None | 10 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00202 | ||
| 6484 | 1611 | 72 | None | 10 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL1829174 | 1611 | 72 | None | 10 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00202 | ||
| DB12491 | 1611 | 72 | None | 10 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00202 | ||
| 58380255 | 90278 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 528 | 7 | 1 | 3 | 8.1 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CCC4)C[C@H]3C(=O)O)cc2[C@@H]2CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| CHEMBL2385462 | 90278 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 528 | 7 | 1 | 3 | 8.1 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CCC4)C[C@H]3C(=O)O)cc2[C@@H]2CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| 57707110 | 111184 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 535 | 10 | 1 | 4 | 7.9 | COc1cc(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3F)cc2[C@@H]2CCCC2(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| CHEMBL3264814 | 111184 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 535 | 10 | 1 | 4 | 7.9 | COc1cc(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3F)cc2[C@@H]2CCCC2(C)C)c(F)cn1 | 10.1021/ml4005123 | ||
| 24857286 | 1611 | 72 | None | -10 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmcl.2013.03.060 | ||
| 6484 | 1611 | 72 | None | -10 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmcl.2013.03.060 | ||
| CHEMBL1829174 | 1611 | 72 | None | -10 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmcl.2013.03.060 | ||
| DB12491 | 1611 | 72 | None | -10 | 2 | Rat | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1016/j.bmcl.2013.03.060 | ||
| 127033818 | 138722 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 395 | 6 | 1 | 5 | 5.0 | Cc1ccc(-c2nc(C)c(COc3ccc4c(c3)OCC4CC(=O)O)s2)cc1 | 10.1016/j.ejmech.2018.12.069 | ||
| CHEMBL3780334 | 138722 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 395 | 6 | 1 | 5 | 5.0 | Cc1ccc(-c2nc(C)c(COc3ccc4c(c3)OCC4CC(=O)O)s2)cc1 | 10.1016/j.ejmech.2018.12.069 | ||
| 118129974 | 157170 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 575 | 12 | 1 | 8 | 5.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cc(OCCCS(C)(=O)=O)cc4C)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4075819 | 157170 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 575 | 12 | 1 | 8 | 5.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cc(OCCCS(C)(=O)=O)cc4C)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 127036960 | 137364 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 474 | 8 | 1 | 4 | 6.5 | Cc1cc(Cl)ccc1-c1cc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)ccc1C | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3753188 | 137364 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 474 | 8 | 1 | 4 | 6.5 | Cc1cc(Cl)ccc1-c1cc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)ccc1C | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL5274923 | 193806 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 460 | 6 | 2 | 8 | 3.3 | Cc1ccc(Nc2nc(N)nc(COc3cccc(N4CCCS4(=O)=O)c3)n2)cc1Cl | 10.1021/acsmedchemlett.2c00160 | ||
| 156009978 | 177074 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 410 | 7 | 1 | 4 | 5.2 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccccc4)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| CHEMBL4633252 | 177074 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 410 | 7 | 1 | 4 | 5.2 | CC#CC(CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccccc4)cn3c2)cc1 | 10.1016/j.bmc.2020.115574 | ||
| 58379717 | 90279 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 546 | 7 | 1 | 3 | 8.2 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3F)[C@]3(CCC4)C[C@H]3C(=O)O)cc2[C@@H]2CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| CHEMBL2385463 | 90279 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 546 | 7 | 1 | 3 | 8.2 | COc1ccc(F)c(-c2ccc(COc3ccc4c(c3F)[C@]3(CCC4)C[C@H]3C(=O)O)cc2[C@@H]2CCCC2(C)C)c1 | 10.1021/ml300427u | ||
| 118151370 | 159079 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 477 | 9 | 1 | 6 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OC(F)F)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4097527 | 159079 | 0 | None | - | 1 | Rat | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 477 | 9 | 1 | 6 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OC(F)F)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL5274742 | 193802 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 524 | 7 | 1 | 5 | 5.6 | COc1ccc(F)c(N2C[C@@H](C)[C@H](Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)[C@@H](C)C2)c1 | 10.1016/j.bmc.2023.117273 | ||
| 127036960 | 137364 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 474 | 8 | 1 | 4 | 6.5 | Cc1cc(Cl)ccc1-c1cc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)ccc1C | 10.1016/j.bmcl.2015.11.050 | ||
| CHEMBL3753188 | 137364 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 474 | 8 | 1 | 4 | 6.5 | Cc1cc(Cl)ccc1-c1cc(COc2ccc([C@H](CC(=O)O)c3nccn3C)cc2)ccc1C | 10.1016/j.bmcl.2015.11.050 | ||
| 54580627 | 62137 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 394 | 4 | 1 | 2 | 5.5 | CC#C[C@]1(c2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2)C[C@H]1C(=O)O | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777875 | 62137 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 394 | 4 | 1 | 2 | 5.5 | CC#C[C@]1(c2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2)C[C@H]1C(=O)O | 10.1016/j.bmcl.2011.03.114 | ||
| 53248846 | 62123 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 414 | 7 | 1 | 3 | 5.7 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777861 | 62123 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 414 | 7 | 1 | 3 | 5.7 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 54582629 | 62126 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 355 | 5 | 1 | 3 | 5.1 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)c3ccccc23)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777864 | 62126 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 355 | 5 | 1 | 3 | 5.1 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)c3ccccc23)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 54584572 | 62140 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 4.8 | CC#C[C@@H](c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)[C@H]1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777878 | 62140 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 4.8 | CC#C[C@@H](c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)[C@H]1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| 53248848 | 62138 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 4.8 | CC#CC(c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)C1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777876 | 62138 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 4.8 | CC#CC(c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)C1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| 127040096 | 136587 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 331 | 4 | 0 | 4 | 3.8 | Cc1cc(COc2ccc(F)c(F)c2F)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| CHEMBL3739712 | 136587 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 331 | 4 | 0 | 4 | 3.8 | Cc1cc(COc2ccc(F)c(F)c2F)nc(-c2ccccn2)n1 | 10.1039/C5MD00037H | ||
| 54586485 | 62127 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 6.2 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)c3ccccc23)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777865 | 62127 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 398 | 5 | 1 | 2 | 6.2 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)c3ccccc23)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 54586484 | 62124 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 339 | 5 | 1 | 3 | 4.6 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)cc2Cl)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777862 | 62124 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 339 | 5 | 1 | 3 | 4.6 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)cc2Cl)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 54583582 | 62134 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 431 | 6 | 1 | 4 | 6.2 | CC#CC(CC(=O)O)c1ccc(OC2CCCc3nc(-c4ccc(C)cc4)sc32)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777872 | 62134 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 431 | 6 | 1 | 4 | 6.2 | CC#CC(CC(=O)O)c1ccc(OC2CCCc3nc(-c4ccc(C)cc4)sc32)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 54584571 | 62139 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 4.8 | CC#C[C@H](c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)[C@H]1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777877 | 62139 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 4.8 | CC#C[C@H](c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1)[C@H]1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| 54583581 | 62130 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 307 | 5 | 1 | 5 | 2.7 | CC#CC(CC(=O)O)c1ccc(Oc2nccnc2C#N)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777868 | 62130 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 307 | 5 | 1 | 5 | 2.7 | CC#CC(CC(=O)O)c1ccc(Oc2nccnc2C#N)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 54582630 | 62128 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 383 | 5 | 1 | 3 | 5.1 | CC#CC(CC(=O)O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777866 | 62128 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 383 | 5 | 1 | 3 | 5.1 | CC#CC(CC(=O)O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 127041988 | 136809 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 421 | 7 | 0 | 6 | 3.7 | Fc1ccc(OCc2cc(OCC3(F)COC3)nc(-c3ccccn3)n2)c(F)c1F | 10.1039/C5MD00037H | ||
| CHEMBL3741735 | 136809 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 421 | 7 | 0 | 6 | 3.7 | Fc1ccc(OCc2cc(OCC3(F)COC3)nc(-c3ccccn3)n2)c(F)c1F | 10.1039/C5MD00037H | ||
| 54580625 | 62135 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 272 | 5 | 1 | 2 | 3.6 | CC#CC(CC(=O)O)c1ccc(OC2CCCC2)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777873 | 62135 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 272 | 5 | 1 | 2 | 3.6 | CC#CC(CC(=O)O)c1ccc(OC2CCCC2)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 54581633 | 62131 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 331 | 5 | 1 | 3 | 4.6 | CC#CC(CC(=O)O)c1ccc(Oc2nccc3ccccc23)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777869 | 62131 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 331 | 5 | 1 | 3 | 4.6 | CC#CC(CC(=O)O)c1ccc(Oc2nccc3ccccc23)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 54580626 | 62136 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 394 | 4 | 1 | 2 | 5.5 | CC#C[C@]1(c2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2)C[C@@H]1C(=O)O | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777874 | 62136 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 394 | 4 | 1 | 2 | 5.5 | CC#C[C@]1(c2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2)C[C@@H]1C(=O)O | 10.1016/j.bmcl.2011.03.114 | ||
