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 | 184745 | 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 | 184745 | 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 | 179672 | 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 | 179672 | 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 | 173395 | 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 | 173395 | 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 | 170909 | 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 | 170909 | 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 | 184426 | 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 | 184426 | 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 | 170511 | 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 | 170511 | 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 | 148727 | 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 | 148727 | 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 | 173395 | 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 | 173395 | 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 | 170511 | 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 | 170511 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 184023 | 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 | 184023 | 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 | 146155 | 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 | 146155 | 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 | 170909 | 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 | 170909 | 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 | 184729 | 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 | 184729 | 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 | 183938 | 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 | 183938 | 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 | 167048 | 3 | 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 | 167048 | 3 | 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 | 167048 | 3 | 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 | 110766 | 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 | 110766 | 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 | 181528 | 23 | 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 | 181528 | 23 | 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 | 185567 | 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 | 185567 | 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 | 184614 | 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 | 184614 | 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 | 167048 | 3 | 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 | 167048 | 3 | 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 | 167048 | 3 | 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 | 167091 | 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 | 167091 | 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 | 167091 | 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 | 175537 | 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 | 175537 | 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 | 182724 | 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 | 182724 | 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 | 158557 | 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 | 158557 | 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 | 173096 | 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 | 173096 | 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 | 167028 | 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 | 167028 | 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 | 167028 | 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 | 141720 | 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 | 141720 | 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 | 145086 | 4 | 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 | 145086 | 4 | 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 | 167092 | 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 | 167092 | 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 | 167092 | 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 | 167028 | 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 | 167028 | 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 | 167028 | 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 | 111309 | 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 | 111309 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 182305 | 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 | 182305 | 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 | 167004 | 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 | 167004 | 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 | 167004 | 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 | 167183 | 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 | 167183 | 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 | 167183 | 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 | 110761 | 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 | 110761 | 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 | 141638 | 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 | 141638 | 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 | 141638 | 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 | 141638 | 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 | 141638 | 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 | 141638 | 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 | 181925 | 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 | 181925 | 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 | 167160 | 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 | 167160 | 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 | 167160 | 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 | 166084 | 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 | 166084 | 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 | 188960 | 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 | 188960 | 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 | 149934 | 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 | 149934 | 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 | 163073 | 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 | 163073 | 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 | 1134 | 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 | 1134 | 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 | 1134 | 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 | 200879 | 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 | 200879 | 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 | 111475 | 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 | 111475 | 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 | 73711 | 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 | 73711 | 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 | 181624 | 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 | 181624 | 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 | 163432 | 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 | 163432 | 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 | 146631 | 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 | 146631 | 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 | 152448 | 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 | 152448 | 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 | 152448 | 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 | 139875 | 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 | 139875 | 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 | 163332 | 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 | 163332 | 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 | 163953 | 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 | 163953 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 122162 | 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 | 122162 | 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 | 179006 | 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 | 179006 | 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 | 179377 | 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 | 179377 | 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 | 155374 | 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 | 155374 | 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 | 166489 | 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 | 166489 | 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 | 61835 | 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 | 61835 | 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 | 74702 | 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 | 74702 | 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 | 75609 | 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 | 75609 | 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 | 87398 | 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 | 87398 | 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 | 86120 | 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 | 86120 | 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 | 86131 | 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 | 86131 | 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 | 180039 | 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 | 180039 | 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 | 58522 | 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 | 58522 | 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 | 58522 | 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 | 157499 | 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 | 157499 | 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 | 199401 | 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 | 199401 | 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 | 141605 | 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 | 141605 | 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 | 161558 | 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 | 161558 | 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 | 139296 | 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 | 139296 | 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 | 173265 | 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 | 173265 | 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 | 164221 | 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 | 164221 | 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 | 157499 | 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 | 157499 | 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 | 123454 | 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 | 123454 | 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 | 164437 | 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 | 164437 | 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 | 165886 | 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 | 165886 | 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 | 191326 | 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 | 191326 | 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 | 166974 | 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 | 166974 | 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 | 166974 | 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 | 61818 | 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 | 61818 | 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 | 151713 | 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 | 151713 | 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 | 167091 | 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 | 167091 | 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 | 167091 | 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 | 89550 | 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 | 89550 | 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 | 123452 | 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 | 123452 | 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 | 75911 | 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 | 75911 | 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 | 75911 | 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 | 162531 | 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 | 162531 | 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 | 139786 | 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 | 139786 | 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 | 139711 | 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 | 139711 | 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 | 164227 | 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 | 164227 | 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 | 184599 | 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 | 184599 | 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 | 121940 | 4 | 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 | 121940 | 4 | 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 | 65014 | 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 | 65014 | 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 | 61481 | 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 | 61481 | 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 | 61829 | 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 | 61829 | 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 | 163653 | 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 | 163653 | 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 | 122839 | 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 | 122839 | 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 | 198715 | 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 | 198715 | 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 | 199429 | 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 | 199429 | 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 | 162244 | 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 | 162244 | 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 | 123460 | 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 | 123460 | 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 | 75922 | 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 | 75922 | 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 | 192078 | 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 | 192078 | 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 | 171068 | 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 | 171068 | 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 | 64997 | 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 | 64997 | 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 | 179547 | 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 | 179547 | 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 | 163083 | 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 | 163083 | 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 | 111308 | 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 | 111308 | 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 | 146591 | 7 | 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 | 146591 | 7 | 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 | 180905 | 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 | 180905 | 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 | 181924 | 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 | 181924 | 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 | 181789 | 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 | 181789 | 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 | 183003 | 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 | 183003 | 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 | 181624 | 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 | 181624 | 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 | 118628 | 3 | 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 | 118628 | 3 | 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 | 162134 | 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 | 162134 | 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 | 174373 | 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 | 174373 | 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 | 139163 | 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 | 139163 | 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 | 89547 | 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 | 89547 | 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 | 80385 | 25 | 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 | 80385 | 25 | 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 | 174829 | 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 | 174829 | 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 | 152448 | 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 | 152448 | 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 | 152448 | 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 | 189674 | 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 | 189674 | 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 | 163048 | 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 | 163048 | 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 | 69680 | 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 | 69680 | 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 | 157969 | 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 | 157969 | 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 | 157281 | 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 | 157281 | 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 | 157872 | 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 | 157872 | 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 | 156460 | 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 | 156460 | 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 | 159238 | 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 | 159238 | 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 | 166206 | 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 | 166206 | 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 | 123453 | 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 | 123453 | 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 | 58523 | 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 | 58523 | 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 | 80386 | 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 | 80386 | 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 | 69667 | 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 | 69667 | 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 | 155399 | 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 | 155399 | 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 | 158911 | 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 | 158911 | 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 | 156662 | 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 | 156662 | 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 | 111469 | 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 | 111469 | 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 | 166307 | 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 | 166307 | 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 | 155283 | 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 | 155283 | 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 | 157245 | 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 | 157245 | 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 | 165355 | 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 | 165355 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 89542 | 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 | 89542 | 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 | 121949 | 6 | 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 | 121949 | 6 | 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 | 160478 | 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 | 160478 | 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 | 160478 | 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 | 65008 | 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 | 65008 | 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 | 75572 | 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 | 75572 | 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 | 146277 | 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 | 146277 | 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 | 198882 | 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 | 198882 | 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 | 61818 | 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 | 61818 | 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 | 162220 | 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 | 162220 | 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 | 121950 | 3 | 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 | 121950 | 3 | 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 | 163791 | 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 | 163791 | 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 | 161096 | 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 | 161096 | 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 | 162077 | 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 | 162077 | 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 | 61836 | 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 | 61836 | 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 | 139249 | 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 | 139249 | 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 | 161637 | 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 | 161637 | 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 | 140455 | 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 | 140455 | 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 | 160575 | 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 | 160575 | 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 | 160575 | 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 | 75915 | 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 | 75915 | 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 | 87860 | 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 | 87860 | 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 | 2255 | 92 | None | -1 | 4 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | 10.1039/C7MD00130D | ||
4642 | 2255 | 92 | None | -1 | 4 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | 10.1039/C7MD00130D | ||
5534 | 2255 | 92 | None | -1 | 4 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | 10.1039/C7MD00130D | ||
CHEMBL108766 | 2255 | 92 | None | -1 | 4 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | 10.1039/C7MD00130D | ||
DB03017 | 2255 | 92 | None | -1 | 4 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | 10.1039/C7MD00130D | ||
643684 | 107029 | 59 | 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 | 107029 | 59 | 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 | 122841 | 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 | 122841 | 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 | 137221 | 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 | 137221 | 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 | 158910 | 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 | 158910 | 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 | 153901 | 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 | 153901 | 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 | 153901 | 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 | 156652 | 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 | 156652 | 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 | 166801 | 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 | 166801 | 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 | 163798 | 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 | 163798 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 138285 | 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 | 138285 | 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 | 157029 | 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 | 157029 | 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 | 155754 | 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 | 155754 | 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 | 198813 | 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 | 198813 | 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 | 146591 | 7 | 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 | 146591 | 7 | 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 | 139759 | 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 | 139759 | 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 | 163272 | 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 | 163272 | 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 | 122155 | 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 | 122155 | 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 | 122166 | 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 | 122166 | 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 | 122180 | 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 | 122180 | 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 | 122181 | 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 | 122181 | 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 | 139527 | 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 | 139527 | 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 | 182502 | 5 | 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 | 182502 | 5 | 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 | 75470 | 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 | 75470 | 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 | 181425 | 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 | 181425 | 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 | 182613 | 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 | 182613 | 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 | 181528 | 23 | 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 | 181528 | 23 | 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 | 164245 | 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 | 164245 | 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 | 76789 | 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 | 76789 | 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 | 178892 | 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 | 178892 | 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 | 74432 | 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 | 74432 | 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 | 61483 | 20 | 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 | 61483 | 20 | 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 | 140328 | 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 | 140328 | 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 | 58531 | 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 | 58531 | 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 | 58551 | 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 | 58551 | 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 | 163232 | 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 | 163232 | 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 | 169532 | 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 | 169532 | 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 | 170059 | 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 | 170059 | 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 | 198511 | 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 | 198511 | 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 | 69671 | 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 | 69671 | 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 | 122179 | 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 | 122179 | 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 | 111473 | 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 | 111473 | 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 | 179544 | 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 | 179544 | 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 | 180559 | 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 | 180559 | 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 | 156483 | 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 | 156483 | 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 | 158376 | 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 | 158376 | 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 | 165974 | 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 | 165974 | 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 | 65016 | 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 | 65016 | 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 | 58550 | 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 | 58550 | 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 | 89556 | 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 | 89556 | 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 | 121951 | 5 | 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 | 121951 | 5 | 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 | 80252 | 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 | 80252 | 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 | 80263 | 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 | 80263 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 69672 | 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 | 69672 | 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 | 69681 | 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 | 69681 | 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 | 158565 | 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 | 158565 | 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 | 158884 | 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 | 158884 | 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 | 167032 | 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 | 167032 | 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 | 167032 | 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 | 162134 | 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 | 162134 | 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 | 162435 | 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 | 162435 | 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 | 198923 | 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 | 198923 | 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 | 115036 | 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 | 115036 | 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 | 122842 | 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 | 122842 | 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 | 160671 | 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 | 160671 | 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 | 160671 | 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 | 141701 | 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 | 141701 | 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 | 89559 | 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 | 89559 | 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 | 94561 | 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 | 94561 | 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 | 141595 | 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 | 141595 | 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 | 141613 | 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 | 141613 | 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 | 86115 | 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 | 86115 | 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 | 163359 | 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 | 163359 | 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 | 138333 | 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 | 138333 | 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 | 86895 | 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 | 86895 | 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 | 198632 | 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 | 198632 | 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 | 61839 | 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 | 61839 | 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 | 61836 | 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 | 61836 | 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 | 61828 | 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 | 61828 | 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 | 89562 | 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 | 89562 | 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 | 163179 | 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 | 163179 | 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 | 61482 | 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 | 61482 | 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 | 139813 | 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 | 139813 | 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 | 141651 | 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 | 141651 | 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 | 147743 | 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 | 147743 | 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 | 178749 | 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 | 178749 | 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 | 155754 | 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 | 155754 | 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 | 157288 | 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 | 157288 | 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 | 158910 | 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 | 158910 | 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 | 61472 | 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 | 61472 | 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 | 121988 | 4 | 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 | 121988 | 4 | 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 | 160438 | 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 | 160438 | 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 | 160438 | 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 | 61823 | 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 | 61823 | 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 | 167028 | 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 | 167028 | 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 | 167028 | 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 | 141590 | 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 | 141590 | 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 | 169008 | 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 | 169008 | 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 | 153914 | 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 | 153914 | 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 | 153914 | 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 | 160546 | 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 | 160546 | 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 | 160546 | 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 | 163740 | 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 | 163740 | 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 | 164236 | 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 | 164236 | 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 | 139753 | 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 | 139753 | 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 | 183938 | 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 | 183938 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 80385 | 25 | 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 | 80385 | 25 | 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 | 75267 | 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 | 75267 | 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 | 163386 | 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 | 163386 | 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 | 163564 | 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 | 163564 | 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 | 122119 | 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 | 122119 | 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 | 122171 | 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 | 122171 | 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 | 122176 | 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 | 122176 | 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 | 122182 | 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 | 122182 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 147139 | 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 | 147139 | 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 | 75473 | 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 | 75473 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 167155 | 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 | 167155 | 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 | 167155 | 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 | 76789 | 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 | 76789 | 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 | 89541 | 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 | 89541 | 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 | 61841 | 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 | 61841 | 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 | 111467 | 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 | 111467 | 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 | 165867 | 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 | 165867 | 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 | 181762 | 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 | 181762 | 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 | 111468 | 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 | 111468 | 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 | 111476 | 