| 54582628 | 62125 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 383 | 5 | 1 | 3 | 4.7 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)cc2Br)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777863 | 62125 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 383 | 5 | 1 | 3 | 4.7 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C#N)cc2Br)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 54580624 | 62122 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 362 | 5 | 1 | 2 | 5.4 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2C)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777860 | 62122 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 362 | 5 | 1 | 2 | 5.4 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2C)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 54586486 | 62132 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 320 | 5 | 1 | 2 | 4.3 | CC#CC(CC(=O)O)c1ccc(O[C@@H]2CCc3ccccc32)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777870 | 62132 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 320 | 5 | 1 | 2 | 4.3 | CC#CC(CC(=O)O)c1ccc(O[C@@H]2CCc3ccccc32)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 54582631 | 62129 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 360 | 5 | 1 | 4 | 3.6 | CC#CC(CC(=O)O)c1ccc(Oc2ncc(Br)cn2)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777867 | 62129 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 360 | 5 | 1 | 4 | 3.6 | CC#CC(CC(=O)O)c1ccc(Oc2ncc(Br)cn2)cc1 | 10.1016/j.bmcl.2011.03.114 | ||
| 54585512 | 62133 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 335 | 5 | 1 | 4 | 3.0 | CC#CC(c1ccc(OCc2ccccc2)cc1)C1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777871 | 62133 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 335 | 5 | 1 | 4 | 3.0 | CC#CC(c1ccc(OCc2ccccc2)cc1)C1OC(=O)NC1=O | 10.1016/j.bmcl.2011.03.114 | ||
| 53248847 | 62117 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 432 | 7 | 1 | 3 | 5.8 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1F | 10.1016/j.bmcl.2011.03.114 | ||
| CHEMBL1777855 | 62117 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 432 | 7 | 1 | 3 | 5.8 | CC#CC(CC(=O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2OC(F)F)cc1F | 10.1016/j.bmcl.2011.03.114 | ||
| 126961699 | 136655 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 411 | 5 | 0 | 6 | 3.9 | CC1(C#N)CN(c2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)C1 | 10.1039/C5MD00037H | ||
| CHEMBL3740291 | 136655 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 411 | 5 | 0 | 6 | 3.9 | CC1(C#N)CN(c2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)C1 | 10.1039/C5MD00037H | ||
| 16661950 | 137641 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 415 | 10 | 1 | 6 | 4.2 | CCOC(=O)CCCCCOc1ccc2cc(CC3SC(=O)NC3=O)ccc2c1 | 10.1016/j.ejmech.2015.12.049 | ||
| CHEMBL3758511 | 137641 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 415 | 10 | 1 | 6 | 4.2 | CCOC(=O)CCCCCOc1ccc2cc(CC3SC(=O)NC3=O)ccc2c1 | 10.1016/j.ejmech.2015.12.049 | ||
| 16058685 | 172535 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 229 | 7 | 1 | 3 | 3.1 | CCCCCCCCC1SC(=O)NC1=O | 10.1016/j.ejmech.2015.12.049 | ||
| CHEMBL448569 | 172535 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 229 | 7 | 1 | 3 | 3.1 | CCCCCCCCC1SC(=O)NC1=O | 10.1016/j.ejmech.2015.12.049 | ||
| 46854655 | 394 | 47 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00892 | ||
| 6485 | 394 | 47 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL1829173 | 394 | 47 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00892 | ||
| 24857286 | 1611 | 72 | None | 10 | 2 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.0c00843 | ||
| 6484 | 1611 | 72 | None | 10 | 2 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL1829174 | 1611 | 72 | None | 10 | 2 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.0c00843 | ||
| DB12491 | 1611 | 72 | None | 10 | 2 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.0c00843 | ||
| 52936292 | 182086 | 27 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 497 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4782004 | 182086 | 27 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 497 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 67087246 | 182853 | 5 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 493 | 8 | 1 | 3 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4791842 | 182853 | 5 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 493 | 8 | 1 | 3 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 51049992 | 145594 | 5 | None | - | 1 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL3915620 | 145594 | 5 | None | - | 1 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 68194743 | 182524 | 12 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 499 | 8 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4787498 | 182524 | 12 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 499 | 8 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 162644059 | 181800 | 0 | None | - | 1 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 440 | 8 | 1 | 7 | 4.6 | O=C(O)C[C@@H](c1ccc(OCc2ccc3nc(-c4ccccc4)nn3c2)cc1)c1ccon1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4778264 | 181800 | 0 | None | - | 1 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 440 | 8 | 1 | 7 | 4.6 | O=C(O)C[C@@H](c1ccc(OCc2ccc3nc(-c4ccccc4)nn3c2)cc1)c1ccon1 | 10.1021/acs.jmedchem.6b00892 | ||
| 127051856 | 140702 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 630 | 16 | 2 | 10 | 6.3 | Cc1cc(OCCOCCNc2ccc([N+](=O)[O-])c3nonc23)ccc1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL3817889 | 140702 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 630 | 16 | 2 | 10 | 6.3 | Cc1cc(OCCOCCNc2ccc([N+](=O)[O-])c3nonc23)ccc1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/acs.jmedchem.6b00202 | ||
| 24857286 | 1611 | 72 | None | 10 | 2 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| 6484 | 1611 | 72 | None | 10 | 2 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL1829174 | 1611 | 72 | None | 10 | 2 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| DB12491 | 1611 | 72 | None | 10 | 2 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| 57706778 | 80768 | 29 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| CHEMBL2152070 | 80768 | 29 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 514 | 10 | 1 | 3 | 8.3 | COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)O)C4CC4)c3)cc2C2=CCCC2(C)C)c1 | 10.1021/acs.jmedchem.0c00843 | ||
| 58230552 | 182195 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 471 | 8 | 1 | 3 | 6.0 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4783190 | 182195 | 0 | None | - | 1 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 471 | 8 | 1 | 3 | 6.0 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| 127051856 | 140702 | 0 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 630 | 16 | 2 | 10 | 6.3 | Cc1cc(OCCOCCNc2ccc([N+](=O)[O-])c3nonc23)ccc1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL3817889 | 140702 | 0 | None | - | 1 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 630 | 16 | 2 | 10 | 6.3 | Cc1cc(OCCOCCNc2ccc([N+](=O)[O-])c3nonc23)ccc1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/acs.jmedchem.6b00202 | ||
| 51357276 | 181983 | 0 | None | - | 1 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 508 | 8 | 1 | 4 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4780641 | 181983 | 0 | None | - | 1 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 508 | 8 | 1 | 4 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 162668378 | 182483 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 559 | 8 | 1 | 3 | 7.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4787010 | 182483 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 559 | 8 | 1 | 3 | 7.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 162673875 | 182962 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 505 | 8 | 1 | 3 | 6.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4793371 | 182962 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 505 | 8 | 1 | 3 | 6.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(C)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 67087095 | 183351 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 570 | 9 | 1 | 4 | 7.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(c3ccccc3)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4797858 | 183351 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 570 | 9 | 1 | 4 | 7.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(c3ccccc3)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 162674654 | 183431 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 525 | 8 | 1 | 3 | 7.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4798993 | 183431 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 525 | 8 | 1 | 3 | 7.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 67085761 | 157001 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 485 | 8 | 1 | 4 | 6.6 | Cc1cc(OCc2ccccc2)ccc1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4073525 | 157001 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 485 | 8 | 1 | 4 | 6.6 | Cc1cc(OCc2ccccc2)ccc1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 57413290 | 75797 | 0 | None | 2 | 2 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 448 | 12 | 1 | 4 | 6.0 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048617 | 75797 | 0 | None | 2 | 2 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 448 | 12 | 1 | 4 | 6.0 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| 23111682 | 74073 | 0 | None | -5 | 2 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 494 | 9 | 1 | 4 | 7.1 | Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022576 | 74073 | 0 | None | -5 | 2 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 494 | 9 | 1 | 4 | 7.1 | Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| 68194159 | 183037 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2sc(CN3CCC4(C=Cc5ccccc54)CC3)nc2C)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4794233 | 183037 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2sc(CN3CCC4(C=Cc5ccccc54)CC3)nc2C)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 23083015 | 75791 | 0 | None | -19 | 2 | Rat | 5.0 | pKi | = | 5 | Binding | ChEMBL | 390 | 8 | 1 | 3 | 5.6 | COc1ccc(-c2c(C)cccc2C)cc1COc1ccc(CCC(=O)O)cc1 | 10.1021/jm2016123 | ||
| CHEMBL2048611 | 75791 | 0 | None | -19 | 2 | Rat | 5.0 | pKi | = | 5 | Binding | ChEMBL | 390 | 8 | 1 | 3 | 5.6 | COc1ccc(-c2c(C)cccc2C)cc1COc1ccc(CCC(=O)O)cc1 | 10.1021/jm2016123 | ||
| 118129998 | 157299 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 485 | 11 | 1 | 7 | 4.6 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OCCOC)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4077366 | 157299 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 485 | 11 | 1 | 7 | 4.6 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OCCOC)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 57414677 | 75596 | 0 | None | 5 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 552 | 13 | 1 | 6 | 5.8 | CCc1cc(OCCCS(C)(=O)=O)cc(CC)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047164 | 75596 | 0 | None | 5 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 552 | 13 | 1 | 6 | 5.8 | CCc1cc(OCCCS(C)(=O)=O)cc(CC)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 51357276 | 181983 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 508 | 8 | 1 | 4 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4780641 | 181983 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 508 | 8 | 1 | 4 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 11271473 | 74443 | 0 | None | -2 | 2 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 475 | 11 | 2 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(CNc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022584 | 74443 | 0 | None | -2 | 2 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 475 | 11 | 2 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(CNc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2027975 | 74443 | 0 | None | -2 | 2 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 475 | 11 | 2 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(CNc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| 57414402 | 75585 | 0 | None | -4 | 2 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 488 | 9 | 1 | 5 | 5.9 | Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047152 | 75585 | 0 | None | -4 | 2 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 488 | 9 | 1 | 5 | 5.9 | Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 24857375 | 75601 | 0 | None | -5 | 2 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 558 | 11 | 1 | 6 | 6.0 | Cc1cc(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047169 | 75601 | 0 | None | -5 | 2 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 558 | 11 | 1 | 6 | 6.0 | Cc1cc(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 23111781 | 74021 | 0 | None | -6 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 388 | 6 | 1 | 3 | 5.5 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022247 | 74021 | 0 | None | -6 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 388 | 6 | 1 | 3 | 5.5 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| 23111781 | 74021 | 0 | None | -6 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 388 | 6 | 1 | 3 | 5.5 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| CHEMBL2022247 | 74021 | 0 | None | -6 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 388 | 6 | 1 | 3 | 5.5 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| 57414543 | 75594 | 0 | None | 30 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 529 | 9 | 1 | 6 | 7.2 | Cc1nc(C)c(COc2cc(C)c(-c3cccc(COc4ccc5c(c4)OC[C@H]5CC(=O)O)c3)c(C)c2)s1 | 10.1021/jm300170m | ||