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 | 111476 | 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 | 80385 | 25 | 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 | 80385 | 25 | 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 | 80385 | 25 | 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 | 80385 | 25 | 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 | 153900 | 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 | 153900 | 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 | 153900 | 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 | 158152 | 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 | 158152 | 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 | 158734 | 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 | 158734 | 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 | 158869 | 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 | 158869 | 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 | 155759 | 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 | 155759 | 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 | 157498 | 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 | 157498 | 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 | 162218 | 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 | 162218 | 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 | 80261 | 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 | 80261 | 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 | 121997 | 5 | 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 | 121997 | 5 | 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 | 157288 | 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 | 157288 | 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 | 64993 | 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 | 64993 | 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 | 89574 | 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 | 89574 | 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 | 122876 | 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 | 122876 | 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 | 161946 | 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 | 161946 | 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 | 162575 | 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 | 162575 | 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 | 161489 | 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 | 161489 | 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 | 164067 | 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 | 164067 | 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 | 145086 | 4 | 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 | 145086 | 4 | 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 | 65017 | 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 | 65017 | 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 | 58524 | 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 | 58524 | 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 | 156372 | 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 | 156372 | 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 | 200513 | 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 | 200513 | 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 | 122837 | 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 | 122837 | 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 | 122838 | 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 | 122838 | 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 | 148044 | 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 | 148044 | 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 | 164034 | 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 | 164034 | 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 | 166159 | 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 | 166159 | 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 | 61819 | 10 | 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 | 61819 | 10 | 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 | 61841 | 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 | 61841 | 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 | 148044 | 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 | 148044 | 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 | 138249 | 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 | 138249 | 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 | 141638 | 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 | 141638 | 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 | 141638 | 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 | 162360 | 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 | 162360 | 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 | 86112 | 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 | 86112 | 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 | 86117 | 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 | 86117 | 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 | 163992 | 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 | 163992 | 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 | 141638 | 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 | 141638 | 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 | 141638 | 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 | 198821 | 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 | 198821 | 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 | 141613 | 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 | 141613 | 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 | 149706 | 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 | 149706 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 185298 | 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 | 185298 | 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 | 75268 | 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 | 75268 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 111476 | 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 | 111476 | 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 | 75472 | 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 | 75472 | 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 | 181975 | 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 | 181975 | 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 | 181242 | 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 | 181242 | 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 | 182016 | 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 | 182016 | 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 | 161941 | 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 | 161941 | 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 | 163386 | 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 | 163386 | 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 | 163865 | 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 | 163865 | 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 | 163900 | 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 | 163900 | 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 | 141626 | 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 | 141626 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 139875 | 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 | 139875 | 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 | 58541 | 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 | 58541 | 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 | 61483 | 20 | 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 | 61483 | 20 | 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 | 81310 | 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 | 81310 | 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 | 74653 | 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 | 74653 | 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 | 164300 | 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 | 164300 | 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 | 182159 | 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 | 182159 | 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 | 155399 | 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 | 155399 | 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 | 73758 | 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 | 73758 | 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 | 182537 | 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 | 182537 | 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 | 122843 | 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 | 122843 | 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 | 156788 | 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 | 156788 | 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 | 111467 | 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 | 111467 | 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 | 159101 | 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 | 159101 | 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 | 61828 | 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 | 61828 | 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 | 198820 | 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 | 198820 | 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 | 89936 | 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 | 89936 | 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 | 163694 | 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 | 163694 | 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 | 159206 | 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 | 159206 | 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 | 139510 | 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 | 139510 | 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 | 199194 | 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 | 199194 | 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 | 161687 | 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 | 161687 | 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 | 86111 | 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 | 86111 | 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 | 89934 | 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 | 89934 | 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 | 76072 | 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 | 76072 | 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 | 138491 | 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 | 138491 | 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 | 89942 | 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 | 89942 | 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 | 89558 | 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 | 89558 | 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 | 190437 | 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 | 190437 | 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 | 94223 | 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 | 94223 | 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 | 150544 | 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 | 150544 | 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 | 167028 | 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 | 167028 | 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 | 167028 | 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 | 141720 | 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 | 141720 | 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 | 122175 | 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 | 122175 | 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 | 122813 | 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 | 122813 | 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 | 3823 | 49 | 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 | 3823 | 49 | 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 | 3823 | 49 | 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 | 166525 | 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 | 166525 | 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 | 158188 | 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 | 158188 | 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 | 163623 | 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 | 163623 | 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 | 122840 | 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 | 122840 | 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 | 160636 | 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 | 160636 | 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 | 160636 | 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 | 155810 | 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 | 155810 | 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 | 61830 | 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 | 61830 | 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 | 61832 | 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 | 61832 | 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 | 163900 | 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 | 163900 | 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 | 164245 | 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 | 164245 | 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 | 75471 | 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 | 75471 | 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 | 75479 | 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 | 75479 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 174813 | 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 | 174813 | 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 | 162959 | 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 | 162959 | 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 | 182398 | 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 | 182398 | 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 | 175635 | 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 | 175635 | 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 | 139342 | 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 | 139342 | 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 | 170658 | 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 | 170658 | 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 | 80385 | 25 | 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 | 80385 | 25 | 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 | 182409 | 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 | 182409 | 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 | 155904 | 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 | 155904 | 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 | 157209 | 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 | 157209 | 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 | 158501 | 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 | 158501 | 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 | 155883 | 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 | 155883 | 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 | 158209 | 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 | 158209 | 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 | 166183 | 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 | 166183 | 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 | 191316 | 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 | 191316 | 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 | 122153 | 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 | 122153 | 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 | 156483 | 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 | 156483 | 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 | 156601 | 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 | 156601 | 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 | 175075 | 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 | 175075 | 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 | 86121 | 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 | 86121 | 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 | 94198 | 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 | 94198 | 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 | 150060 | 18 | 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 | 150060 | 18 | 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 | 139737 | 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 | 139737 | 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 | 163034 | 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 | 163034 | 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 | 115162 | 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 | 115162 | 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 | 189679 | 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 | 189679 | 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 | 163404 | 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 | 163404 | 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 | 141701 | 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 | 141701 | 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 | 58521 | 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 | 58521 | 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 | 185804 | 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 | 185804 | 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 | 155446 | 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 | 155446 | 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 | 161973 | 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 | 161973 | 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 | 175109 | 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 | 175109 | 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 | 61830 | 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 | 61830 | 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 | 164468 | 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 | 164468 | 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 | 163037 | 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 | 163037 | 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 | 61831 | 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 | 61831 | 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 | 152744 | 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 | 152744 | 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 | 155446 | 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 | 155446 | 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 | 159057 | 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 | 159057 | 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 | 159206 | 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 | 159206 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 75259 | 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 | 75259 | 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 | 75277 | 0 | 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 | 75277 | 0 | 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 | 75278 | 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 | 75278 | 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 | 163331 | 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 | 163331 | 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 | 170628 | 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 | 170628 | 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 | 111167 | 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 | 111167 | 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 | 156781 | 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 | 156781 | 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 | 89545 | 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 | 89545 | 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 | 164227 | 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 | 164227 | 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 | 111465 | 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 | 111465 | 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 | 141633 | 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 | 141633 | 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 | 173427 | 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 | 173427 | 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 | 184651 | 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 | 184651 | 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 | 58533 | 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 | 58533 | 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 | 89939 | 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 | 89939 | 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 | 121937 | 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 | 121937 | 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 | 80385 | 25 | 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 | 80385 | 25 | 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 | 80385 | 25 | 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 | 80385 | 25 | 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 | 80385 | 25 | 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 | 80385 | 25 | 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 | 171299 | 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 | 171299 | 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 | 179837 | 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 | 179837 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 121941 | 4 | 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 | 121941 | 4 | 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 | 122150 | 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 | 122150 | 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 | 154938 | 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 | 154938 | 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 | 86124 | 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 | 86124 | 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 | 141605 | 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 | 141605 | 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 | 169555 | 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 | 169555 | 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 | 159057 | 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 | 159057 | 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 | 199999 | 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 | 199999 | 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 | 139703 | 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 | 139703 | 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 | 162193 | 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 | 162193 | 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 | 61474 | 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 | 61474 | 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 | 87562 | 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 | 87562 | 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 | 137165 | 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 | 137165 | 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 | 137252 | 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 | 137252 | 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 | 94221 | 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 | 94221 | 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 | 154587 | 16 | 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 | 154587 | 16 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 163590 | 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 | 163590 | 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 | 139726 | 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 | 139726 | 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 | 141595 | 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 | 141595 | 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 | 75270 | 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 | 75270 | 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 | 75272 | 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 | 75272 | 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 | 75273 | 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 | 75273 | 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 | 75279 | 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 | 75279 | 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 | 180775 | 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 | 180775 | 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 | 182970 | 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 | 182970 | 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 | 181504 | 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 | 181504 | 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 | 181789 | 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 | 181789 | 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 | 182479 | 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 | 182479 | 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 | 182809 | 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 | 182809 | 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 | 180880 | 3 | 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 | 180880 | 3 | 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 | 81309 | 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 | 81309 | 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 | 81382 | 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 | 81382 | 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 | 58538 | 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 | 58538 | 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 | 58539 | 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 | 58539 | 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 | 164047 | 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 | 164047 | 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 | 191635 | 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 | 191635 | 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 | 158235 | 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 | 158235 | 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 | 166649 | 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 | 166649 | 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 | 156090 | 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 | 156090 | 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 | 58559 | 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 | 58559 | 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 | 73701 | 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 | 73701 | 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 | 122147 | 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 | 122147 | 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 | 156656 | 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 | 156656 | 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 | 158911 | 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 | 158911 | 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 | 61827 | 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 | 61827 | 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 | 162310 | 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 | 162310 | 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 | 149010 | 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 | 149010 | 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 | 76402 | 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 | 76402 | 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 | 163893 | 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 | 163893 | 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 | 65015 | 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 | 65015 | 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 | 1134 | 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 | 1134 | 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 | 1134 | 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 | 139768 | 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 | 139768 | 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 | 160866 | 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 | 160866 | 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 | 169576 | 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 | 169576 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 161818 | 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 | 161818 | 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 | 139668 | 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 | 139668 | 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 | 75262 | 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 | 75262 | 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 | 75271 | 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 | 75271 | 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 | 75275 | 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 | 75275 | 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 | 164163 | 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 | 164163 | 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 | 199121 | 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 | 199121 | 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 | 111474 | 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 | 111474 | 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 | 181975 | 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 | 181975 | 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 | 163357 | 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 | 163357 | 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 | 58554 | 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 | 58554 | 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 | 180905 | 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 | 180905 | 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 | 141595 | 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 | 141595 | 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 | 89931 | 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 | 89931 | 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 | 89940 | 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 | 89940 | 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 | 164624 | 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 | 164624 | 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 | 61483 | 20 | 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 | 61483 | 20 | 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 | 61483 | 20 | 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 | 61483 | 20 | 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 | 61483 | 20 | 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 | 61483 | 20 | 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 | 69678 | 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 | 69678 | 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 | 181922 | 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 | 181922 | 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 | 156228 | 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 | 156228 | 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 | 73709 | 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 | 73709 | 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 | 181637 | 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 | 181637 | 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 | 94139 | 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 | 94139 | 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 | 58537 | 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 | 58537 | 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 | 191033 | 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 | 191033 | 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 | 161804 | 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 | 161804 | 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 | 162194 | 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 | 162194 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 166516 | 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 | 166516 | 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 | 156287 | 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 | 156287 | 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 | 3825 | 5 | 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 | 3825 | 5 | 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 | 3825 | 5 | 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 | 87518 | 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 | 87518 | 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 | 138621 | 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 | 138621 | 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 | 142723 | 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 | 142723 | 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 | 142723 | 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 | 142723 | 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 | 163190 | 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 | 163190 | 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 | 86090 | 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 | 86090 | 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 | 65013 | 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 | 65013 | 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 | 61478 | 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 | 61478 | 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 | 58522 | 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 | 58522 | 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 | 58522 | 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 | 165969 | 14 | 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 | 165969 | 14 | 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 | 140196 | 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 | 140196 | 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 | 161517 | 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 | 161517 | 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 | 199264 | 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 | 199264 | 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 | 122000 | 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 | 122000 | 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 | 137104 | 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 | 137104 | 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 | 58555 | 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 | 58555 | 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 | 1922 | 11 | 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 | 1922 | 11 | 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 | 1922 | 11 | 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 | 178996 | 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 | 178996 | 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 | 110763 | 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 | 110763 | 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 | 75276 | 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 | 75276 | 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 | 76863 | 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 | 76863 | 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 | 76863 | 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 | 162968 | 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 | 162968 | 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 | 118629 | 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 | 118629 | 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 | 122160 | 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 | 122160 | 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 | 182295 | 4 | 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 | 182295 | 4 | 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 | 162968 | 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 | 162968 | 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 | 163307 | 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 | 163307 | 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 | 163331 | 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 | 163331 | 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 | 161914 | 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 | 161914 | 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 | 89566 | 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 | 89566 | 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 | 169164 | 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 | 169164 | 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 | 86102 | 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 | 86102 | 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 | 86102 | 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 | 86102 | 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 | 122183 | 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 | 122183 | 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 | 156938 | 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 | 156938 | 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 | 159171 | 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 | 159171 | 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 | 181872 | 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 | 181872 | 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 | 111477 | 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 | 111477 | 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 | 89546 | 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 | 89546 | 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 | 86103 | 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 | 86103 | 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 | 163651 | 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 | 163651 | 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 | 80251 | 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 | 80251 | 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 | 80258 | 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 | 80258 | 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 | 156334 | 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 | 156334 | 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 | 158376 | 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 | 158376 | 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 | 94593 | 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 | 94593 | 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 | 2706 | 5 | 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 | 2706 | 5 | 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 | 2706 | 5 | 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 | 156059 | 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 | 156059 | 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 | 157176 | 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 | 157176 | 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 | 58522 | 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 | 58522 | 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 | 58522 | 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 | 139129 | 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 | 139129 | 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 | 156829 | 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 | 156829 | 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 | 87518 | 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 | 87518 | 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 | 163261 | 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 | 163261 | 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 | 163920 | 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 | 163920 | 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 | 89943 | 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 | 89943 | 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 | 3825 | 5 | 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 | 3825 | 5 | 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 | 3825 | 5 | 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 | 137303 | 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 | 137303 | 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 | 156515 | 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 | 156515 | 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 | 172331 | 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 | 172331 | 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 | 163600 | 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 | 163600 | 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 | 175537 | 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 | 175537 | 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 | 61478 | 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 | 61478 | 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 | 86109 | 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 | 86109 | 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 | 186104 | 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 | 186104 | 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 | 138556 | 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 | 138556 | 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 | 186104 | 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 | 186104 | 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 | 186104 | 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 | 186104 | 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 | 186104 | 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 | 186104 | 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 | 87604 | 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 | 87604 | 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 | 149320 | 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 | 149320 | 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 | 156188 | 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 | 156188 | 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 | 156287 | 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 | 156287 | 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 | 156515 | 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 | 156515 | 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 | 185755 | 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 | 185755 | 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 | 170909 | 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 | 170909 | 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 | 164211 | 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 | 164211 | 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 | 157225 | 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 | 157225 | 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 | 179288 | 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 | 179288 | 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 | 180880 | 3 | 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 | 180880 | 3 | 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 | 163564 | 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 | 163564 | 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 | 170751 | 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 | 170751 | 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 | 182793 | 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 | 182793 | 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 | 172234 | 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 | 172234 | 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 | 182809 | 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 | 182809 | 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 | 141638 | 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 | 141638 | 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 | 141638 | 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 | 185401 | 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 | 185401 | 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 | 140485 | 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 | 140485 | 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 | 179477 | 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 | 179477 | 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 | 167028 | 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 | 167028 | 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 | 167028 | 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 | 141590 | 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 | 141590 | 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 | 166974 | 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 | 166974 | 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 | 166974 | 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 | 182613 | 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 | 182613 | 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 | 182724 | 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 | 182724 | 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 | 58552 | 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 | 58552 | 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 | 86102 | 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 | 86102 | 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 | 138480 | 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 | 138480 | 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 | 163432 | 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 | 163432 | 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 | 163934 | 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 | 163934 | 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 | 111479 | 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 | 111479 | 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 | 111479 | 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 | 111479 | 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 | 122186 | 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 | 122186 | 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 | 111479 | 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 | 111479 | 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 | 173096 | 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 | 173096 | 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 | 161941 | 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 | 161941 | 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 | 75469 | 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 | 75469 | 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 | 181925 | 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 | 181925 | 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 | 163301 | 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 | 163301 | 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 | 163934 | 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 | 163934 | 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 | 138480 | 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 | 138480 | 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 | 185179 | 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 | 185179 | 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 | 169809 | 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 | 169809 | 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 | 166573 | 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 | 166573 | 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 | 181080 | 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 | 181080 | 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 | 152049 | 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 | 152049 | 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 | 155805 | 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 | 155805 | 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 | 154001 | 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 | 154001 | 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 | 154001 | 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 | 159033 | 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 | 159033 | 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 | 198660 | 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 | 198660 | 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 | 162318 | 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 | 162318 | 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 | 58521 | 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 | 58521 | 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 | 140698 | 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 | 140698 | 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 | 76433 | 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 | 76433 | 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 | 75916 | 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 | 75916 | 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 | 86092 | 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 | 86092 | 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 | 76433 | 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 | 76433 | 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 | 89561 | 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 | 89561 | 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 | 160484 | 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 | 160484 | 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 | 160484 | 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 | 198510 | 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 | 198510 | 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 | 138557 | 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 | 138557 | 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 | 166117 | 72 | 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 | 166117 | 72 | 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 | 198922 | 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 | 198922 | 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 | 122185 | 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 | 122185 | 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 | 73707 | 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 | 73707 | 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 | 182793 | 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 | 182793 | 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 | 163133 | 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 | 163133 | 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 | 163873 | 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 | 163873 | 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 | 179648 | 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 | 179648 | 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 | 81308 | 22 | 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 | 81308 | 22 | 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 | 121943 | 2 | 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 | 121943 | 2 | 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 | 164183 | 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 | 164183 | 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 | 157338 | 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 | 157338 | 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 | 158246 | 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 | 158246 | 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 | 122152 | 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 | 122152 | 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 | 157075 | 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 | 157075 | 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 | 166016 | 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 | 166016 | 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 | 166428 | 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 | 166428 | 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 | 166746 | 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 | 166746 | 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 | 157281 | 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 | 157281 | 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 | 111462 | 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 | 111462 | 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 | 80262 | 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 | 80262 | 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 | 80383 | 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 | 80383 | 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 | 189939 | 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 | 189939 | 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 | 122169 | 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 | 122169 | 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 | 155376 | 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 | 155376 | 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 | 150719 | 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 | 150719 | 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 | 166603 | 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 | 166603 | 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 | 156679 | 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 | 156679 | 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 | 111472 | 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 | 111472 | 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 | 189172 | 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 | 189172 | 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 | 137188 | 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 | 137188 | 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 | 162147 | 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 | 162147 | 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 | 166470 | 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 | 166470 | 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 | 121989 | 2 | 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 | 121989 | 2 | 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 | 164067 | 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 | 164067 | 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 | 163722 | 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 | 163722 | 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 | 164014 | 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 | 164014 | 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 | 160945 | 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 | 160945 | 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 | 89932 | 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 | 89932 | 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 | 61469 | 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 | 61469 | 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 | 139138 | 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 | 139138 | 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 | 173084 | 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 | 173084 | 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 | 163402 | 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 | 163402 | 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 | 156188 | 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 | 156188 | 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 | 199995 | 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 | 199995 | 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 | 87563 | 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 | 87563 | 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 | 86126 | 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 | 86126 | 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 | 89544 | 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 | 89544 | 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 | 162730 | 4 | 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 | 162730 | 4 | 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 | 110765 | 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 | 110765 | 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 | 75265 | 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 | 75265 | 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 | 73702 | 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 | 73702 | 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 | 172234 | 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 | 172234 | 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 | 58554 | 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 | 58554 | 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 | 182305 | 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 | 182305 | 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 | 141626 | 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 | 141626 | 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 | 89938 | 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 | 89938 | 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 | 173194 | 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 | 173194 | 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 | 139239 | 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 | 139239 | 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 | 189425 | 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 | 189425 | 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 | 168989 | 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 | 168989 | 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 | 170482 | 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 | 170482 | 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 | 156037 | 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 | 156037 | 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 | 156334 | 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 | 156334 | 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 | 157185 | 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 | 157185 | 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 | 173395 | 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 | 173395 | 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 | 80257 | 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 | 80257 | 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 | 85339 | 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 | 85339 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 150570 | 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 | 150570 | 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 | 165343 | 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 | 165343 | 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 | 198631 | 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 | 198631 | 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 | 86128 | 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 | 86128 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 61839 | 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 | 61839 | 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 | 166342 | 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 | 166342 | 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 | 171317 | 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 | 171317 | 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 | 154588 | 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 | 154588 | 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 | 197738 | 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 | 197738 | 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 | 86108 | 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 | 86108 | 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 | 163103 | 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 | 163103 | 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 | 73699 | 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 | 73699 | 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 | 122163 | 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 | 122163 | 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 | 75475 | 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 | 75475 | 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 | 75481 | 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 | 75481 | 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 | 181762 | 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 | 181762 | 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 | 182404 | 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 | 182404 | 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 | 161941 | 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 | 161941 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 161767 | 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 | 161767 | 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 | 141701 | 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 | 141701 | 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 | 81381 | 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 | 81381 | 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 | 179529 | 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 | 179529 | 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 | 111478 | 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 | 111478 | 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 | 80247 | 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 | 80247 | 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 | 80250 | 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 | 80250 | 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 | 155624 | 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 | 155624 | 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 | 161986 | 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 | 161986 | 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 | 137211 | 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 | 137211 | 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 | 155569 | 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 | 155569 | 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 | 183891 | 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 | 183891 | 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 | 145086 | 4 | 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 | 145086 | 4 | 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 | 162996 | 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 | 162996 | 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 | 163324 | 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 | 163324 | 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 | 199655 | 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 | 199655 | 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 | 160433 | 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 | 160433 | 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 | 160433 | 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 | 199427 | 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 | 199427 | 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 | 166284 | 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 | 166284 | 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 | 200442 | 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 | 200442 | 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 | 166661 | 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 | 166661 | 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 | 164284 | 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 | 164284 | 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 | 149010 | 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 | 149010 | 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 | 121990 | 3 | 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 | 121990 | 3 | 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 | 163202 | 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 | 163202 | 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 | 164197 | 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 | 164197 | 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 | 75261 | 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 | 75261 | 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 | 73710 | 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 | 73710 | 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 | 183003 | 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 | 183003 | 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 | 164163 | 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 | 164163 | 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 | 167155 | 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 | 167155 | 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 | 167155 | 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 | 174619 | 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 | 174619 | 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 | 139208 | 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 | 139208 | 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 | 139461 | 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 | 139461 | 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 | 139461 | 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 | 58532 | 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 | 58532 | 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 | 174862 | 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 | 174862 | 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 | 199219 | 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 | 199219 | 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 | 69682 | 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 | 69682 | 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 | 157058 | 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 | 157058 | 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 | 160944 | 14 | 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 | 160944 | 14 | 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 | 157204 | 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 | 157204 | 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 | 155535 | 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 | 155535 | 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 | 157204 | 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 | 157204 | 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 | 158103 | 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 | 158103 | 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 | 166974 | 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 | 166974 | 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 | 166974 | 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 | 163446 | 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 | 163446 | 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 | 164878 | 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 | 164878 | 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 | 61838 | 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 | 61838 | 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 | 170751 | 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 | 170751 | 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 | 61473 | 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 | 61473 | 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 | 94594 | 24 | 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 | 94594 | 24 | 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 | 167155 | 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 | 167155 | 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 | 167155 | 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 | 61827 | 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 | 61827 | 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 | 141638 | 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 | 141638 | 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 | 141638 | 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 | 141638 | 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 | 141638 | 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 | 141638 | 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 | 61822 | 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 | 61822 | 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 | 61839 | 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 | 61839 | 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 | 163075 | 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 | 163075 | 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 | 69684 | 8 | 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 | 69684 | 8 | 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 | 75477 | 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 | 75477 | 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 | 75478 | 2 | 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 | 75478 | 2 | 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 | 162288 | 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 | 162288 | 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 | 75478 | 2 | 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 | 75478 | 2 | 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 | 141701 | 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 | 141701 | 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 | 139507 | 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 | 139507 | 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 | 81308 | 22 | 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 | 81308 | 22 | 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 | 139201 | 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 | 139201 | 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 | 182379 | 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 | 182379 | 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 | 155735 | 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 | 155735 | 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 | 111471 | 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 | 111471 | 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 | 111470 | 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 | 111470 | 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 | 152183 | 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 | 152183 | 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 | 151667 | 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 | 151667 | 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 | 87053 | 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 | 87053 | 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 | 87563 | 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 | 87563 | 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 | 163609 | 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 | 163609 | 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 | 65006 | 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 | 65006 | 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 | 89933 | 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 | 89933 | 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 | 141633 | 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 | 141633 | 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 | 164181 | 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 | 164181 | 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 | 155906 | 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 | 155906 | 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 | 160667 | 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 | 160667 | 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 | 160667 | 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 | 161914 | 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 | 161914 | 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 | 163909 | 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 | 163909 | 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 | 121991 | 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 | 121991 | 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 | 199122 | 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 | 199122 | 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 | 182498 | 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 | 182498 | 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 | 81308 | 22 | 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 | 81308 | 22 | 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 | 76867 | 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 | 76867 | 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 | 76867 | 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 | 164069 | 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 | 164069 | 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 | 58524 | 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 | 58524 | 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 | 58546 | 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 | 58546 | 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 | 14743 | 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 | 14743 | 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 | 14743 | 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 | 190698 | 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 | 190698 | 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 | 69673 | 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 | 69673 | 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 | 160533 | 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 | 160533 | 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 | 160533 | 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 | 155535 | 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 | 155535 | 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 | 156215 | 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 | 156215 | 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 | 166116 | 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 | 166116 | 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 | 118631 | 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 | 118631 | 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 | 157608 | 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 | 157608 | 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 | 157662 | 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 | 157662 | 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 | 157841 | 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 | 157841 | 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 | 155604 | 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 | 155604 | 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 | 199336 | 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 | 199336 | 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 | 86105 | 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 | 86105 | 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 | 58533 | 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 | 58533 | 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 | 121992 | 2 | 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 | 121992 | 2 | 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 | 61839 | 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 | 61839 | 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 | 121993 | 1 | 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 | 121993 | 1 | 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 | 163295 | 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 | 163295 | 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 | 58533 | 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 | 58533 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 122151 | 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 | 122151 | 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 | 73699 | 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 | 73699 | 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 | 73702 | 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 | 73702 | 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 | 164635 | 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 | 164635 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 189516 | 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 | 189516 | 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 | 75263 | 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 | 75263 | 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 | 181735 | 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 | 181735 | 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 | 158592 | 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 | 158592 | 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 | 58547 | 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 | 58547 | 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 | 58549 | 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 | 58549 | 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 | 69679 | 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 | 69679 | 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 | 155713 | 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 | 155713 | 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 | 163081 | 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 | 163081 | 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 | 166173 | 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 | 166173 | 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 | 163243 | 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 | 163243 | 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 | 65004 | 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 | 65004 | 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 | 166472 | 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 | 166472 | 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 | 164273 | 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 | 164273 | 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 | 73698 | 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 | 73698 | 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 | 73754 | 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 | 73754 | 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 | 73755 | 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 | 73755 | 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 | 161911 | 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 | 161911 | 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 | 173096 | 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 | 173096 | 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 | 179477 | 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 | 179477 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 164295 | 23 | 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 | 164295 | 23 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 167173 | 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 | 167173 | 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 | 167173 | 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 | 153930 | 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 | 153930 | 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 | 153930 | 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 | 157671 | 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 | 157671 | 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 | 166775 | 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 | 166775 | 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 | 182304 | 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 | 182304 | 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 | 89552 | 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 | 89552 | 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 | 61837 | 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 | 61837 | 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 | 157839 | 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 | 157839 | 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 | 166706 | 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 | 166706 | 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 | 166659 | 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 | 166659 | 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 | 163223 | 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 | 163223 | 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 | 76436 | 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 | 76436 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 162475 | 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 | 162475 | 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 | 75274 | 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 | 75274 | 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 | 163307 | 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 | 163307 | 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 | 118625 | 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 | 118625 | 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 | 118625 | 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 | 118625 | 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 | 179550 | 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 | 179550 | 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 | 75482 | 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 | 75482 | 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 | 73712 | 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 | 73712 | 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 | 141610 | 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 | 141610 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 173488 | 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 | 173488 | 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 | 75260 | 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 | 75260 | 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 | 75266 | 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 | 75266 | 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 | 157463 | 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 | 157463 | 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 | 111169 | 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 | 111169 | 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 | 165359 | 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 | 165359 | 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 | 65010 | 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 | 65010 | 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 | 145730 | 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 | 145730 | 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 | 141734 | 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 | 141734 | 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 | 150060 | 18 | 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 | 150060 | 18 | 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 | 169008 | 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 | 169008 | 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 | 174993 | 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 | 174993 | 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 | 170511 | 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 | 170511 | 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 | 141638 | 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 | 141638 | 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 | 141638 | 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 | 141638 | 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 | 141638 | 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 | 141638 | 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 | 110764 | 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 | 110764 | 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 | 111461 | 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 | 111461 | 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 | 80385 | 25 | 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 | 80385 | 25 | 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 | 181878 | 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 | 181878 | 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 | 111312 | 19 | 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 | 111312 | 19 | 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 | 118628 | 3 | 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 | 118628 | 3 | 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 | 118628 | 3 | 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 | 118628 | 3 | 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 | 111465 | 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 | 111465 | 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 | 111311 | 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 | 111311 | 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 | 118619 | 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 | 118619 | 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 | 118619 | 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 | 118619 | 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 | 169784 | 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 | 169784 | 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 | 58542 | 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 | 58542 | 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 | 58543 | 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 | 58543 | 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 | 58553 | 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 | 58553 | 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 | 73755 | 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 | 73755 | 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 | 163505 | 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 | 163505 | 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 | 122159 | 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 | 122159 | 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 | 58541 | 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 | 58541 | 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 | 163103 | 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 | 163103 | 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 | 141588 | 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 | 141588 | 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 | 89564 | 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 | 89564 | 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 | 89548 | 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 | 89548 | 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 | 58520 | 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 | 58520 | 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 | 58545 | 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 | 58545 | 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 | 121944 | 6 | 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 | 121944 | 6 | 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 | 175627 | 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 | 175627 | 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 | 121994 | 3 | 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 | 121994 | 3 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 162211 | 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 | 162211 | 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 | 158688 | 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 | 158688 | 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 | 167116 | 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 | 167116 | 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 | 167116 | 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 | 163694 | 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 | 163694 | 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 | 121998 | 3 | 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 | 121998 | 3 | 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 | 142756 | 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 | 142756 | 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 | 76480 | 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 | 76480 | 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 | 166038 | 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 | 166038 | 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 | 162412 | 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 | 162412 | 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 | 61818 | 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 | 61818 | 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 | 155395 | 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 | 155395 | 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 | 166620 | 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 | 166620 | 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 | 200757 | 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 | 200757 | 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 | 165839 | 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 | 165839 | 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 | 161860 | 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 | 161860 | 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 | 86114 | 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 | 86114 | 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 | 164135 | 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 | 164135 | 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 | 118621 | 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 | 118621 | 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 | 118621 | 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 | 118621 | 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 | 61833 | 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 | 61833 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 76866 | 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 | 76866 | 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 | 76866 | 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 | 162288 | 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 | 162288 | 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 | 180061 | 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 | 180061 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 58521 | 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 | 58521 | 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 | 163763 | 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 | 163763 | 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 | 158688 | 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 | 158688 | 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 | 158734 | 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 | 158734 | 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 | 111466 | 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 | 111466 | 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 | 122154 | 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 | 122154 | 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 | 141692 | 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 | 141692 | 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 | 65018 | 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 | 65018 | 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 | 75572 | 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 | 75572 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 200711 | 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 | 200711 | 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 | 142730 | 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 | 142730 | 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 | 58540 | 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 | 58540 | 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 | 3822 | 48 | 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 | 3822 | 48 | 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 | 3822 | 48 | 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 | 111463 | 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 | 111463 | 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 | 75476 | 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 | 75476 | 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 | 182873 | 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 | 182873 | 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 | 163602 | 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 | 163602 | 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 | 164029 | 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 | 164029 | 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 | 179288 | 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 | 179288 | 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 | 3822 | 48 | 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 | 3822 | 48 | 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 | 3822 | 48 | 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 | 139461 | 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 | 139461 | 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 | 139461 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 58536 | 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 | 58536 | 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 | 158240 | 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 | 158240 | 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 | 111475 | 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 | 111475 | 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 | 94562 | 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 | 94562 | 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 | 164748 | 66 | 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 | 164748 | 66 | 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 | 69668 | 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 | 69668 | 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 | 122170 | 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 | 122170 | 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 | 158578 | 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 | 158578 | 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 | 156559 | 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 | 156559 | 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 | 76368 | 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 | 76368 | 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 | 190282 | 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 | 190282 | 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 | 170665 | 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 | 170665 | 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 | 163745 | 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 | 163745 | 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 | 167092 | 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 | 167092 | 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 | 167092 | 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 | 167177 | 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 | 167177 | 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 | 167177 | 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 | 73698 | 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 | 73698 | 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 | 73713 | 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 | 73713 | 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 | 164273 | 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 | 164273 | 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 | 89937 | 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 | 89937 | 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 | 139406 | 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 | 139406 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 118630 | 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 | 118630 | 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 | 157774 | 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 | 157774 | 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 | 163614 | 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 | 163614 | 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 | 61471 | 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 | 61471 | 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 | 174813 | 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 | 174813 | 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 | 199385 | 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 | 199385 | 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 | 163452 | 0 | 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 | 163452 | 0 | 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 | 160553 | 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 | 160553 | 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 | 160553 | 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 | 150915 | 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 | 150915 | 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 | 86123 | 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 | 86123 | 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 | 58525 | 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 | 58525 | 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 | 180858 | 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 | 180858 | 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 | 170628 | 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 | 170628 | 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 | 89543 | 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 | 89543 | 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 | 61483 | 20 | 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 | 61483 | 20 | 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 | 58541 | 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 | 58541 | 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 | 138198 | 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 | 138198 | 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 | 190466 | 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 | 190466 | 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 | 159108 | 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 | 159108 | 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 | 166010 | 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 | 166010 | 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 | 156938 | 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 | 156938 | 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 | 80386 | 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 | 80386 | 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 | 166453 | 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 | 166453 | 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 | 86110 | 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 | 86110 | 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 | 165186 | 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 | 165186 | 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 | 141587 | 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 | 141587 | 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 | 61818 | 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 | 61818 | 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 | 58544 | 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 | 58544 | 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 | 111480 | 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 | 111480 | 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 | 122168 | 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 | 122168 | 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 | 111480 | 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 | 111480 | 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 | 167048 | 3 | 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 | 167048 | 3 | 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 | 167048 | 3 | 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 | 141701 | 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 | 141701 | 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 | 86106 | 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 | 86106 | 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 | 89935 | 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 | 89935 | 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 | 89570 | 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 | 89570 | 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 | 58557 | 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 | 58557 | 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 | 58558 | 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 | 58558 | 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 | 165193 | 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 | 165193 | 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 | 158869 | 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 | 158869 | 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 | 163452 | 0 | 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 | 163452 | 0 | 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 | 186107 | 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 | 186107 | 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 | 139680 | 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 | 139680 | 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 | 75919 | 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 | 75919 | 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 | 174373 | 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 | 174373 | 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 | 137145 | 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 | 137145 | 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 | 153629 | 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 | 153629 | 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 | 166693 | 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 | 166693 | 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 | 122187 | 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 | 122187 | 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 | 167092 | 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 | 167092 | 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 | 167092 | 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 | 141595 | 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 | 141595 | 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 | 173097 | 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 | 173097 | 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 | 163531 | 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 | 163531 | 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 | 75631 | 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 | 75631 | 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 | 89549 | 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 | 89549 | 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 | 171442 | 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 | 171442 | 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 | 189859 | 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 | 189859 | 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 | 118620 | 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 | 118620 | 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 | 69508 | 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 | 69508 | 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 | 118620 | 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 | 118620 | 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 | 158578 | 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 | 158578 | 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 | 155594 | 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 | 155594 | 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 | 156363 | 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 | 156363 | 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 | 182304 | 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 | 182304 | 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 | 58522 | 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 | 58522 | 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 | 58522 | 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 | 94139 | 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 | 94139 | 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 | 151842 | 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 | 151842 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 155403 | 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 | 155403 | 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 | 165959 | 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 | 165959 | 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 | 163327 | 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 | 163327 | 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 | 89945 | 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 | 89945 | 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 | 61470 | 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 | 61470 | 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 | 163988 | 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 | 163988 | 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 | 139763 | 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 | 139763 | 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 | 163357 | 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 | 163357 | 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 | 181080 | 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 | 181080 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 138490 | 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 | 138490 | 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 | 139461 | 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 | 139461 | 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 | 139461 | 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 | 161992 | 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 | 161992 | 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 | 110768 | 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 | 110768 | 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 | 80258 | 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 | 80258 | 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 | 111169 | 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 | 111169 | 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 | 111169 | 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 | 111169 | 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 | 158936 | 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 | 158936 | 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 | 61834 | 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 | 61834 | 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 | 89948 | 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 | 89948 | 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 | 184850 | 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 | 184850 | 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 | 184850 | 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 | 184850 | 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 | 166467 | 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 | 166467 | 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 | 155522 | 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 | 155522 | 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 | 58529 | 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 | 58529 | 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 | 180880 | 3 | 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 | 180880 | 3 | 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 | 111461 | 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 | 111461 | 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 | 86094 | 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 | 86094 | 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 | 89941 | 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 | 89941 | 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 | 167173 | 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 | 167173 | 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 | 167173 | 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 | 73702 | 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 | 73702 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 170014 | 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 | 170014 | 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 | 89571 | 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 | 89571 | 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 | 139357 | 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 | 139357 | 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 | 143219 | 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 | 143219 | 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 | 166089 | 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 | 166089 | 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 | 122148 | 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 | 122148 | 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 | 158567 | 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 | 158567 | 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 | 80384 | 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 | 80384 | 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 | 167004 | 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 | 167004 | 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 | 167004 | 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 | 167183 | 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 | 167183 | 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 | 167183 | 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 | 158589 | 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 | 158589 | 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 | 165902 | 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 | 165902 | 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 | 160635 | 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 | 160635 | 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 | 160635 | 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 | 166796 | 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 | 166796 | 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 | 174712 | 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 | 174712 | 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 | 138654 | 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 | 138654 | 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 | 115037 | 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 | 115037 | 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 | 65005 | 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 | 65005 | 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 | 75264 | 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 | 75264 | 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 | 163873 | 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 | 163873 | 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 | 161911 | 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 | 161911 | 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 | 73708 | 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 | 73708 | 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 | 181637 | 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 | 181637 | 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 | 163073 | 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 | 163073 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 89565 | 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 | 89565 | 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 | 164662 | 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 | 164662 | 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 | 87600 | 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 | 87600 | 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 | 86098 | 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 | 86098 | 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 | 75240 | 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 | 75240 | 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 | 189719 | 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 | 189719 | 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 | 190813 | 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 | 190813 | 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 | 157987 | 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 | 157987 | 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 | 161991 | 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 | 161991 | 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 | 80385 | 25 | 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 | 80385 | 25 | 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 | 80385 | 25 | 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 | 80385 | 25 | 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 | 156490 | 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 | 156490 | 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 | 61832 | 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 | 61832 | 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 | 170969 | 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 | 170969 | 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 | 87561 | 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 | 87561 | 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 | 165913 | 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 | 165913 | 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 | 76527 | 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 | 76527 | 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 | 