| CHEMBL2047162 | 75594 | 0 | None | 30 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 529 | 9 | 1 | 6 | 7.2 | Cc1nc(C)c(COc2cc(C)c(-c3cccc(COc4ccc5c(c4)OC[C@H]5CC(=O)O)c3)c(C)c2)s1 | 10.1021/jm300170m | ||
| 24857376 | 75602 | 0 | None | 4 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 592 | 11 | 1 | 6 | 6.6 | Cc1c(Cl)c(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047170 | 75602 | 0 | None | 4 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 592 | 11 | 1 | 6 | 6.6 | Cc1c(Cl)c(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 57413373 | 75798 | 0 | None | -2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 466 | 12 | 1 | 4 | 6.1 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048618 | 75798 | 0 | None | -2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 466 | 12 | 1 | 4 | 6.1 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| 57413375 | 77190 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 485 | 9 | 1 | 4 | 7.2 | Cc1cccc(Oc2cc(C)c(-c3cccc(COc4ccc(CCC(=O)O)c(F)c4)c3)c(C)c2)n1 | 10.1021/jm2016123 | ||
| CHEMBL2048620 | 77190 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 485 | 9 | 1 | 4 | 7.2 | Cc1cccc(Oc2cc(C)c(-c3cccc(COc4ccc(CCC(=O)O)c(F)c4)c3)c(C)c2)n1 | 10.1021/jm2016123 | ||
| CHEMBL2079468 | 77190 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 485 | 9 | 1 | 4 | 7.2 | Cc1cccc(Oc2cc(C)c(-c3cccc(COc4ccc(CCC(=O)O)c(F)c4)c3)c(C)c2)n1 | 10.1021/jm2016123 | ||
| 57414679 | 75598 | 0 | None | -3 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 552 | 11 | 1 | 6 | 5.9 | Cc1c(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c(C)c1OCCCS(C)(=O)=O | 10.1021/jm300170m | ||
| CHEMBL2047166 | 75598 | 0 | None | -3 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 552 | 11 | 1 | 6 | 5.9 | Cc1c(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c(C)c1OCCCS(C)(=O)=O | 10.1021/jm300170m | ||
| 57413287 | 75792 | 0 | None | -1 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 408 | 8 | 1 | 3 | 5.7 | COc1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(-c2c(C)cccc2C)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048612 | 75792 | 0 | None | -1 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 408 | 8 | 1 | 3 | 5.7 | COc1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(-c2c(C)cccc2C)c1 | 10.1021/jm2016123 | ||
| 68194449 | 182790 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 498 | 8 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cnc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4790921 | 182790 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 498 | 8 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cnc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 57325674 | 74023 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 372 | 6 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022249 | 74023 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 372 | 6 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| 58218673 | 157501 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 413 | 5 | 1 | 3 | 5.7 | Cc1c(Cl)cccc1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4079930 | 157501 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 413 | 5 | 1 | 3 | 5.7 | Cc1c(Cl)cccc1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 162667620 | 182533 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4787628 | 182533 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| 23111693 | 74029 | 0 | None | 12 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 418 | 7 | 1 | 4 | 5.5 | COc1ccc(COc2ccc3c(c2)OCC3CC(=O)O)cc1-c1c(C)cccc1C | 10.1021/jm2012968 | ||
| CHEMBL2022255 | 74029 | 0 | None | 12 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 418 | 7 | 1 | 4 | 5.5 | COc1ccc(COc2ccc3c(c2)OCC3CC(=O)O)cc1-c1c(C)cccc1C | 10.1021/jm2012968 | ||
| 23111766 | 74032 | 0 | None | -3 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 402 | 6 | 1 | 3 | 5.8 | Cc1cc(C)c(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022258 | 74032 | 0 | None | -3 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 402 | 6 | 1 | 3 | 5.8 | Cc1cc(C)c(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| 68194127 | 183171 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 498 | 8 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ncc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4795763 | 183171 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 498 | 8 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ncc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 58218740 | 156421 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 315 | 5 | 1 | 3 | 4.1 | O=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2F)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4067052 | 156421 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 315 | 5 | 1 | 3 | 4.1 | O=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2F)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 58218551 | 159023 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 5 | 1 | 2 | 4.0 | Cc1ccccc1Cc1ccc(N2CCC[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4096887 | 159023 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 5 | 1 | 2 | 4.0 | Cc1ccccc1Cc1ccc(N2CCC[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 561372 | 58797 | 65 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 256 | 6 | 1 | 2 | 3.3 | O=C(O)CCc1ccc(OCc2ccccc2)cc1 | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL1688452 | 58797 | 65 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 256 | 6 | 1 | 2 | 3.3 | O=C(O)CCc1ccc(OCc2ccccc2)cc1 | 10.1021/acs.jmedchem.6b00202 | ||
| 67087173 | 182436 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 522 | 8 | 1 | 4 | 6.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4786335 | 182436 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 522 | 8 | 1 | 4 | 6.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 24857286 | 1611 | 72 | None | -10 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm300170m | ||
| 6484 | 1611 | 72 | None | -10 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm300170m | ||
| CHEMBL1829174 | 1611 | 72 | None | -10 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm300170m | ||
| DB12491 | 1611 | 72 | None | -10 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm300170m | ||
| 24857286 | 1611 | 72 | None | -10 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/ml1000855 | ||
| 6484 | 1611 | 72 | None | -10 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/ml1000855 | ||
| CHEMBL1829174 | 1611 | 72 | None | -10 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/ml1000855 | ||
| DB12491 | 1611 | 72 | None | -10 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/ml1000855 | ||
| 91809187 | 147099 | 13 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 439 | 7 | 1 | 5 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cccc4C)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL3927519 | 147099 | 13 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 439 | 7 | 1 | 5 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cccc4C)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 57414676 | 75595 | 0 | None | 12 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 6.7 | Cc1cc(OCc2cccc3nccn23)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047163 | 75595 | 0 | None | 12 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 6.7 | Cc1cc(OCc2cccc3nccn23)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 11190525 | 75796 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 466 | 10 | 1 | 3 | 7.1 | Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048616 | 75796 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 466 | 10 | 1 | 3 | 7.1 | Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm2016123 | ||
| 11226058 | 75801 | 0 | None | -3 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 514 | 12 | 1 | 5 | 5.5 | CCS(=O)(=O)CCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048622 | 75801 | 0 | None | -3 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 514 | 12 | 1 | 5 | 5.5 | CCS(=O)(=O)CCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| 57413289 | 75795 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 430 | 10 | 1 | 3 | 6.4 | Cc1cc(OCC2CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048615 | 75795 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 430 | 10 | 1 | 3 | 6.4 | Cc1cc(OCC2CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm2016123 | ||
| 11203294 | 75802 | 3 | None | -2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 526 | 9 | 1 | 5 | 5.7 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048623 | 75802 | 3 | None | -2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 526 | 9 | 1 | 5 | 5.7 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| 162676686 | 183462 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 523 | 8 | 1 | 5 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4799453 | 183462 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 523 | 8 | 1 | 5 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 11203294 | 75802 | 3 | None | -2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 526 | 9 | 1 | 5 | 5.7 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.6019/CHEMBL5058642 | ||
| CHEMBL2048623 | 75802 | 3 | None | -2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 526 | 9 | 1 | 5 | 5.7 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.6019/CHEMBL5058642 | ||
| 23111693 | 74029 | 0 | None | -12 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 418 | 7 | 1 | 4 | 5.5 | COc1ccc(COc2ccc3c(c2)OCC3CC(=O)O)cc1-c1c(C)cccc1C | 10.1021/jm2012968 | ||
| CHEMBL2022255 | 74029 | 0 | None | -12 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 418 | 7 | 1 | 4 | 5.5 | COc1ccc(COc2ccc3c(c2)OCC3CC(=O)O)cc1-c1c(C)cccc1C | 10.1021/jm2012968 | ||
| 23111689 | 74031 | 0 | None | -27 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 388 | 6 | 1 | 3 | 5.5 | Cc1ccc(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022257 | 74031 | 0 | None | -27 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 388 | 6 | 1 | 3 | 5.5 | Cc1ccc(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| 71457285 | 82628 | 27 | None | -4 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| CHEMBL2179472 | 82628 | 27 | None | -4 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| 23111781 | 74021 | 0 | None | 6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 388 | 6 | 1 | 3 | 5.5 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022247 | 74021 | 0 | None | 6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 388 | 6 | 1 | 3 | 5.5 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| 23111694 | 74030 | 0 | None | -24 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 494 | 9 | 1 | 4 | 7.1 | Cc1cccc(C)c1-c1cc(COc2ccc3c(c2)OCC3CC(=O)O)ccc1OCc1ccccc1 | 10.1021/jm2012968 | ||
| CHEMBL2022256 | 74030 | 0 | None | -24 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 494 | 9 | 1 | 4 | 7.1 | Cc1cccc(C)c1-c1cc(COc2ccc3c(c2)OCC3CC(=O)O)ccc1OCc1ccccc1 | 10.1021/jm2012968 | ||
| 57414405 | 75588 | 0 | None | -4 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 536 | 8 | 1 | 6 | 5.5 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047155 | 75588 | 0 | None | -4 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 536 | 8 | 1 | 6 | 5.5 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 24857285 | 75590 | 0 | None | -7 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 566 | 9 | 2 | 7 | 4.8 | Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047157 | 75590 | 0 | None | -7 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 566 | 9 | 2 | 7 | 4.8 | Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 57414539 | 75591 | 0 | None | -4 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | CCS(=O)(=O)CCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c1 | 10.1021/jm300170m | ||
| CHEMBL2047158 | 75591 | 0 | None | -4 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | CCS(=O)(=O)CCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c1 | 10.1021/jm300170m | ||
| 57414540 | 75593 | 0 | None | -5 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 529 | 11 | 1 | 5 | 5.9 | Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047160 | 75593 | 0 | None | -5 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 529 | 11 | 1 | 5 | 5.9 | Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 23111781 | 74021 | 0 | None | 6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 388 | 6 | 1 | 3 | 5.5 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| CHEMBL2022247 | 74021 | 0 | None | 6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 388 | 6 | 1 | 3 | 5.5 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| 23111682 | 74073 | 0 | None | 5 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 494 | 9 | 1 | 4 | 7.1 | Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022576 | 74073 | 0 | None | 5 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 494 | 9 | 1 | 4 | 7.1 | Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| 23642299 | 75600 | 1 | None | 11 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 542 | 11 | 1 | 6 | 5.5 | Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047168 | 75600 | 1 | None | 11 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 542 | 11 | 1 | 6 | 5.5 | Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 12002202 | 75805 | 0 | None | -3 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 525 | 9 | 2 | 5 | 5.7 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048626 | 75805 | 0 | None | -3 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 525 | 9 | 2 | 5 | 5.7 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| 23157282 | 77191 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 465 | 12 | 2 | 4 | 6.2 | CCOCCOc1cc(C)c(-c2cccc(CNc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048628 | 77191 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 465 | 12 | 2 | 4 | 6.2 | CCOCCOc1cc(C)c(-c2cccc(CNc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| CHEMBL2079469 | 77191 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 465 | 12 | 2 | 4 | 6.2 | CCOCCOc1cc(C)c(-c2cccc(CNc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| 58218694 | 158447 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 327 | 5 | 1 | 2 | 4.0 | Cc1ccccc1Cc1ccc(N2C[C@@H](F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4090766 | 158447 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 327 | 5 | 1 | 2 | 4.0 | Cc1ccccc1Cc1ccc(N2C[C@@H](F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 137653896 | 158521 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 326 | 6 | 1 | 4 | 3.4 | Cc1ccccc1COc1ccc(N2CCC[C@H]2CC(=O)O)cn1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4091552 | 158521 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 326 | 6 | 1 | 4 | 3.4 | Cc1ccccc1COc1ccc(N2CCC[C@H]2CC(=O)O)cn1 | 10.1021/acs.jmedchem.6b01559 | ||
| 24857375 | 75601 | 0 | None | 5 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 558 | 11 | 1 | 6 | 6.0 | Cc1cc(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047169 | 75601 | 0 | None | 5 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 558 | 11 | 1 | 6 | 6.0 | Cc1cc(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 11398822 | 75803 | 0 | None | -2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 556 | 10 | 2 | 6 | 5.0 | Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048624 | 75803 | 0 | None | -2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 556 | 10 | 2 | 6 | 5.0 | Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| 12002201 | 75806 | 1 | None | -4 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 555 | 10 | 3 | 6 | 5.1 | Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048627 | 75806 | 1 | None | -4 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 555 | 10 | 3 | 6 | 5.1 | Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| 57414676 | 75595 | 0 | None | -12 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 6.7 | Cc1cc(OCc2cccc3nccn23)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047163 | 75595 | 0 | None | -12 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 534 | 9 | 1 | 6 | 6.7 | Cc1cc(OCc2cccc3nccn23)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 46854655 | 394 | 47 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00892 | ||
| 6485 | 394 | 47 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL1829173 | 394 | 47 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00892 | ||
| 162664735 | 182062 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 521 | 9 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(OC)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4781604 | 182062 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 521 | 9 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(OC)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 67087100 | 182574 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 576 | 8 | 1 | 4 | 6.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C(F)(F)F)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4788206 | 182574 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 576 | 8 | 1 | 4 | 6.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(C(F)(F)F)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 11236925 | 75799 | 0 | None | -2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 478 | 9 | 1 | 4 | 6.3 | Cc1cc(OC2CCOCC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048619 | 75799 | 0 | None | -2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 478 | 9 | 1 | 4 | 6.3 | Cc1cc(OC2CCOCC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| 12002185 | 75804 | 0 | None | -4 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 513 | 12 | 2 | 5 | 5.6 | CCS(=O)(=O)CCOc1cc(C)c(-c2cccc(CNc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048625 | 75804 | 0 | None | -4 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 513 | 12 | 2 | 5 | 5.6 | CCS(=O)(=O)CCOc1cc(C)c(-c2cccc(CNc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| 68194476 | 182863 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 481 | 8 | 1 | 4 | 6.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)o2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4792075 | 182863 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 481 | 8 | 1 | 4 | 6.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)o2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 23111734 | 74074 | 0 | None | -7 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 476 | 11 | 1 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022577 | 74074 | 0 | None | -7 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 476 | 11 | 1 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| 23642299 | 75600 | 1 | None | -11 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 542 | 11 | 1 | 6 | 5.5 | Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047168 | 75600 | 1 | None | -11 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 542 | 11 | 1 | 6 | 5.5 | Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 58230598 | 183095 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 487 | 8 | 1 | 3 | 6.5 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1Cl | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4794904 | 183095 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 487 | 8 | 1 | 3 | 6.5 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1Cl | 10.1021/acs.jmedchem.6b00892 | ||
| 67072752 | 86500 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 289 | 4 | 1 | 2 | 3.2 | N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL2315528 | 86500 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 289 | 4 | 1 | 2 | 3.2 | N#CCc1ccccc1C#Cc1ccc(CCC(=O)O)cc1 | 10.1021/acs.jmedchem.6b00202 | ||
| 57414401 | 75584 | 0 | None | 3 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 488 | 9 | 1 | 5 | 5.9 | Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047151 | 75584 | 0 | None | 3 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 488 | 9 | 1 | 5 | 5.9 | Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 11489259 | 75800 | 0 | None | -2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 519 | 12 | 1 | 4 | 6.1 | Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048621 | 75800 | 0 | None | -2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 519 | 12 | 1 | 4 | 6.1 | Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| 23111668 | 74017 | 0 | None | 2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 386 | 6 | 1 | 2 | 6.1 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022243 | 74017 | 0 | None | 2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 386 | 6 | 1 | 2 | 6.1 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| 57414404 | 75587 | 0 | None | -2 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 536 | 8 | 1 | 6 | 5.5 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047154 | 75587 | 0 | None | -2 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 536 | 8 | 1 | 6 | 5.5 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 23111668 | 74017 | 0 | None | 2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 386 | 6 | 1 | 2 | 6.1 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCC3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| CHEMBL2022243 | 74017 | 0 | None | 2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 386 | 6 | 1 | 2 | 6.1 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCC3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| 57325916 | 74078 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 488 | 11 | 1 | 4 | 6.5 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)CCC(CC(=O)O)C4)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022581 | 74078 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 488 | 11 | 1 | 4 | 6.5 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)CCC(CC(=O)O)C4)c2)c(C)c1 | 10.1021/jm2012968 | ||