87605 | 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 | 87605 | 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 | 87606 | 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 | 87606 | 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 | 155522 | 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 | 155522 | 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 | 158589 | 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 | 158589 | 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 | 191078 | 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 | 191078 | 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 | 163083 | 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 | 163083 | 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 | 163263 | 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 | 163263 | 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 | 162990 | 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 | 162990 | 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 | 164262 | 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 | 164262 | 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 | 175537 | 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 | 175537 | 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 | 182404 | 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 | 182404 | 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 | 182232 | 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 | 182232 | 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 | 167160 | 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 | 167160 | 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 | 167160 | 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 | 140670 | 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 | 140670 | 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 | 75474 | 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 | 75474 | 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 | 182398 | 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 | 182398 | 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 | 174712 | 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 | 174712 | 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 | 182016 | 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 | 182016 | 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 | 184462 | 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 | 184462 | 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 | 170719 | 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 | 170719 | 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 | 140485 | 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 | 140485 | 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 | 182873 | 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 | 182873 | 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 | 172234 | 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 | 172234 | 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 | 58526 | 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 | 58526 | 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 | 168958 | 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 | 168958 | 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 | 75466 | 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 | 75466 | 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 | 86093 | 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 | 86093 | 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 | 65021 | 4 | 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 | 65021 | 4 | 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 | 191077 | 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 | 191077 | 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 | 173107 | 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 | 173107 | 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 | 121995 | 1 | 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 | 121995 | 1 | 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 | 80249 | 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 | 80249 | 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 | 166980 | 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 | 166980 | 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 | 166980 | 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 | 141587 | 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 | 141587 | 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 | 155635 | 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 | 155635 | 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 | 199402 | 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 | 199402 | 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 | 165891 | 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 | 165891 | 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 | 161767 | 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 | 161767 | 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 | 141588 | 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 | 141588 | 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 | 75923 | 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 | 75923 | 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 | 64995 | 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 | 64995 | 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 | 61829 | 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 | 61829 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 171287 | 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 | 171287 | 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 | 161912 | 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 | 161912 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 169431 | 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 | 169431 | 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 | 153975 | 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 | 153975 | 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 | 153975 | 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 | 157728 | 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 | 157728 | 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 | 180800 | 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 | 180800 | 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 | 137190 | 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 | 137190 | 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 | 163833 | 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 | 163833 | 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 | 141610 | 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 | 141610 | 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 | 86116 | 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 | 86116 | 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 | 138469 | 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 | 138469 | 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 | 87563 | 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 | 87563 | 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 | 161641 | 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 | 161641 | 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 | 143848 | 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 | 143848 | 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 | 61825 | 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 | 61825 | 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 | 162373 | 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 | 162373 | 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 | 161911 | 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 | 161911 | 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 | 65023 | 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 | 65023 | 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 | 80259 | 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 | 80259 | 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 | 111466 | 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 | 111466 | 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 | 191065 | 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 | 191065 | 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 | 145109 | 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 | 145109 | 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 | 86096 | 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 | 86096 | 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 | 163727 | 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 | 163727 | 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 | 138460 | 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 | 138460 | 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 | 166091 | 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 | 166091 | 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 | 64992 | 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 | 64992 | 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 | 199430 | 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 | 199430 | 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 | 141605 | 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 | 141605 | 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 | 141588 | 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 | 141588 | 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 | 123461 | 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 | 123461 | 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 | 173432 | 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 | 173432 | 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 | 65022 | 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 | 65022 | 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 | 156983 | 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 | 156983 | 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 | 94139 | 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 | 94139 | 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 | 139699 | 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 | 139699 | 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 | 166095 | 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 | 166095 | 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 | 160930 | 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 | 160930 | 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 | 61824 | 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 | 61824 | 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 | 61483 | 20 | 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 | 61483 | 20 | 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 | 180616 | 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 | 180616 | 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 | 156744 | 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 | 156744 | 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 | 181872 | 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 | 181872 | 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 | 156215 | 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 | 156215 | 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 | 141908 | 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 | 141908 | 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 | 86125 | 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 | 86125 | 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 | 61475 | 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 | 61475 | 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 | 75917 | 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 | 75917 | 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 | 161726 | 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 | 161726 | 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 | 199351 | 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 | 199351 | 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 | 58528 | 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 | 58528 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 173731 | 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 | 173731 | 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 | 139461 | 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 | 139461 | 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 | 139461 | 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 | 3822 | 48 | 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 | 3822 | 48 | 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 | 3822 | 48 | 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 | 3822 | 48 | 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 | 3822 | 48 | 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 | 3822 | 48 | 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 | 3825 | 5 | 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 | 3825 | 5 | 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 | 3825 | 5 | 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 | 163647 | 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 | 163647 | 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 | 191079 | 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 | 191079 | 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 | 156263 | 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 | 156263 | 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 | 157999 | 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 | 157999 | 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 | 158128 | 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 | 158128 | 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 | 159114 | 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 | 159114 | 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 | 159108 | 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 | 159108 | 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 | 155348 | 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 | 155348 | 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 | 153943 | 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 | 153943 | 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 | 153943 | 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 | 61824 | 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 | 61824 | 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 | 61475 | 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 | 61475 | 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 | 163671 | 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 | 163671 | 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 | 58519 | 59 | 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 | 58519 | 59 | 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 | 121996 | 5 | 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 | 121996 | 5 | 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 | 161991 | 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 | 161991 | 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 | 166444 | 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 | 166444 | 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 | 3822 | 48 | 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 | 3822 | 48 | 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 | 3822 | 48 | 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 | 181924 | 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 | 181924 | 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 | 89553 | 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 | 89553 | 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 | 86104 | 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 | 86104 | 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 | 164173 | 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 | 164173 | 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 | 138281 | 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 | 138281 | 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 | 170147 | 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 | 170147 | 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 | 159255 | 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 | 159255 | 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 | 167160 | 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 | 167160 | 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 | 167160 | 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 | 177646 | 59 | 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 | 177646 | 59 | 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 | 86097 | 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 | 86097 | 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 | 139738 | 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 | 139738 | 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 | 58530 | 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 | 58530 | 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 | 176885 | 2 | 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 | 176885 | 2 | 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 | 164029 | 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 | 164029 | 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 | 162288 | 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 | 162288 | 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 | 61833 | 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 | 61833 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 138614 | 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 | 138614 | 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 | 198630 | 13 | 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 | 198630 | 13 | 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 | 198853 | 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 | 198853 | 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 | 121942 | 2 | 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 | 121942 | 2 | 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 | 65012 | 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 | 65012 | 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 | 61481 | 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 | 61481 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 74123 | 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 | 74123 | 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 | 74123 | 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 | 61825 | 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 | 61825 | 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 | 180347 | 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 | 180347 | 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 | 138312 | 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 | 138312 | 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 | 76937 | 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 | 76937 | 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 | 80384 | 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 | 80384 | 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 | 189531 | 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 | 189531 | 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 | 190392 | 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 | 190392 | 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 | 198853 | 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 | 198853 | 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 | 157226 | 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 | 157226 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 138615 | 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 | 138615 | 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 | 58531 | 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 | 58531 | 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 | 73703 | 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 | 73703 | 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 | 122173 | 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 | 122173 | 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 | 111477 | 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 | 111477 | 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 | 123450 | 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 | 123450 | 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 | 191541 | 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 | 191541 | 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 | 155771 | 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 | 155771 | 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 | 157204 | 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 | 157204 | 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 | 73701 | 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 | 73701 | 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 | 170502 | 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 | 170502 | 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 | 139475 | 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 | 139475 | 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 | 118627 | 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 | 118627 | 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 | 118627 | 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 | 118627 | 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 | 182232 | 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 | 182232 | 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 | 166974 | 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 | 166974 | 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 | 166974 | 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 | 141701 | 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 | 141701 | 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 | 118489 | 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 | 118489 | 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 | 118489 | 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 | 118489 | 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 | 166882 | 3 | 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 | 166882 | 3 | 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 | 58541 | 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 | 58541 | 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 | 58541 | 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 | 58541 | 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 | 58541 | 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 | 58541 | 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 | 3823 | 49 | 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 | 3823 | 49 | 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 | 3823 | 49 | 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 | 167183 | 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 | 167183 | 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 | 167183 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 158021 | 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 | 158021 | 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 | 161886 | 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 | 161886 | 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 | 166444 | 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 | 166444 | 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 | 146734 | 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 | 146734 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 58533 | 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 | 58533 | 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 | 121945 | 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 | 121945 | 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 | 155345 | 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 | 155345 | 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 | 157507 | 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 | 157507 | 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 | 157872 | 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 | 157872 | 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 | 198853 | 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 | 198853 | 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 | 45723 | 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 | 45723 | 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 | 86373 | 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 | 86373 | 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 | 141595 | 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 | 141595 | 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 | 3824 | 54 | 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 | 3824 | 54 | 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 | 3824 | 54 | 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 | 152551 | 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 | 152551 | 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 | 161317 | 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 | 161317 | 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 | 138601 | 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 | 138601 | 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 | 164149 | 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 | 164149 | 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 | 166549 | 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 | 166549 | 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 | 139230 | 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 | 139230 | 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 | 160785 | 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 | 160785 | 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 | 198883 | 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 | 198883 | 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 | 61835 | 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 | 61835 | 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 | 163117 | 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 | 163117 | 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 | 74658 | 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 | 74658 | 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 | 174798 | 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 | 174798 | 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 | 170788 | 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 | 170788 | 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 | 58519 | 59 | 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 | 58519 | 59 | 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 | 156658 | 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 | 156658 | 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 | 73759 | 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 | 73759 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 75913 | 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 | 75913 | 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 | 184577 | 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 | 184577 | 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 | 65009 | 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 | 65009 | 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 | 138546 | 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 | 138546 | 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 | 162193 | 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 | 162193 | 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 | 61825 | 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 | 61825 | 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 | 111463 | 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 | 111463 | 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 | 163546 | 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 | 163546 | 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 | 89563 | 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 | 89563 | 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 | 58535 | 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 | 58535 | 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 | 190929 | 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 | 190929 | 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 | 159070 | 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 | 159070 | 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 | 166829 | 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 | 166829 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 184745 | 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 | 184745 | 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 | 167183 | 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 | 167183 | 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 | 167183 | 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 | 75910 | 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 | 75910 | 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 | 86118 | 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 | 86118 | 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 | 65011 | 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 | 65011 | 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 | 61477 | 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 | 61477 | 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 | 3824 | 54 | 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 | 3824 | 54 | 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 | 3824 | 54 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 122164 | 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 | 122164 | 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 | 61827 | 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 | 61827 | 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 | 157209 | 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 | 157209 | 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 | 139288 | 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 | 139288 | 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 | 138281 | 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 | 138281 | 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 | 164481 | 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 | 164481 | 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 | 61480 | 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 | 61480 | 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 | 77228 | 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 | 77228 | 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 | 58548 | 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 | 58548 | 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 | 156197 | 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 | 156197 | 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 | 199112 | 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 | 199112 | 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 | 162387 | 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 | 162387 | 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 | 141701 | 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 | 141701 | 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 | 167155 | 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 | 167155 | 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 | 167155 | 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 | 172488 | 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 | 172488 | 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 | 162989 | 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 | 162989 | 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 | 163865 | 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 | 163865 | 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 | 162436 | 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 | 162436 | 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 | 169555 | 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 | 169555 | 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 | 157281 | 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 | 157281 | 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 | 123450 | 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 | 123450 | 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 | 161492 | 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 | 161492 | 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 | 89540 | 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 | 89540 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 121946 | 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 | 121946 | 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 | 190209 | 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 | 190209 | 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 | 191819 | 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 | 191819 | 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 | 73700 | 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 | 73700 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 111464 | 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 | 111464 | 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 | 167141 | 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 | 167141 | 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 | 167141 | 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 | 152191 | 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 | 152191 | 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 | 161489 | 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 | 161489 | 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 | 141734 | 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 | 141734 | 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 | 170665 | 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 | 170665 | 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 | 198852 | 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 | 198852 | 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 | 200760 | 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 | 200760 | 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 | 180880 | 3 | 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 | 180880 | 3 | 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 | 170650 | 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 | 170650 | 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 | 58519 | 59 | 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 | 58519 | 59 | 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 | 163039 | 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 | 163039 | 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 | 163205 | 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 | 163205 | 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 | 61474 | 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 | 61474 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 153983 | 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 | 153983 | 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 | 153983 | 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 | 156090 | 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 | 156090 | 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 | 181425 | 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 | 181425 | 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 | 89551 | 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 | 89551 | 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 | 199428 | 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 | 199428 | 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 | 141587 | 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 | 141587 | 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 | 89560 | 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 | 89560 | 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 | 89568 | 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 | 89568 | 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 | 121938 | 4 | 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 | 121938 | 4 | 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 | 122174 | 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 | 122174 | 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 | 156225 | 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 | 156225 | 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 | 122178 | 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 | 122178 | 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 | 156894 | 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 | 156894 | 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 | 58533 | 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 | 58533 | 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 | 75197 | 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 | 75197 | 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 | 172054 | 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 | 172054 | 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 | 58525 | 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 | 58525 | 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 | 158959 | 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 | 158959 | 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 | 161805 | 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 | 161805 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 163750 | 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 | 163750 | 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 | 58525 | 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 | 58525 | 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 | 156180 | 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 | 156180 | 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 | 73706 | 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 | 73706 | 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 | 86091 | 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 | 86091 | 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 | 121936 | 18 | 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 | 121936 | 18 | 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 | 69683 | 