| 1050 | 1889 | 94 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/acs.jmedchem.6b00202 | ||
| 11595431 | 1889 | 94 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL207881 | 1889 | 94 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 347 | 8 | 2 | 3 | 5.1 | OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1 | 10.1021/acs.jmedchem.6b00202 | ||
| 57414403 | 75586 | 0 | None | -8 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 488 | 9 | 1 | 5 | 5.9 | Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047153 | 75586 | 0 | None | -8 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 488 | 9 | 1 | 5 | 5.9 | Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 57414267 | 75582 | 0 | None | 10 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 476 | 11 | 1 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c1 | 10.1021/jm300170m | ||
| CHEMBL2047149 | 75582 | 0 | None | 10 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 476 | 11 | 1 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c1 | 10.1021/jm300170m | ||
| 57413290 | 75797 | 0 | None | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 448 | 12 | 1 | 4 | 6.0 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048617 | 75797 | 0 | None | -2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 448 | 12 | 1 | 4 | 6.0 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| CHEMBL5075693 | 214367 | 3 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | Cc1cc(OCCC(C)(C)O)cc(C)c1-c1ccc(F)c2c1CC[C@H]2Oc1ccc2c(c1)OC[C@H]2CC(=O)O | 10.6019/CHEMBL5058643 | ||||
| 137649008 | 157122 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 323 | 5 | 1 | 2 | 4.4 | Cc1ccccc1Cc1ccc(N2CCC[C@@]2(C)CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4075190 | 157122 | 0 | None | - | 1 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 323 | 5 | 1 | 2 | 4.4 | Cc1ccccc1Cc1ccc(N2CCC[C@@]2(C)CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 24857285 | 75590 | 0 | None | 7 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 566 | 9 | 2 | 7 | 4.8 | Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047157 | 75590 | 0 | None | 7 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 566 | 9 | 2 | 7 | 4.8 | Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 57414267 | 75582 | 0 | None | -10 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 476 | 11 | 1 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c1 | 10.1021/jm300170m | ||
| CHEMBL2047149 | 75582 | 0 | None | -10 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 476 | 11 | 1 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c1 | 10.1021/jm300170m | ||
| 23111754 | 74019 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 414 | 6 | 1 | 2 | 6.8 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCCCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022245 | 74019 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 414 | 6 | 1 | 2 | 6.8 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCCCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| 23111754 | 74019 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 414 | 6 | 1 | 2 | 6.8 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCCCC3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| CHEMBL2022245 | 74019 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 414 | 6 | 1 | 2 | 6.8 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCCCC3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| 57414402 | 75585 | 0 | None | 4 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 488 | 9 | 1 | 5 | 5.9 | Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047152 | 75585 | 0 | None | 4 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 488 | 9 | 1 | 5 | 5.9 | Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 57413288 | 75794 | 0 | None | -4 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 390 | 8 | 1 | 3 | 5.6 | COc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048614 | 75794 | 0 | None | -4 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 390 | 8 | 1 | 3 | 5.6 | COc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| 71257551 | 150569 | 24 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 475 | 9 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCCc4cccc(OC)c43)s2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL3955132 | 150569 | 24 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 475 | 9 | 1 | 5 | 5.9 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCCc4cccc(OC)c43)s2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 11674915 | 58832 | 1 | None | 1 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 360 | 7 | 1 | 2 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm2016123 | ||
| CHEMBL1688486 | 58832 | 1 | None | 1 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 360 | 7 | 1 | 2 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm2016123 | ||
| 11327107 | 74022 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 402 | 5 | 1 | 3 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)OCCC(C(=O)O)C3)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022248 | 74022 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 402 | 5 | 1 | 3 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)OCCC(C(=O)O)C3)c1 | 10.1021/jm2012968 | ||
| 57325841 | 74076 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 474 | 11 | 1 | 4 | 6.2 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)CC(CC(=O)O)C4)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022579 | 74076 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 474 | 11 | 1 | 4 | 6.2 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)CC(CC(=O)O)C4)c2)c(C)c1 | 10.1021/jm2012968 | ||
| 57414403 | 75586 | 0 | None | 8 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 488 | 9 | 1 | 5 | 5.9 | Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047153 | 75586 | 0 | None | 8 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 488 | 9 | 1 | 5 | 5.9 | Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 57414680 | 75599 | 0 | None | -8 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 554 | 8 | 1 | 6 | 5.6 | Cc1cc(OC2CCS(=O)(=O)CC2)c(F)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047167 | 75599 | 0 | None | -8 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 554 | 8 | 1 | 6 | 5.6 | Cc1cc(OC2CCS(=O)(=O)CC2)c(F)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 11327107 | 74022 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 402 | 5 | 1 | 3 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)OCCC(C(=O)O)C3)c1 | 10.1021/ml1000855 | ||
| CHEMBL2022248 | 74022 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 402 | 5 | 1 | 3 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)OCCC(C(=O)O)C3)c1 | 10.1021/ml1000855 | ||
| 24857286 | 1611 | 72 | None | 10 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00202 | ||
| 6484 | 1611 | 72 | None | 10 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL1829174 | 1611 | 72 | None | 10 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00202 | ||
| DB12491 | 1611 | 72 | None | 10 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00202 | ||
| 57325842 | 74077 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 474 | 10 | 1 | 4 | 6.2 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)CCC(C(=O)O)C4)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022580 | 74077 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 474 | 10 | 1 | 4 | 6.2 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)CCC(C(=O)O)C4)c2)c(C)c1 | 10.1021/jm2012968 | ||
| 57414268 | 75583 | 0 | None | 26 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 476 | 11 | 1 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@@H]4CC(=O)O)c2)c(C)c1 | 10.1021/jm300170m | ||
| CHEMBL2047150 | 75583 | 0 | None | 26 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 476 | 11 | 1 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@@H]4CC(=O)O)c2)c(C)c1 | 10.1021/jm300170m | ||
| 67087160 | 182320 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 538 | 9 | 1 | 5 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(OC)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4784555 | 182320 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 538 | 9 | 1 | 5 | 5.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccc(OC)cc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 23111666 | 74027 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 416 | 6 | 1 | 4 | 6.1 | O=C(O)CC1COc2cc(OCc3cccc(-c4csc5ccccc45)c3)ccc21 | 10.1021/jm2012968 | ||
| CHEMBL2022253 | 74027 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 416 | 6 | 1 | 4 | 6.1 | O=C(O)CC1COc2cc(OCc3cccc(-c4csc5ccccc45)c3)ccc21 | 10.1021/jm2012968 | ||
| 67087041 | 182347 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 542 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3c(Cl)cccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4785057 | 182347 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 542 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3c(Cl)cccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 68194465 | 183282 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 511 | 8 | 1 | 4 | 6.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4797124 | 183282 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 511 | 8 | 1 | 4 | 6.8 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 23083189 | 75790 | 0 | None | 1 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 374 | 7 | 1 | 2 | 5.9 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1C | 10.1021/jm2016123 | ||
| CHEMBL2048610 | 75790 | 0 | None | 1 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 374 | 7 | 1 | 2 | 5.9 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1C | 10.1021/jm2016123 | ||
| 57414538 | 75589 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 536 | 8 | 1 | 6 | 5.5 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047156 | 75589 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 536 | 8 | 1 | 6 | 5.5 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 23111734 | 74074 | 0 | None | -7 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 476 | 11 | 1 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm300170m | ||
| CHEMBL2022577 | 74074 | 0 | None | -7 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 476 | 11 | 1 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm300170m | ||
| 57414540 | 75593 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 529 | 11 | 1 | 5 | 5.9 | Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047160 | 75593 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 529 | 11 | 1 | 5 | 5.9 | Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 57414680 | 75599 | 0 | None | 8 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 554 | 8 | 1 | 6 | 5.6 | Cc1cc(OC2CCS(=O)(=O)CC2)c(F)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047167 | 75599 | 0 | None | 8 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 554 | 8 | 1 | 6 | 5.6 | Cc1cc(OC2CCS(=O)(=O)CC2)c(F)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 137638269 | 156852 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 7 | 1 | 3 | 5.8 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4CCC[C@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4071899 | 156852 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 7 | 1 | 3 | 5.8 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4CCC[C@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 58218640 | 158898 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 323 | 5 | 1 | 2 | 4.3 | Cc1ccccc1Cc1ccc(N2CC[C@H](C)[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4095599 | 158898 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 323 | 5 | 1 | 2 | 4.3 | Cc1ccccc1Cc1ccc(N2CC[C@H](C)[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 132578495 | 182862 | 2 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4792027 | 182862 | 2 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 118129999 | 157743 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 453 | 8 | 1 | 5 | 5.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C(C)C)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4082711 | 157743 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 453 | 8 | 1 | 5 | 5.7 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C(C)C)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 51350138 | 58819 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2012968 | ||
| CHEMBL1688473 | 58819 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2012968 | ||
| 23111734 | 74074 | 0 | None | 7 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 476 | 11 | 1 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022577 | 74074 | 0 | None | 7 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 476 | 11 | 1 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| 23111734 | 74074 | 0 | None | 7 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 476 | 11 | 1 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm300170m | ||
| CHEMBL2022577 | 74074 | 0 | None | 7 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 476 | 11 | 1 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm300170m | ||
| 51350138 | 58819 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| CHEMBL1688473 | 58819 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| 51350138 | 58819 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/ml1000855 | ||
| CHEMBL1688473 | 58819 | 0 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/ml1000855 | ||
| 57414679 | 75598 | 0 | None | 3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 552 | 11 | 1 | 6 | 5.9 | Cc1c(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c(C)c1OCCCS(C)(=O)=O | 10.1021/jm300170m | ||
| CHEMBL2047166 | 75598 | 0 | None | 3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 552 | 11 | 1 | 6 | 5.9 | Cc1c(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c(C)c1OCCCS(C)(=O)=O | 10.1021/jm300170m | ||
| 58218651 | 158295 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 379 | 5 | 1 | 3 | 5.0 | Cc1ccccc1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4089171 | 158295 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 379 | 5 | 1 | 3 | 5.0 | Cc1ccccc1Oc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 118129979 | 155770 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 436 | 7 | 1 | 6 | 4.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C#N)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4059614 | 155770 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 436 | 7 | 1 | 6 | 4.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(C#N)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 23111766 | 74032 | 0 | None | 3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 402 | 6 | 1 | 3 | 5.8 | Cc1cc(C)c(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022258 | 74032 | 0 | None | 3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 402 | 6 | 1 | 3 | 5.8 | Cc1cc(C)c(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| 57414405 | 75588 | 0 | None | 4 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 536 | 8 | 1 | 6 | 5.5 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047155 | 75588 | 0 | None | 4 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 536 | 8 | 1 | 6 | 5.5 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 51350138 | 58819 | 0 | None | -1 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| CHEMBL1688473 | 58819 | 0 | None | -1 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| 58218607 | 155916 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 323 | 5 | 1 | 2 | 4.3 | Cc1ccccc1Cc1ccc(N2C[C@@H](C)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4061093 | 155916 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 323 | 5 | 1 | 2 | 4.3 | Cc1ccccc1Cc1ccc(N2C[C@@H](C)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 57414543 | 75594 | 0 | None | -30 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 529 | 9 | 1 | 6 | 7.2 | Cc1nc(C)c(COc2cc(C)c(-c3cccc(COc4ccc5c(c4)OC[C@H]5CC(=O)O)c3)c(C)c2)s1 | 10.1021/jm300170m | ||
| CHEMBL2047162 | 75594 | 0 | None | -30 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 529 | 9 | 1 | 6 | 7.2 | Cc1nc(C)c(COc2cc(C)c(-c3cccc(COc4ccc5c(c4)OC[C@H]5CC(=O)O)c3)c(C)c2)s1 | 10.1021/jm300170m | ||
| 118129981 | 159443 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 513 | 11 | 2 | 7 | 5.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OCCC(C)(C)O)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4101472 | 159443 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 513 | 11 | 2 | 7 | 5.1 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OCCC(C)(C)O)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 57414539 | 75591 | 0 | None | 4 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | CCS(=O)(=O)CCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c1 | 10.1021/jm300170m | ||
| CHEMBL2047158 | 75591 | 0 | None | 4 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | CCS(=O)(=O)CCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c1 | 10.1021/jm300170m | ||
| 71457285 | 82628 | 27 | None | 4 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| CHEMBL2179472 | 82628 | 27 | None | 4 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| 23111704 | 74018 | 0 | None | -63 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 400 | 6 | 1 | 2 | 6.4 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022244 | 74018 | 0 | None | -63 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 400 | 6 | 1 | 2 | 6.4 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| 23111704 | 74018 | 0 | None | -63 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 400 | 6 | 1 | 2 | 6.4 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCCC3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| CHEMBL2022244 | 74018 | 0 | None | -63 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 400 | 6 | 1 | 2 | 6.4 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCCC3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| 24857286 | 1611 | 72 | None | 10 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm300170m | ||
| 6484 | 1611 | 72 | None | 10 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm300170m | ||
| CHEMBL1829174 | 1611 | 72 | None | 10 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm300170m | ||
| DB12491 | 1611 | 72 | None | 10 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/jm300170m | ||
| 24857286 | 1611 | 72 | None | 10 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/ml1000855 | ||
| 6484 | 1611 | 72 | None | 10 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/ml1000855 | ||
| CHEMBL1829174 | 1611 | 72 | None | 10 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/ml1000855 | ||
| DB12491 | 1611 | 72 | None | 10 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/ml1000855 | ||
| 51031010 | 156607 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 409 | 6 | 1 | 4 | 5.0 | COc1ccc(Oc2ccc(N3C[C@@H](C(F)(F)F)C[C@H]3CC(=O)O)cc2)c(C)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4069191 | 156607 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 409 | 6 | 1 | 4 | 5.0 | COc1ccc(Oc2ccc(N3C[C@@H](C(F)(F)F)C[C@H]3CC(=O)O)cc2)c(C)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 57325917 | 74079 | 0 | None | -5 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 476 | 11 | 1 | 5 | 6.0 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)COC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022582 | 74079 | 0 | None | -5 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 476 | 11 | 1 | 5 | 6.0 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)COC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| 162674998 | 183367 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(F)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4798023 | 183367 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)c(F)c2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 162676881 | 183561 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 536 | 9 | 1 | 4 | 6.6 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C(C)C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4800563 | 183561 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 536 | 9 | 1 | 4 | 6.6 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C(C)C)c3ccccc34)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 11226058 | 75801 | 0 | None | 3 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 514 | 12 | 1 | 5 | 5.5 | CCS(=O)(=O)CCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048622 | 75801 | 0 | None | 3 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 514 | 12 | 1 | 5 | 5.5 | CCS(=O)(=O)CCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| 60195125 | 3857 | 8 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 499 | 12 | 2 | 5 | 5.2 | OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00202 | ||
| 9149 | 3857 | 8 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 499 | 12 | 2 | 5 | 5.2 | OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL2164242 | 3857 | 8 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 499 | 12 | 2 | 5 | 5.2 | OC(=O)CCc1ccc(cc1F)NCc1cccc(c1)c1ccc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00202 | ||
| 57413373 | 75798 | 0 | None | 2 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 466 | 12 | 1 | 4 | 6.1 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048618 | 75798 | 0 | None | 2 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 466 | 12 | 1 | 4 | 6.1 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| 12002185 | 75804 | 0 | None | 4 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 513 | 12 | 2 | 5 | 5.6 | CCS(=O)(=O)CCOc1cc(C)c(-c2cccc(CNc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048625 | 75804 | 0 | None | 4 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 513 | 12 | 2 | 5 | 5.6 | CCS(=O)(=O)CCOc1cc(C)c(-c2cccc(CNc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| 12002201 | 75806 | 1 | None | 4 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 555 | 10 | 3 | 6 | 5.1 | Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048627 | 75806 | 1 | None | 4 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 555 | 10 | 3 | 6 | 5.1 | Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| 67087246 | 182853 | 5 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 493 | 8 | 1 | 3 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4791842 | 182853 | 5 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 493 | 8 | 1 | 3 | 6.3 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 51049992 | 145594 | 5 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL3915620 | 145594 | 5 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 51049992 | 145594 | 5 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL3915620 | 145594 | 5 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 491 | 8 | 1 | 3 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 52936292 | 182086 | 27 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 497 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4782004 | 182086 | 27 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 497 | 8 | 1 | 4 | 6.5 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 57414678 | 75597 | 0 | None | 10 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 564 | 8 | 1 | 6 | 6.1 | Cc1c(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c(C)c1OC1CCS(=O)(=O)CC1 | 10.1021/jm300170m | ||