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 | 69683 | 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 | 141613 | 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 | 141613 | 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 | 174940 | 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 | 174940 | 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 | 186108 | 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 | 186108 | 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 | 138369 | 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 | 138369 | 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 | 69670 | 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 | 69670 | 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 | 155816 | 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 | 155816 | 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 | 122149 | 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 | 122149 | 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 | 139756 | 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 | 139756 | 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 | 139761 | 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 | 139761 | 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 | 166432 | 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 | 166432 | 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 | 169247 | 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 | 169247 | 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 | 173218 | 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 | 173218 | 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 | 157785 | 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 | 157785 | 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 | 170688 | 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 | 170688 | 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 | 61825 | 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 | 61825 | 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 | 175762 | 89 | 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 | 175762 | 89 | 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 | 110762 | 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 | 110762 | 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 | 113764 | 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 | 113764 | 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 | 3823 | 49 | 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 | 3823 | 49 | 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 | 3823 | 49 | 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 | 163505 | 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 | 163505 | 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 | 58541 | 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 | 58541 | 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 | 58541 | 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 | 58541 | 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 | 170999 | 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 | 170999 | 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 | 181966 | 9 | 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 | 181966 | 9 | 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 | 3823 | 49 | 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 | 3823 | 49 | 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 | 3823 | 49 | 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 | 118618 | 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 | 118618 | 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 | 118618 | 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 | 118618 | 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 | 182295 | 4 | 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 | 182295 | 4 | 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 | 58534 | 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 | 58534 | 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 | 110767 | 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 | 110767 | 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 | 58554 | 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 | 58554 | 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 | 167004 | 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 | 167004 | 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 | 167004 | 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 | 170999 | 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 | 170999 | 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 | 140700 | 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 | 140700 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 170650 | 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 | 170650 | 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 | 155628 | 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 | 155628 | 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 | 98272 | 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 | 98272 | 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 | 75909 | 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 | 75909 | 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 | 75920 | 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 | 75920 | 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 | 64998 | 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 | 64998 | 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 | 64994 | 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 | 64994 | 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 | 98272 | 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 | 98272 | 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 | 123461 | 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 | 123461 | 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 | 181878 | 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 | 181878 | 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 | 141605 | 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 | 141605 | 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 | 138328 | 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 | 138328 | 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 | 164927 | 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 | 164927 | 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 | 89572 | 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 | 89572 | 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 | 121947 | 3 | 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 | 121947 | 3 | 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 | 191301 | 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 | 191301 | 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 | 161588 | 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 | 161588 | 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 | 165898 | 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 | 165898 | 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 | 160477 | 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 | 160477 | 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 | 160477 | 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 | 156780 | 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 | 156780 | 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 | 156306 | 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 | 156306 | 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 | 137146 | 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 | 137146 | 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 | 89944 | 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 | 89944 | 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 | 64996 | 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 | 64996 | 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 | 106687 | 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 | 106687 | 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 | 118624 | 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 | 118624 | 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 | 118624 | 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 | 118624 | 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 | 179080 | 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 | 179080 | 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 | 115164 | 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 | 115164 | 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 | 115164 | 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 | 115164 | 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 | 115164 | 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 | 115164 | 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 | 69676 | 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 | 69676 | 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 | 159185 | 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 | 159185 | 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 | 69677 | 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 | 69677 | 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 | 156388 | 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 | 156388 | 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 | 157695 | 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 | 157695 | 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 | 189650 | 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 | 189650 | 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 | 163653 | 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 | 163653 | 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 | 198850 | 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 | 198850 | 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 | 118626 | 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 | 118626 | 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 | 118626 | 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 | 118626 | 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 | 122165 | 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 | 122165 | 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 | 58525 | 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 | 58525 | 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 | 164040 | 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 | 164040 | 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 | 89502 | 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 | 89502 | 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 | 158421 | 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 | 158421 | 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 | 149916 | 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 | 149916 | 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 | 75911 | 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 | 75911 | 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 | 75911 | 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 | 75918 | 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 | 75918 | 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 | 142291 | 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 | 142291 | 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 | 61468 | 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 | 61468 | 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 | 147487 | 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 | 147487 | 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 | 69675 | 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 | 69675 | 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 | 170688 | 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 | 170688 | 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 | 179648 | 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 | 179648 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 138227 | 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 | 138227 | 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 | 157329 | 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 | 157329 | 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 | 166312 | 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 | 166312 | 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 | 155283 | 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 | 155283 | 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 | 161691 | 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 | 161691 | 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 | 197553 | 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 | 197553 | 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 | 192081 | 21 | 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 | 192081 | 21 | 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 | 3824 | 54 | 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 | 3824 | 54 | 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 | 3824 | 54 | 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 | 158901 | 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 | 158901 | 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 | 122172 | 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 | 122172 | 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 | 111464 | 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 | 111464 | 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 | 111472 | 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 | 111472 | 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 | 182904 | 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 | 182904 | 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 | 89569 | 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 | 89569 | 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 | 123451 | 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 | 123451 | 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 | 80248 | 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 | 80248 | 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 | 190663 | 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 | 190663 | 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 | 170890 | 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 | 170890 | 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 | 157385 | 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 | 157385 | 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 | 106687 | 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 | 106687 | 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 | 167091 | 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 | 167091 | 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 | 167091 | 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 | 163565 | 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 | 163565 | 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 | 74140 | 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 | 74140 | 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 | 89567 | 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 | 89567 | 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 | 65001 | 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 | 65001 | 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 | 94562 | 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 | 94562 | 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 | 139685 | 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 | 139685 | 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 | 175022 | 7 | 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 | 175022 | 7 | 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 | 163602 | 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 | 163602 | 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 | 156143 | 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 | 156143 | 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 | 89554 | 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 | 89554 | 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 | 75222 | 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 | 75222 | 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 | 190056 | 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 | 190056 | 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 | 180272 | 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 | 180272 | 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 | 69674 | 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 | 69674 | 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 | 142148 | 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 | 142148 | 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 | 163740 | 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 | 163740 | 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 | 58524 | 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 | 58524 | 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 | 39 | 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 | 39 | 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 | 39 | 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 | 142843 | 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 | 142843 | 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 | 181242 | 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 | 181242 | 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 | 138210 | 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 | 138210 | 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 | 121948 | 1 | 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 | 121948 | 1 | 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 | 80255 | 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 | 80255 | 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 | 156530 | 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 | 156530 | 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 | 158712 | 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 | 158712 | 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 | 191872 | 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 | 191872 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 184745 | 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 | 184745 | 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 | 61820 | 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 | 61820 | 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 | 164952 | 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 | 164952 | 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 | 199262 | 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 | 199262 | 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 | 199994 | 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 | 199994 | 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 | 118622 | 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 | 118622 | 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 | 118622 | 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 | 118622 | 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 | 73704 | 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 | 73704 | 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 | 139058 | 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 | 139058 | 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 | 163637 | 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 | 163637 | 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 | 61464 | 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 | 61464 | 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 | 123451 | 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 | 123451 | 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 | 174194 | 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 | 174194 | 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 | 80256 | 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 | 80256 | 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 | 166280 | 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 | 166280 | 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 | 155904 | 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 | 155904 | 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 | 163325 | 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 | 163325 | 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 | 163289 | 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 | 163289 | 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 | 141595 | 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 | 141595 | 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 | 122167 | 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 | 122167 | 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 | 141626 | 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 | 141626 | 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 | 181504 | 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 | 181504 | 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 | 122177 | 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 | 122177 | 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 | 180061 | 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 | 180061 | 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 | 111307 | 3 | 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 | 111307 | 3 | 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 | 58541 | 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 | 58541 | 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 | 141626 | 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 | 141626 | 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 | 164658 | 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 | 164658 | 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 | 170705 | 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 | 170705 | 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 | 155407 | 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 | 155407 | 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 | 157003 | 3 | 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 | 157003 | 3 | 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 | 178407 | 11 | 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 | 178407 | 11 | 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 | 73703 | 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 | 73703 | 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 | 178892 | 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 | 178892 | 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 | 86127 | 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 | 86127 | 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 | 121939 | 4 | 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 | 121939 | 4 | 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 | 166353 | 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 | 166353 | 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 | 61840 | 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 | 61840 | 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 | 64999 | 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 | 64999 | 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 | 152187 | 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 | 152187 | 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 | 61824 | 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 | 61824 | 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 | 111462 | 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 | 111462 | 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 | 163075 | 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 | 163075 | 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 | 80385 | 25 | 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 | 80385 | 25 | 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 | 156143 | 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 | 156143 | 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 | 161477 | 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 | 161477 | 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 | 158920 | 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 | 158920 | 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 | 182479 | 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 | 182479 | 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 | 89947 | 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 | 89947 | 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 | 198812 | 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 | 198812 | 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 | 171328 | 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 | 171328 | 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 | 157774 | 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 | 157774 | 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 | 89576 | 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 | 89576 | 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 | 138218 | 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 | 138218 | 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 | 173427 | 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 | 173427 | 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 | 180621 | 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 | 180621 | 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 | 156894 | 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 | 156894 | 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 | 157925 | 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 | 157925 | 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 | 184841 | 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 | 184841 | 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 | 163947 | 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 | 163947 | 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 | 89930 | 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 | 89930 | 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 | 89539 | 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 | 89539 | 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 | 89575 | 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 | 89575 | 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 | 163917 | 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 | 163917 | 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 | 158235 | 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 | 158235 | 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 | 61477 | 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 | 61477 | 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 | 137288 | 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 | 137288 | 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 | 61476 | 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 | 61476 | 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 | 65007 | 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 | 65007 | 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 | 178407 | 11 | 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 | 178407 | 11 | 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 | 190546 | 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 | 190546 | 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 | 183938 | 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 | 183938 | 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 | 167004 | 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 | 167004 | 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 | 167004 | 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 | 2255 | 92 | 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 | 2255 | 92 | 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 | 2255 | 92 | 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 | 2255 | 92 | 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 | 2255 | 92 | 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 | 87860 | 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 | 87860 | 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 | 61840 | 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 | 61840 | 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 | 3824 | 54 | 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 | 3824 | 54 | 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 | 3824 | 54 | 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 | 165187 | 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 | 165187 | 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 | 139706 | 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 | 139706 | 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 | 111478 | 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 | 111478 | 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 | 94562 | 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 | 94562 | 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 | 141701 | 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 | 141701 | 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 | 166126 | 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 | 166126 | 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 | 157302 | 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 | 157302 | 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 | 154047 | 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 | 154047 | 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 | 154047 | 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 | 61824 | 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 | 61824 | 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 | 80254 | 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 | 80254 | 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 | 69681 | 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 | 69681 | 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 | 137312 | 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 | 137312 | 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 | 161693 | 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 | 161693 | 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 | 200288 | 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 | 200288 | 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 | 111480 | 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 | 111480 | 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 | 155345 | 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 | 155345 | 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 | 94562 | 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 | 94562 | 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 | 111479 | 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 | 111479 | 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 | 80384 | 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 | 80384 | 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 | 80384 | 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 | 80384 | 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 | 139119 | 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 | 139119 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 163442 | 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 | 163442 | 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 | 65020 | 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 | 65020 | 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 | 75924 | 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 | 75924 | 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 | 75924 | 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 | 87603 | 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 | 87603 | 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 | 149010 | 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 | 149010 | 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 | 65019 | 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 | 65019 | 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 | 87860 | 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 | 87860 | 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 | 156423 | 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 | 156423 | 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 | 157971 | 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 | 157971 | 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 | 171991 | 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 | 171991 | 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 | 164262 | 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 | 164262 | 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 | 58554 | 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 | 58554 | 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 | 158953 | 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 | 158953 | 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 | 181966 | 9 | 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 | 181966 | 9 | 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 | 167055 | 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 | 167055 | 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 | 167055 | 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 | 182904 | 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 | 182904 | 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 | 111471 | 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 | 111471 | 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 | 58554 | 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 | 58554 | 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 | 110725 | 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 | 110725 | 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 | 164009 | 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 | 164009 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 169097 | 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 | 169097 | 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 | 172536 | 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 | 172536 | 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 | 162467 | 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 | 162467 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 156677 | 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 | 156677 | 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 | 167113 | 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 | 167113 | 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 | 167113 | 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 | 167165 | 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 | 167165 | 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 | 167165 | 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 | 202252 | 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 | 202252 | 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 | 166227 | 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 | 166227 | 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 | 166656 | 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 | 166656 | 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 | 155834 | 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 | 155834 | 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 | 111469 | 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 | 111469 | 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 | 138648 | 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 | 138648 | 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 | 58533 | 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 | 58533 | 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 | 153938 | 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 | 153938 | 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 | 153938 | 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 | 169784 | 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 | 169784 | 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 | 143377 | 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 | 143377 | 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 | 86095 | 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 | 86095 | 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 | 202252 | 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 | 202252 | 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 | 141692 | 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 | 141692 | 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 | 58550 | 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 | 58550 | 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 | 157614 | 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 | 157614 | 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 | 118623 | 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 | 118623 | 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 | 156983 | 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 | 156983 | 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 | 158592 | 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 | 158592 | 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 | 89555 | 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 | 89555 | 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 | 162291 | 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 | 162291 | 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 | 94222 | 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 | 94222 | 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 | 156181 | 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 | 156181 | 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 | 163133 | 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 | 163133 | 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 | 118623 | 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 | 118623 | 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 | 182716 | 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 | 182716 | 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 | 61480 | 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 | 61480 | 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 | 86122 | 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 | 86122 | 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 | 138603 | 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 | 138603 | 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 | 61479 | 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 | 61479 | 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 | 166115 | 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 | 166115 | 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 | 58519 | 59 | 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 | 58519 | 59 | 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 | 167160 | 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 | 167160 | 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 | 167160 | 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 | 73757 | 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 | 73757 | 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 | 181849 | 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 | 181849 | 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 | 111463 | 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 | 111463 | 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 | 166841 | 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 | 166841 | 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 | 164069 | 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 | 164069 | 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 | 61826 | 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 | 61826 | 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 | 191015 | 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 | 191015 | 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 | 138287 | 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 | 138287 | 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 | 75914 | 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 | 75914 | 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 | 137311 | 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 | 137311 | 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 | 157971 | 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 | 157971 | 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 | 164284 | 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 | 164284 | 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 | 182537 | 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 | 182537 | 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 | 170585 | 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 | 170585 | 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 | 156423 | 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 | 156423 | 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 | 139407 | 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 | 139407 | 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 | 174993 | 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 | 174993 | 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 | 184722 | 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 | 184722 | 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 | 1134 | 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 | 1134 | 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 | 1134 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 191322 | 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 | 191322 | 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 | 61837 | 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 | 61837 | 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 | 163301 | 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 | 163301 | 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 | 200443 | 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 | 200443 | 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 | 89573 | 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 | 89573 | 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 | 61826 | 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 | 61826 | 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 | 190717 | 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 | 190717 | 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 | 157011 | 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 | 157011 | 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 | 155627 | 3 | 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 | 155627 | 3 | 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 | 158751 | 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 | 158751 | 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 | 122161 | 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 | 122161 | 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 | 170999 | 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 | 170999 | 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 | 86119 | 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 | 86119 | 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 | 185665 | 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 | 185665 | 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 | 61476 | 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 | 61476 | 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 | 139376 | 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 | 139376 | 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 | 159101 | 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 | 159101 | 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 | 186105 | 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 | 186105 | 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 | 180880 | 3 | 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 | 180880 | 3 | 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 | 162990 | 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 | 162990 | 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 | 163289 | 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 | 163289 | 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 | 111314 | 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 | 111314 | 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 | 155253 | 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 | 155253 | 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 | 163272 | 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 | 163272 | 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 | 145086 | 4 | 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 | 145086 | 4 | 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 | 145086 | 4 | 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 | 145086 | 4 | 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 | 3825 | 5 | 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 | 3825 | 5 | 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 | 3825 | 5 | 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 | 75630 | 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 | 75630 | 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 | 139450 | 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 | 139450 | 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 | 111468 | 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 | 111468 | 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 | 81380 | 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 | 81380 | 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 | 161769 | 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 | 161769 | 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 | 180347 | 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 | 180347 | 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 | 180616 | 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 | 180616 | 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 | 179529 | 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 | 179529 | 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 | 58556 | 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 | 58556 | 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 | 122184 | 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 | 122184 | 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 | 162957 | 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 | 162957 | 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 | 164275 | 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 | 164275 | 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 | 197800 | 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 | 197800 | 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 | 166305 | 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 | 166305 | 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 | 141613 | 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 | 141613 | 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 | 170502 | 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 | 170502 | 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 | 139245 | 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 | 139245 | 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 | 80253 | 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 | 80253 | 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 | 69669 | 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 | 69669 | 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 | 156475 | 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 | 156475 | 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 | 73760 | 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 | 73760 | 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 | 61479 | 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 | 61479 | 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 | 192849 | 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 | 192849 | 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 | 189692 | 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 | 189692 | 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 | 111470 | 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 | 111470 | 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 | 58520 | 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 | 58520 | 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 | 65002 | 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 | 65002 | 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 | 141587 | 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 | 141587 | 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 | 115163 | 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 | 115163 | 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 | 167055 | 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 | 167055 | 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 | 167055 | 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 | 157484 | 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 | 157484 | 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 | 143247 | 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 | 143247 | 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 | 198921 | 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 | 198921 | 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 | 61827 | 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 | 61827 | 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 | 86113 | 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 | 86113 | 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 | 165356 | 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 | 165356 | 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 | 75912 | 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 | 75912 | 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 | 86107 | 0 | 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 | 86107 | 0 | 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 | 161691 | 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 | 161691 | 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 | 61823 | 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 | 61823 | 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 | 162015 | 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 | 162015 | 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 | 89557 | 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 | 89557 | 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 | 155455 | 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 | 155455 | 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 | 73700 | 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 | 73700 | 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 | 149825 | 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 | 149825 | 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 | 61829 | 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 | 61829 | 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 | 86129 | 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 | 86129 | 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 | 186104 | 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 | 186104 | 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 | 164144 | 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 | 164144 | 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 | 61834 | 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 | 61834 | 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 | 75924 | 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 | 75924 | 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 | 75924 | 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 | 65003 | 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 | 65003 | 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 | 186104 | 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 | 186104 | 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 | 197662 | 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 | 197662 | 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 | 111474 | 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 | 111474 | 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 | 138209 | 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 | 138209 | 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 | 139191 | 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 | 139191 | 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 | 73756 | 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 | 73756 | 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 | 155624 | 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 | 155624 | 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 | 161724 | 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 | 161724 | 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 | 87518 | 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 | 87518 | 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 | 164280 | 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 | 164280 | 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 | 94139 | 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 | 94139 | 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 | 122157 | 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 | 122157 | 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 | 61821 | 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 | 61821 | 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 | 180138 | 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 | 180138 | 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 | 183360 | 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 | 183360 | 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 | 86130 | 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 | 86130 | 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 | 183360 | 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 | 183360 | 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 | 2706 | 5 | 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 | 2706 | 5 | 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 | 2706 | 5 | 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 | 122156 | 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 | 122156 | 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 | 165923 | 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 | 165923 | 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 | 61831 | 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 | 61831 | 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 | 75480 | 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 | 75480 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 137253 | 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 | 137253 | 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 | 183653 | 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 | 183653 | 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 | 183942 | 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 | 183942 | 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 | 184195 | 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 | 184195 | 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 | 136234 | 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 | 136234 | 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 | 144829 | 8 | 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 | 144829 | 8 | 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 | 136149 | 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 | 136149 | 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 | 142321 | 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 | 142321 | 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 | 183629 | 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 | 183629 | 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 | 183943 | 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 | 183943 | 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 | 136133 | 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 | 136133 | 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 | 136053 | 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 | 136053 | 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 | 136118 | 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 | 136118 | 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 | 142472 | 13 | 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 | 142472 | 13 | 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 | 183652 | 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 | 183652 | 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 | 184121 | 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 | 184121 | 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 | 136157 | 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 | 136157 | 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 | 136377 | 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 | 136377 | 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 | 136383 | 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 | 136383 | 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 | 143707 | 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 | 143707 | 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 | 136200 | 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 | 136200 | 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 | 136208 | 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 | 136208 | 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 | 149517 | 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 | 149517 | 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 | 184106 | 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 | 184106 | 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 | 184328 | 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 | 184328 | 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 | 184202 | 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 | 184202 | 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 | 183696 | 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 | 183696 | 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 | 150474 | 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 | 150474 | 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 | 136353 | 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 | 136353 | 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 | 136079 | 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 | 136079 | 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 | 136089 | 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 | 136089 | 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 | 136269 | 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 | 136269 | 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 | 136336 | 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 | 136336 | 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 | 136226 | 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 | 136226 | 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 | 150744 | 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 | 150744 | 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 | 94595 | 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 | 94595 | 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 | 147289 | 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 | 147289 | 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 | 190888 | 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 | 190888 | 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 | 184107 | 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 | 184107 | 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 | 136233 | 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 | 136233 | 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 | 136274 | 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 | 136274 | 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 | 136326 | 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 | 136326 | 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 | 136307 | 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 | 136307 | 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 | 146166 | 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 | 146166 | 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 | 148815 | 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 | 148815 | 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 | 136066 | 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 | 136066 | 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 | 136140 | 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 | 136140 | 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 | 136158 | 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 | 136158 | 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 | 136176 | 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 | 136176 | 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 | 136217 | 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 | 136217 | 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 | 136242 | 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 | 136242 | 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 | 136256 | 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 | 136256 | 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 | 190999 | 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 | 190999 | 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 | 151724 | 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 | 151724 | 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 | 136261 | 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 | 136261 | 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 | 136292 | 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 | 136292 | 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 | 136294 | 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 | 136294 | 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 | 136330 | 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 | 136330 | 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 | 168297 | 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 | 168297 | 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 | 152943 | 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 | 152943 | 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 | 136311 | 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 | 136311 | 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 | 136090 | 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 | 136090 | 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 | 136161 | 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 | 136161 | 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 | 136324 | 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 | 136324 | 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 | 136268 | 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 | 136268 | 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 | 136267 | 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 | 136267 | 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 | 136182 | 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 | 136182 | 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 | 136177 | 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 | 136177 | 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 | 136203 | 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 | 136203 | 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 | 136060 | 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 | 136060 | 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 | 147114 | 45 | 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 | 147114 | 45 | 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 | 183695 | 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 | 183695 | 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 | 184339 | 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 | 184339 | 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 | 177646 | 59 | 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 | 177646 | 59 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 3319 | 111 | None | - | 1 | 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 | 3319 | 111 | None | - | 1 | 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 | 3319 | 111 | None | - | 1 | 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 | 3319 | 111 | None | - | 1 | 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 | 3319 | 111 | None | - | 1 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2872 | 0 | None | 1 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | None | ||
3400 | 2872 | 0 | None | 1 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | None | ||
445639 | 2872 | 0 | None | 1 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | None | ||
CHEMBL8659 | 2872 | 0 | None | 1 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | None | ||
1051 | 1427 | 56 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 2255 | 92 | None | -1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | None | ||
4642 | 2255 | 92 | None | -1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | None | ||
5534 | 2255 | 92 | None | -1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | None | ||
CHEMBL108766 | 2255 | 92 | None | -1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | None | ||
DB03017 | 2255 | 92 | None | -1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 200 | 10 | 1 | 1 | 4.0 | CCCCCCCCCCCC(=O)O | None | ||
10043 | 3537 | 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 | 3537 | 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 | 3537 | 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 | 3537 | 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 | 2945 | 100 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12496284 | ||
1055 | 2945 | 100 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12565875 | ||
1055 | 2945 | 100 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12629551 | ||
135369651 | 2945 | 100 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12496284 | ||
135369651 | 2945 | 100 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12565875 | ||
135369651 | 2945 | 100 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12629551 | ||
985 | 2945 | 100 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12496284 | ||
985 | 2945 | 100 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12565875 | ||
985 | 2945 | 100 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12629551 | ||
CHEMBL82293 | 2945 | 100 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12496284 | ||
CHEMBL82293 | 2945 | 100 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12565875 | ||
CHEMBL82293 | 2945 | 100 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12629551 | ||
DB03796 | 2945 | 100 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12496284 | ||
DB03796 | 2945 | 100 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12565875 | ||
DB03796 | 2945 | 100 | None | -2884 | 2 | Human | 4.6 | pEC50 | = | 4.6 | Functional | Guide to Pharmacology | 256 | 14 | 1 | 1 | 5.6 | CCCCCCCCCCCCCCCC(=O)O | 12629551 | ||
1054 | 2872 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 12496284 | ||
1054 | 2872 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 12565875 | ||
1054 | 2872 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 12629551 | ||
3400 | 2872 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 12496284 | ||
3400 | 2872 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 12565875 | ||
3400 | 2872 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 12629551 | ||
445639 | 2872 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 12496284 | ||
445639 | 2872 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 12565875 | ||
445639 | 2872 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 12629551 | ||
CHEMBL8659 | 2872 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 12496284 | ||
CHEMBL8659 | 2872 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 12565875 | ||
CHEMBL8659 | 2872 | 0 | None | 1 | 2 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 282 | 15 | 1 | 1 | 6.1 | CCCCCCCC/C=C\CCCCCCCC(=O)O | 12629551 | ||
11005 | 2654 | 100 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 228 | 12 | 1 | 1 | 4.8 | CCCCCCCCCCCCCC(=O)O | 12496284 | ||
11005 | 2654 | 100 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 228 | 12 | 1 | 1 | 4.8 | CCCCCCCCCCCCCC(=O)O | 12565875 | ||
11005 | 2654 | 100 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 228 | 12 | 1 | 1 | 4.8 | CCCCCCCCCCCCCC(=O)O | 12629551 | ||
2806 | 2654 | 100 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 228 | 12 | 1 | 1 | 4.8 | CCCCCCCCCCCCCC(=O)O | 12496284 | ||
2806 | 2654 | 100 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 228 | 12 | 1 | 1 | 4.8 | CCCCCCCCCCCCCC(=O)O | 12565875 | ||
2806 | 2654 | 100 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 228 | 12 | 1 | 1 | 4.8 | CCCCCCCCCCCCCC(=O)O | 12629551 | ||
CHEMBL111077 | 2654 | 100 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 228 | 12 | 1 | 1 | 4.8 | CCCCCCCCCCCCCC(=O)O | 12496284 | ||
CHEMBL111077 | 2654 | 100 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 228 | 12 | 1 | 1 | 4.8 | CCCCCCCCCCCCCC(=O)O | 12565875 | ||
CHEMBL111077 | 2654 | 100 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 228 | 12 | 1 | 1 | 4.8 | CCCCCCCCCCCCCC(=O)O | 12629551 | ||
DB08231 | 2654 | 100 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 228 | 12 | 1 | 1 | 4.8 | CCCCCCCCCCCCCC(=O)O | 12496284 | ||
DB08231 | 2654 | 100 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 228 | 12 | 1 | 1 | 4.8 | CCCCCCCCCCCCCC(=O)O | 12565875 | ||
DB08231 | 2654 | 100 | None | -2 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Functional | Guide to Pharmacology | 228 | 12 | 1 | 1 | 4.8 | CCCCCCCCCCCCCC(=O)O | 12629551 | ||
1052 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 2290 | 81 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 360 | 70 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 1427 | 56 | 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 | 1134 | 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 | 1134 | 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 | 1134 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 3822 | 48 | 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 | 3822 | 48 | 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 | 3822 | 48 | 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 | 1922 | 11 | 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 | 1922 | 11 | 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 | 1922 | 11 | 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 | 3825 | 5 | 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 | 3825 | 5 | 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 | 3825 | 5 | 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 | 3823 | 49 | 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 | 3823 | 49 | 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 | 3823 | 49 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 3319 | 111 | None | - | 1 | 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 | 3319 | 111 | None | - | 1 | 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 | 3319 | 111 | None | - | 1 | 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 | 3319 | 111 | None | - | 1 | 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 | 3319 | 111 | None | - | 1 | 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 | 2447 | 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 | 2447 | 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 | 2447 | 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 | 1863 | 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 | 1863 | 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 | 1863 | 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 | 1863 | 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 | 1863 | 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 | 1863 | 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 | 182404 | 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 | 182404 | 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 | 181528 | 23 | 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 | 181528 | 23 | 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 | 182016 | 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 | 182016 | 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 | 182404 | 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 | 182404 | 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 | 181789 | 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 | 181789 | 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 | 182016 | 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 | 182016 | 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 | 182793 | 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 | 182793 | 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 | 182724 | 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 | 182724 | 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 | 145959 | 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 | 145959 | 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 | 181925 | 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 | 181925 | 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 | 182873 | 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 | 182873 | 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 | 182793 | 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 | 182793 | 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 | 145086 | 4 | 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 | 145086 | 4 | 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 | 182295 | 4 | 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 | 182295 | 4 | 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 | 181789 | 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 | 181789 | 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 | 181528 | 23 | 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 | 181528 | 23 | 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 | 150060 | 18 | 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 | 150060 | 18 | 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 | 182873 | 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 | 182873 | 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 | 181925 | 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 | 181925 | 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 | 182724 | 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 | 182724 | 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 | 181925 | 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 | 181925 | 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 | 181966 | 9 | 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 | 181966 | 9 | 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 | 182809 | 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 | 182809 | 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 | 183003 | 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 | 183003 | 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 | ||
67087246 | 182295 | 4 | 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 | 182295 | 4 | 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 | 182809 | 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 | 182809 | 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 | 181504 | 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 | 181504 | 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 | 143675 | 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 | 143675 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 182793 | 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 | 182793 | 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 | 181966 | 9 | 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 | 181966 | 9 | 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 | 182404 | 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 | 182404 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 142701 | 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 | 142701 | 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 | 151453 | 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 | 151453 | 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 | 142307 | 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 | 142307 | 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 | 181504 | 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 | 181504 | 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 | 182479 | 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 | 182479 | 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 | 181762 | 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 | 181762 | 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 | ||