| CHEMBL2047165 | 75597 | 0 | None | 10 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 564 | 8 | 1 | 6 | 6.1 | Cc1c(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c(C)c1OC1CCS(=O)(=O)CC1 | 10.1021/jm300170m | ||
| 57414678 | 75597 | 0 | None | -10 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 564 | 8 | 1 | 6 | 6.1 | Cc1c(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c(C)c1OC1CCS(=O)(=O)CC1 | 10.1021/jm300170m | ||
| CHEMBL2047165 | 75597 | 0 | None | -10 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 564 | 8 | 1 | 6 | 6.1 | Cc1c(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)O)c2)c(C)c(C)c1OC1CCS(=O)(=O)CC1 | 10.1021/jm300170m | ||
| 23111791 | 74026 | 0 | None | 11 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 424 | 6 | 1 | 3 | 6.3 | Cc1ccc2ccccc2c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022252 | 74026 | 0 | None | 11 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 424 | 6 | 1 | 3 | 6.3 | Cc1ccc2ccccc2c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| 46854655 | 394 | 47 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| 6485 | 394 | 47 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL1829173 | 394 | 47 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 438 | 7 | 1 | 2 | 6.5 | CC#C[C@H](c1ccc(cc1)OCc1cccc(c1)c1ccc(cc1)C(F)(F)F)CC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| 162666840 | 182430 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4786299 | 182430 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 509 | 8 | 1 | 3 | 6.5 | CC#C[C@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| 11271473 | 74443 | 0 | None | 2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 475 | 11 | 2 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(CNc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022584 | 74443 | 0 | None | 2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 475 | 11 | 2 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(CNc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2027975 | 74443 | 0 | None | 2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 475 | 11 | 2 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(CNc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| 58218638 | 157412 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 311 | 5 | 1 | 3 | 4.2 | Cc1ccccc1Oc1ccc(N2CCC[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4078852 | 157412 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 311 | 5 | 1 | 3 | 4.2 | Cc1ccccc1Oc1ccc(N2CCC[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 132606864 | 157722 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@@H](C(F)(F)F)C[C@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4082395 | 157722 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 501 | 7 | 1 | 3 | 6.6 | COc1ccc(F)c(-c2ccc(Cc3ccc(N4C[C@@H](C(F)(F)F)C[C@H]4CC(=O)O)cc3)c(C)c2)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 11674915 | 58832 | 1 | None | -1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 360 | 7 | 1 | 2 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm2016123 | ||
| CHEMBL1688486 | 58832 | 1 | None | -1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 360 | 7 | 1 | 2 | 5.6 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm2016123 | ||
| 23082877 | 75793 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 390 | 8 | 1 | 3 | 5.6 | COc1ccc(COc2ccc(CCC(=O)O)cc2)cc1-c1c(C)cccc1C | 10.1021/jm2016123 | ||
| CHEMBL2048613 | 75793 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 390 | 8 | 1 | 3 | 5.6 | COc1ccc(COc2ccc(CCC(=O)O)cc2)cc1-c1c(C)cccc1C | 10.1021/jm2016123 | ||
| 23111791 | 74026 | 0 | None | -11 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 424 | 6 | 1 | 3 | 6.3 | Cc1ccc2ccccc2c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022252 | 74026 | 0 | None | -11 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 424 | 6 | 1 | 3 | 6.3 | Cc1ccc2ccccc2c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| 137636358 | 155862 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 517 | 8 | 1 | 4 | 6.8 | COc1ccc(F)c(Cc2cccc(Oc3ccc(N4C[C@@H](C(F)(F)F)C[C@H]4CC(=O)O)cc3)c2C)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4060499 | 155862 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 517 | 8 | 1 | 4 | 6.8 | COc1ccc(F)c(Cc2cccc(Oc3ccc(N4C[C@@H](C(F)(F)F)C[C@H]4CC(=O)O)cc3)c2C)c1 | 10.1021/acs.jmedchem.6b01559 | ||
| 12002202 | 75805 | 0 | None | 3 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 525 | 9 | 2 | 5 | 5.7 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048626 | 75805 | 0 | None | 3 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 525 | 9 | 2 | 5 | 5.7 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| 57413289 | 75795 | 0 | None | 2 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 430 | 10 | 1 | 3 | 6.4 | Cc1cc(OCC2CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048615 | 75795 | 0 | None | 2 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 430 | 10 | 1 | 3 | 6.4 | Cc1cc(OCC2CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm2016123 | ||
| 46941175 | 61782 | 26 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 7 | 2 | 2 | 5.3 | Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL1773261 | 61782 | 26 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 345 | 7 | 2 | 2 | 5.3 | Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 | 10.1021/acs.jmedchem.6b00202 | ||
| 57414538 | 75589 | 0 | None | -1 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 536 | 8 | 1 | 6 | 5.5 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047156 | 75589 | 0 | None | -1 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 536 | 8 | 1 | 6 | 5.5 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 23111668 | 74017 | 0 | None | -2 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 386 | 6 | 1 | 2 | 6.1 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022243 | 74017 | 0 | None | -2 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 386 | 6 | 1 | 2 | 6.1 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| 23083015 | 75791 | 0 | None | 19 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 390 | 8 | 1 | 3 | 5.6 | COc1ccc(-c2c(C)cccc2C)cc1COc1ccc(CCC(=O)O)cc1 | 10.1021/jm2016123 | ||
| CHEMBL2048611 | 75791 | 0 | None | 19 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 390 | 8 | 1 | 3 | 5.6 | COc1ccc(-c2c(C)cccc2C)cc1COc1ccc(CCC(=O)O)cc1 | 10.1021/jm2016123 | ||
| 23111668 | 74017 | 0 | None | -2 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 386 | 6 | 1 | 2 | 6.1 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCC3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| CHEMBL2022243 | 74017 | 0 | None | -2 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 386 | 6 | 1 | 2 | 6.1 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCC3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| 51350138 | 58819 | 0 | None | -1 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2012968 | ||
| CHEMBL1688473 | 58819 | 0 | None | -1 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2012968 | ||
| 51350138 | 58819 | 0 | None | -1 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/ml1000855 | ||
| CHEMBL1688473 | 58819 | 0 | None | -1 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 378 | 7 | 1 | 2 | 5.7 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/ml1000855 | ||
| 57414677 | 75596 | 0 | None | -5 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 552 | 13 | 1 | 6 | 5.8 | CCc1cc(OCCCS(C)(=O)=O)cc(CC)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047164 | 75596 | 0 | None | -5 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 552 | 13 | 1 | 6 | 5.8 | CCc1cc(OCCCS(C)(=O)=O)cc(CC)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 23111689 | 74031 | 0 | None | 27 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 388 | 6 | 1 | 3 | 5.5 | Cc1ccc(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022257 | 74031 | 0 | None | 27 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 388 | 6 | 1 | 3 | 5.5 | Cc1ccc(-c2cccc(COc3ccc4c(c3)OCC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| 23111671 | 74028 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 416 | 6 | 1 | 4 | 6.1 | O=C(O)CC1COc2cc(OCc3cccc(-c4ccc5sccc5c4)c3)ccc21 | 10.1021/jm2012968 | ||
| CHEMBL2022254 | 74028 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 416 | 6 | 1 | 4 | 6.1 | O=C(O)CC1COc2cc(OCc3cccc(-c4ccc5sccc5c4)c3)ccc21 | 10.1021/jm2012968 | ||
| 23083189 | 75790 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 374 | 7 | 1 | 2 | 5.9 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1C | 10.1021/jm2016123 | ||
| CHEMBL2048610 | 75790 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 374 | 7 | 1 | 2 | 5.9 | Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1C | 10.1021/jm2016123 | ||
| 23111704 | 74018 | 0 | None | 63 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 400 | 6 | 1 | 2 | 6.4 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022244 | 74018 | 0 | None | 63 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 400 | 6 | 1 | 2 | 6.4 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCCC3CC(=O)O)c1 | 10.1021/jm2012968 | ||
| 24857376 | 75602 | 0 | None | -4 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 592 | 11 | 1 | 6 | 6.6 | Cc1c(Cl)c(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047170 | 75602 | 0 | None | -4 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 592 | 11 | 1 | 6 | 6.6 | Cc1c(Cl)c(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 23111704 | 74018 | 0 | None | 63 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 400 | 6 | 1 | 2 | 6.4 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCCC3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| CHEMBL2022244 | 74018 | 0 | None | 63 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 400 | 6 | 1 | 2 | 6.4 | Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CCCC3CC(=O)O)c1 | 10.1021/ml1000855 | ||
| 68194237 | 182182 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2nc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4783033 | 182182 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 512 | 8 | 1 | 5 | 6.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2nc(C)c(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 57413288 | 75794 | 0 | None | 4 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 390 | 8 | 1 | 3 | 5.6 | COc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048614 | 75794 | 0 | None | 4 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 390 | 8 | 1 | 3 | 5.6 | COc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| 23157282 | 77191 | 0 | None | 2 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 465 | 12 | 2 | 4 | 6.2 | CCOCCOc1cc(C)c(-c2cccc(CNc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048628 | 77191 | 0 | None | 2 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 465 | 12 | 2 | 4 | 6.2 | CCOCCOc1cc(C)c(-c2cccc(CNc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| CHEMBL2079469 | 77191 | 0 | None | 2 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 465 | 12 | 2 | 4 | 6.2 | CCOCCOc1cc(C)c(-c2cccc(CNc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1 | 10.1021/jm2016123 | ||
| 11203294 | 75802 | 3 | None | 2 | 5 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 526 | 9 | 1 | 5 | 5.7 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048623 | 75802 | 3 | None | 2 | 5 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 526 | 9 | 1 | 5 | 5.7 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| 11190525 | 75796 | 0 | None | 2 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 466 | 10 | 1 | 3 | 7.1 | Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048616 | 75796 | 0 | None | 2 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 466 | 10 | 1 | 3 | 7.1 | Cc1cc(OCc2ccccc2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 | 10.1021/jm2016123 | ||
| 11236925 | 75799 | 0 | None | 2 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 478 | 9 | 1 | 4 | 6.3 | Cc1cc(OC2CCOCC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048619 | 75799 | 0 | None | 2 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 478 | 9 | 1 | 4 | 6.3 | Cc1cc(OC2CCOCC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| 57413375 | 77190 | 0 | None | 1 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 485 | 9 | 1 | 4 | 7.2 | Cc1cccc(Oc2cc(C)c(-c3cccc(COc4ccc(CCC(=O)O)c(F)c4)c3)c(C)c2)n1 | 10.1021/jm2016123 | ||
| CHEMBL2048620 | 77190 | 0 | None | 1 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 485 | 9 | 1 | 4 | 7.2 | Cc1cccc(Oc2cc(C)c(-c3cccc(COc4ccc(CCC(=O)O)c(F)c4)c3)c(C)c2)n1 | 10.1021/jm2016123 | ||
| CHEMBL2079468 | 77190 | 0 | None | 1 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 485 | 9 | 1 | 4 | 7.2 | Cc1cccc(Oc2cc(C)c(-c3cccc(COc4ccc(CCC(=O)O)c(F)c4)c3)c(C)c2)n1 | 10.1021/jm2016123 | ||
| 23111694 | 74030 | 0 | None | 24 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 494 | 9 | 1 | 4 | 7.1 | Cc1cccc(C)c1-c1cc(COc2ccc3c(c2)OCC3CC(=O)O)ccc1OCc1ccccc1 | 10.1021/jm2012968 | ||
| CHEMBL2022256 | 74030 | 0 | None | 24 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 494 | 9 | 1 | 4 | 7.1 | Cc1cccc(C)c1-c1cc(COc2ccc3c(c2)OCC3CC(=O)O)ccc1OCc1ccccc1 | 10.1021/jm2012968 | ||
| 58218709 | 158394 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 393 | 5 | 1 | 3 | 5.3 | Cc1cccc(Oc2ccc(N3C[C@@H](C(F)(F)F)C[C@H]3CC(=O)O)cc2)c1C | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4090240 | 158394 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 393 | 5 | 1 | 3 | 5.3 | Cc1cccc(Oc2ccc(N3C[C@@H](C(F)(F)F)C[C@H]3CC(=O)O)cc2)c1C | 10.1021/acs.jmedchem.6b01559 | ||
| 118151370 | 159079 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 477 | 9 | 1 | 6 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OC(F)F)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4097527 | 159079 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 477 | 9 | 1 | 6 | 5.2 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4ccc(OC(F)F)cc4)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 118129974 | 157170 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 575 | 12 | 1 | 8 | 5.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cc(OCCCS(C)(=O)=O)cc4C)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4075819 | 157170 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 575 | 12 | 1 | 8 | 5.0 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc3nc(-c4c(C)cc(OCCCS(C)(=O)=O)cc4C)nn3c2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 25150014 | 3854 | 55 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 10.1021/acs.jmedchem.6b00202 | ||
| 3952 | 3854 | 55 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL449588 | 3854 | 55 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 264 | 3 | 1 | 1 | 3.4 | OC(=O)CCc1ccc(cc1)C#Cc1ccccc1C | 10.1021/acs.jmedchem.6b00202 | ||
| 58218542 | 156742 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 297 | 5 | 1 | 3 | 3.9 | O=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4070703 | 156742 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 297 | 5 | 1 | 3 | 3.9 | O=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 57414542 | 77187 | 0 | None | -7 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 501 | 8 | 1 | 5 | 6.0 | Cc1cc(OC2CCN(C)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047161 | 77187 | 0 | None | -7 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 501 | 8 | 1 | 5 | 6.0 | Cc1cc(OC2CCN(C)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2079433 | 77187 | 0 | None | -7 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 501 | 8 | 1 | 5 | 6.0 | Cc1cc(OC2CCN(C)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 57325917 | 74079 | 0 | None | 5 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 476 | 11 | 1 | 5 | 6.0 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)COC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| CHEMBL2022582 | 74079 | 0 | None | 5 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 476 | 11 | 1 | 5 | 6.0 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)COC4CC(=O)O)c2)c(C)c1 | 10.1021/jm2012968 | ||
| 58230552 | 182195 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 471 | 8 | 1 | 3 | 6.0 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4783190 | 182195 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 471 | 8 | 1 | 3 | 6.0 | O=C(O)CCc1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)cc2)cc1F | 10.1021/acs.jmedchem.6b00892 | ||
| 3367 | 1148 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 416 | 4 | 1 | 5 | 4.7 | O=C1NC(=O)C(S1)Cc1ccc(cc1C)Oc1ncc(cc1Cl)C(F)(F)F | 10.1021/acs.jmedchem.6b00202 | ||
| 46216676 | 1148 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 416 | 4 | 1 | 5 | 4.7 | O=C1NC(=O)C(S1)Cc1ccc(cc1C)Oc1ncc(cc1Cl)C(F)(F)F | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL604126 | 1148 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 416 | 4 | 1 | 5 | 4.7 | O=C1NC(=O)C(S1)Cc1ccc(cc1C)Oc1ncc(cc1Cl)C(F)(F)F | 10.1021/acs.jmedchem.6b00202 | ||
| 24857286 | 1611 | 72 | None | 10 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| 6484 | 1611 | 72 | None | 10 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL1829174 | 1611 | 72 | None | 10 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| DB12491 | 1611 | 72 | None | 10 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 524 | 11 | 1 | 6 | 5.3 | OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C | 10.1021/acs.jmedchem.6b00892 | ||
| 58218608 | 156660 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 377 | 5 | 1 | 2 | 4.8 | Cc1ccccc1Cc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4069764 | 156660 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 377 | 5 | 1 | 2 | 4.8 | Cc1ccccc1Cc1ccc(N2C[C@@H](C(F)(F)F)C[C@H]2CC(=O)O)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 57414268 | 75583 | 0 | None | -26 | 2 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 476 | 11 | 1 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@@H]4CC(=O)O)c2)c(C)c1 | 10.1021/jm300170m | ||
| CHEMBL2047150 | 75583 | 0 | None | -26 | 2 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 476 | 11 | 1 | 5 | 5.9 | CCOCCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@@H]4CC(=O)O)c2)c(C)c1 | 10.1021/jm300170m | ||
| 162644059 | 181800 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 440 | 8 | 1 | 7 | 4.6 | O=C(O)C[C@@H](c1ccc(OCc2ccc3nc(-c4ccccc4)nn3c2)cc1)c1ccon1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4778264 | 181800 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 440 | 8 | 1 | 7 | 4.6 | O=C(O)C[C@@H](c1ccc(OCc2ccc3nc(-c4ccccc4)nn3c2)cc1)c1ccon1 | 10.1021/acs.jmedchem.6b00892 | ||
| 137661294 | 159476 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 485 | 7 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(N3CCC4(CCc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| CHEMBL4101901 | 159476 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 485 | 7 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(N3CCC4(CCc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.7b01411 | ||
| 11398822 | 75803 | 0 | None | 2 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 556 | 10 | 2 | 6 | 5.0 | Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048624 | 75803 | 0 | None | 2 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 556 | 10 | 2 | 6 | 5.0 | Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| 68194743 | 182524 | 12 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 499 | 8 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| CHEMBL4787498 | 182524 | 12 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 499 | 8 | 1 | 4 | 6.4 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)s2)cc1 | 10.1021/acs.jmedchem.6b00892 | ||
| 57414542 | 77187 | 0 | None | 7 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 501 | 8 | 1 | 5 | 6.0 | Cc1cc(OC2CCN(C)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047161 | 77187 | 0 | None | 7 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 501 | 8 | 1 | 5 | 6.0 | Cc1cc(OC2CCN(C)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2079433 | 77187 | 0 | None | 7 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 501 | 8 | 1 | 5 | 6.0 | Cc1cc(OC2CCN(C)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 57414404 | 75587 | 0 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 536 | 8 | 1 | 6 | 5.5 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047154 | 75587 | 0 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 536 | 8 | 1 | 6 | 5.5 | Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 57414401 | 75584 | 0 | None | -3 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 488 | 9 | 1 | 5 | 5.9 | Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm300170m | ||
| CHEMBL2047151 | 75584 | 0 | None | -3 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 488 | 9 | 1 | 5 | 5.9 | Cc1cc(OCC2(C)COC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1 | 10.1021/jm300170m | ||
| 6483 | 3855 | 54 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| 66553168 | 3855 | 54 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| CHEMBL2386353 | 3855 | 54 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 307 | 4 | 1 | 2 | 3.3 | N#CCc1ccccc1C#Cc1ccc(c(c1)F)CCC(=O)O | 10.1021/acs.jmedchem.6b00202 | ||
| 23082877 | 75793 | 0 | None | -1 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 390 | 8 | 1 | 3 | 5.6 | COc1ccc(COc2ccc(CCC(=O)O)cc2)cc1-c1c(C)cccc1C | 10.1021/jm2016123 | ||
| CHEMBL2048613 | 75793 | 0 | None | -1 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 390 | 8 | 1 | 3 | 5.6 | COc1ccc(COc2ccc(CCC(=O)O)cc2)cc1-c1c(C)cccc1C | 10.1021/jm2016123 | ||
| 58218630 | 159631 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 379 | 6 | 1 | 3 | 5.0 | O=C(O)C[C@@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4103729 | 159631 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 379 | 6 | 1 | 3 | 5.0 | O=C(O)C[C@@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cc1 | 10.1021/acs.jmedchem.6b01559 | ||
| 11489259 | 75800 | 0 | None | 2 | 2 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 519 | 12 | 1 | 4 | 6.1 | Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048621 | 75800 | 0 | None | 2 | 2 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 519 | 12 | 1 | 4 | 6.1 | Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 | 10.1021/jm2016123 | ||
| 58218655 | 156141 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 341 | 6 | 1 | 4 | 3.9 | CO[C@H]1C[C@@H](CC(=O)O)N(c2ccc(Oc3ccccc3C)cc2)C1 | 10.1021/acs.jmedchem.6b01559 | ||
| CHEMBL4063889 | 156141 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 341 | 6 | 1 | 4 | 3.9 | CO[C@H]1C[C@@H](CC(=O)O)N(c2ccc(Oc3ccccc3C)cc2)C1 | 10.1021/acs.jmedchem.6b01559 | ||
| 57413287 | 75792 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 408 | 8 | 1 | 3 | 5.7 | COc1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(-c2c(C)cccc2C)c1 | 10.1021/jm2016123 | ||
| CHEMBL2048612 | 75792 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 408 | 8 | 1 | 3 | 5.7 | COc1cc(COc2ccc(CCC(=O)O)c(F)c2)cc(-c2c(C)cccc2C)c1 | 10.1021/jm2016123 | ||
| 137076846 | 1107 | 0 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | Guide to Pharmacology | 629 | 16 | 3 | 9 | 4.7 | OC(=O)CCc1ccc(cc1F)OCc1cccc(c1)c1ccc(cc1C)OCCOCCNc1ccc(c2=NCN=c12)N(O)[O] | 27074625 | ||
| 9148 | 1107 | 0 | None | - | 1 | Human | 8.3 | pKd | = | 8.3 | Binding | Guide to Pharmacology | 629 | 16 | 3 | 9 | 4.7 | OC(=O)CCc1ccc(cc1F)OCc1cccc(c1)c1ccc(cc1C)OCCOCCNc1ccc(c2=NCN=c12)N(O)[O] | 27074625 | ||