11961321 | 111307 | 3 | 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 | 111307 | 3 | 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 | 138251 | 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 | 138251 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 176542 | 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 | 176542 | 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 | 110756 | 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 | 110756 | 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 | 89878 | 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 | 89878 | 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 | 138287 | 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 | 138287 | 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 | 110761 | 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 | 110761 | 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 | 146591 | 7 | 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 | 146591 | 7 | 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 | 181762 | 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 | 181762 | 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 | 182232 | 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 | 182232 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 182295 | 4 | 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 | 182295 | 4 | 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 | 61483 | 20 | 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 | 61483 | 20 | 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 | 182537 | 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 | 182537 | 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 | ||
155530111 | 170927 | 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 | 170927 | 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 | 136992 | 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 | 136992 | 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 | 138209 | 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 | 138209 | 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 | 110758 | 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 | 110758 | 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 | 3319 | 111 | 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 | 3319 | 111 | 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 | 3319 | 111 | 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 | 3319 | 111 | 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 | 3319 | 111 | 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 | 147088 | 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 | 147088 | 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 | 111309 | 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 | 111309 | 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 | 150394 | 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 | 150394 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 110726 | 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 | 110726 | 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 | 181872 | 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 | 181872 | 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 | 182304 | 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 | 182304 | 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 | 136738 | 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 | 136738 | 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 | ||
CHEMBL5092999 | 213625 | 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 | 177478 | 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 | 177478 | 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 | 110764 | 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 | 110764 | 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 | ||
46854655 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 137027 | 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 | 137027 | 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 | ||
90176463 | 113762 | 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 | 113762 | 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 | ||
155523655 | 170336 | 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 | 170336 | 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 | 175537 | 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 | 175537 | 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 | 89882 | 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 | 89882 | 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 | 146591 | 7 | 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 | 146591 | 7 | 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 | ||
60195125 | 3825 | 5 | 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 | 3825 | 5 | 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 | 3825 | 5 | 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 | ||
134134768 | 143795 | 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 | 143795 | 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 | ||
162644059 | 181242 | 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 | 181242 | 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 | 110760 | 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 | 110760 | 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 | ||
71816761 | 89879 | 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 | 89879 | 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 | 110757 | 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 | 110757 | 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 | 174734 | 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 | 174734 | 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 | 156652 | 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 | 156652 | 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 | 110762 | 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 | 110762 | 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 | 89884 | 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 | 89884 | 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 | ||
156017497 | 177282 | 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 | 177282 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 138333 | 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 | 138333 | 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 | 173093 | 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 | 173093 | 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 | 176893 | 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 | 176893 | 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 | 181975 | 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 | 181975 | 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 | 142565 | 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 | 142565 | 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 | 147365 | 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 | 147365 | 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 | ||
58230552 | 181637 | 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 | 181637 | 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 | 80385 | 25 | 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 | 80385 | 25 | 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 | ||
57706778 | 80385 | 25 | 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 | 80385 | 25 | 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 | 110766 | 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 | 110766 | 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 | 158557 | 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 | 158557 | 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 | 181624 | 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 | 181624 | 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 | 182232 | 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 | 182232 | 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 | ||
68194159 | 182479 | 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 | 182479 | 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 | 181762 | 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 | 181762 | 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 | ||
6483 | 3823 | 49 | 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 | 3823 | 49 | 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 | 3823 | 49 | 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 | 89881 | 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 | 89881 | 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 | ||
155525700 | 170473 | 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 | 170473 | 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 | 61483 | 20 | 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 | 61483 | 20 | 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 | 113761 | 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 | 113761 | 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 | 136790 | 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 | 136790 | 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 | 136851 | 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 | 136851 | 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 | ||
162649435 | 179460 | 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 | 179460 | 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 | 181878 | 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 | 181878 | 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 | 145086 | 4 | 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 | 145086 | 4 | 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 | 146102 | 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 | 146102 | 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 | 182305 | 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 | 182305 | 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 | 182904 | 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 | 182904 | 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 | 183003 | 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 | 183003 | 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 | 141875 | 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 | 141875 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 182016 | 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 | 182016 | 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 | ||
90176463 | 113762 | 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 | 113762 | 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 | 152448 | 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 | 152448 | 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 | 152448 | 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 | ||
162656082 | 180120 | 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 | 180120 | 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 | ||
127037633 | 137041 | 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 | 137041 | 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 | 89875 | 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 | 89875 | 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 | 89883 | 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 | 89883 | 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 | 155253 | 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 | 155253 | 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 | 3823 | 49 | 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 | 3823 | 49 | 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 | 3823 | 49 | 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 | ||
15603739 | 137046 | 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 | 137046 | 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 | ||
57705939 | 110759 | 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 | 110759 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 182613 | 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 | 182613 | 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 | ||
127035636 | 136751 | 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 | 136751 | 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 | 136894 | 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 | 136894 | 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 | 177169 | 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 | 177169 | 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 | 145086 | 4 | 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 | 145086 | 4 | 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 | 110767 | 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 | 110767 | 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 | 86102 | 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 | 86102 | 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 | ||
127036959 | 136894 | 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 | 136894 | 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 | ||
155561358 | 175081 | 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 | 175081 | 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 | 110765 | 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 | 110765 | 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 | 181878 | 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 | 181878 | 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 | 69684 | 8 | 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 | 69684 | 8 | 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 | 110768 | 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 | 110768 | 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 | ||
155569735 | 176102 | 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 | 176102 | 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 | 176102 | 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 | 163651 | 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 | 163651 | 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 | 182904 | 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 | 182904 | 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 | 3823 | 49 | 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 | 3823 | 49 | 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 | 3823 | 49 | 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 | ||
24857286 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 110763 | 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 | 110763 | 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 | 180354 | 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 | 180354 | 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 | 111307 | 3 | 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 | 111307 | 3 | 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 | ||
134139990 | 145795 | 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 | 145795 | 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 | 113761 | 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 | 113761 | 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 | ||
127035669 | 136793 | 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 | 136793 | 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 | 150060 | 18 | 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 | 150060 | 18 | 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 | 181504 | 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 | 181504 | 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 | 212619 | 2 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 181425 | 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 | 181425 | 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 | 181789 | 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 | 181789 | 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 | 182873 | 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 | 182873 | 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 | 170511 | 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 | 170511 | 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 | 181624 | 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 | 181624 | 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 | 182232 | 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 | 182232 | 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 | 182724 | 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 | 182724 | 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 | 157225 | 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 | 157225 | 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 | ||
90655859 | 110727 | 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 | 110727 | 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 | 136783 | 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 | 136783 | 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 | 158920 | 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 | 158920 | 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 | 179083 | 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 | 179083 | 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 | 179741 | 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 | 179741 | 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 | ||
156013152 | 176904 | 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 | 176904 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | ||
58230552 | 181637 | 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 | 181637 | 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 | 157204 | 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 | 157204 | 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 | ||
6483 | 3823 | 49 | 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 | 3823 | 49 | 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 | 3823 | 49 | 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 | ||
9823501 | 99744 | 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 | 99744 | 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 | 99744 | 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 | 111307 | 3 | 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 | 111307 | 3 | 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 | 111308 | 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 | 111308 | 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 | 111307 | 3 | 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 | 111307 | 3 | 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 | 157281 | 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 | 157281 | 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 | 136765 | 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 | 136765 | 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 | 136966 | 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 | 136966 | 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 | ||
57522038 | 3824 | 54 | 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 | 3824 | 54 | 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 | 3824 | 54 | 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 | 181637 | 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 | 181637 | 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 | ||
67361692 | 89867 | 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 | 89867 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 111306 | 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 | 111306 | 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 | 111312 | 19 | 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 | 111312 | 19 | 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 | 181975 | 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 | 181975 | 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 | 136912 | 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 | 136912 | 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 | ||
90158812 | 113760 | 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 | 113760 | 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 | 110755 | 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 | 110755 | 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 | 163614 | 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 | 163614 | 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 | ||
90655858 | 110754 | 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 | 110754 | 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 | 169062 | 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 | 169062 | 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 | 89880 | 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 | 89880 | 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 | 142439 | 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 | 142439 | 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 | 181242 | 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 | 181242 | 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 | 177574 | 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 | 177574 | 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 | 86102 | 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 | 86102 | 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 | 146155 | 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 | 146155 | 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 | 182305 | 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 | 182305 | 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 | 146246 | 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 | 146246 | 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 | 182904 | 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 | 182904 | 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 | 181878 | 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 | 181878 | 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 | 149584 | 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 | 149584 | 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 | 136845 | 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 | 136845 | 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 | ||
15602772 | 111311 | 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 | 111311 | 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 | 136944 | 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 | 136944 | 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 | ||
156010854 | 176545 | 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 | 176545 | 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 | ||
162666840 | 181872 | 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 | 181872 | 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 | 136912 | 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 | 136912 | 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 | 136762 | 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 | 136762 | 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 | 136874 | 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 | 136874 | 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 | ||
127036747 | 137044 | 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 | 137044 | 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 | ||
118129979 | 155253 | 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 | 155253 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | ||
156016183 | 177094 | 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 | 177094 | 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 | ||
156013404 | 176885 | 2 | 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 | 176885 | 2 | 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 | ||
127035668 | 136815 | 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 | 136815 | 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 | ||
837245 | 10499 | 41 | 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 | 10499 | 41 | 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 | ||
156019672 | 177416 | 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 | 177416 | 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 | 181528 | 23 | 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 | 181528 | 23 | 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 | 181425 | 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 | 181425 | 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 | 181975 | 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 | 181975 | 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 | ||
44223813 | 89887 | 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 | 89887 | 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 | ||
156013456 | 176901 | 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 | 176901 | 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 | 177397 | 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 | 177397 | 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 | ||
67359903 | 89885 | 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 | 89885 | 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 | 182479 | 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 | 182479 | 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 | 176720 | 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 | 176720 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1134 | 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 | 1134 | 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 | 1134 | 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 | 182537 | 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 | 182537 | 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 | 182304 | 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 | 182304 | 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 | ||
561372 | 58519 | 59 | 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 | 58519 | 59 | 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 | 176678 | 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 | 176678 | 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 | 176780 | 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 | 176780 | 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 | 181425 | 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 | 181425 | 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 | 113760 | 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 | 113760 | 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 | 136762 | 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 | 136762 | 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 | 156781 | 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 | 156781 | 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 | 182611 | 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 | 182611 | 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 | 111314 | 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 | 111314 | 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 | 181624 | 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 | 181624 | 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 | 136793 | 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 | 136793 | 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 | ||
156013517 | 176936 | 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 | 176936 | 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 | 137041 | 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 | 137041 | 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 | 175684 | 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 | 175684 | 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 | 175684 | 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 | ||
73891117 | 113764 | 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 | 113764 | 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 | 182304 | 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 | 182304 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | ||
162644059 | 181242 | 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 | 181242 | 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 | ||
15603739 | 137046 | 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 | 137046 | 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 | 86102 | 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 | 86102 | 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 | ||
127036748 | 136992 | 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 | 136992 | 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 | 177365 | 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 | 177365 | 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 | 177033 | 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 | 177033 | 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 | 182305 | 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 | 182305 | 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 | 155754 | 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 | 155754 | 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 | 176533 | 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 | 176533 | 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 | ||
156019930 | 177388 | 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 | 177388 | 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 | 111307 | 3 | 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 | 111307 | 3 | 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 | 113764 | 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 | 113764 | 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 | 176878 | 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 | 176878 | 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 | 111310 | 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 | 111310 | 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 | ||
127035668 | 136815 | 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 | 136815 | 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 | 157225 | 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 | 157225 | 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 | 3822 | 48 | 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 | 3822 | 48 | 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 | 3822 | 48 | 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 | 177265 | 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 | 177265 | 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 | 177506 | 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 | 177506 | 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 | 182883 | 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 | 182883 | 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 | 110724 | 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 | 110724 | 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 | 175022 | 7 | 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 | 175022 | 7 | 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 | 158920 | 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 | 158920 | 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 | 181872 | 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 | 181872 | 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 | 156781 | 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 | 156781 | 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 | 111313 | 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 | 111313 | 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 | 136783 | 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 | 136783 | 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 | ||
67072752 | 86102 | 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 | 86102 | 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 | 136731 | 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 | 136731 | 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 | 145453 | 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 | 145453 | 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 | 150060 | 18 | 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 | 150060 | 18 | 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 | 182613 | 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 | 182613 | 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 | ||
134142245 | 144967 | 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 | 144967 | 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 | 144935 | 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 | 144935 | 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 | 181966 | 9 | 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 | 181966 | 9 | 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 | ||
156016727 | 177144 | 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 | 177144 | 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 | ||
156016929 | 177151 | 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 | 177151 | 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 | ||
15603946 | 111167 | 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 | 111167 | 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 | 182537 | 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 | 182537 | 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 | ||
23136411 | 58524 | 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 | 58524 | 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 | 137030 | 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 | 137030 | 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 | 110725 | 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 | 110725 | 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 | 89541 | 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 | 89541 | 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 | 192081 | 21 | 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 | 192081 | 21 | 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 | ||
156011880 | 176756 | 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 | 176756 | 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 | 138312 | 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 | 138312 | 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 | 89886 | 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 | 89886 | 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 | 177198 | 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 | 177198 | 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 | 2255 | 92 | 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 | 2255 | 92 | 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 | 2255 | 92 | 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 | 2255 | 92 | 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 | 2255 | 92 | 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 | 176550 | 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 | 176550 | 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 | 183003 | 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 | 183003 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 144800 | 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 | 144800 | 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 | 152448 | 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 | 152448 | 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 | 152448 | 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 | 145086 | 4 | 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 | 145086 | 4 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 89874 | 6 | 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 | 89874 | 6 | 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 | ||
58380284 | 89872 | 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 | 89872 | 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 | 177564 | 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 | 177564 | 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 | 182613 | 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 | 182613 | 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 | 110722 | 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 | 110722 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 136874 | 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 | 136874 | 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 | 182809 | 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 | 182809 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 89876 | 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 | 89876 | 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 | 110723 | 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 | 110723 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 138218 | 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 | 138218 | 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 | 156652 | 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 | 156652 | 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 | 136864 | 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 | 136864 | 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 | ||
156009978 | 176524 | 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 | 176524 | 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 | 89877 | 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 | 89877 | 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 | 158557 | 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 | 158557 | 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 | ||
127036960 | 136864 | 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 | 136864 | 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 | 61838 | 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 | 61838 | 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 | 61824 | 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 | 61824 | 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 | 61827 | 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 | 61827 | 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 | 61841 | 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 | 61841 | 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 | 61839 | 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 | 61839 | 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 | 136089 | 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 | 136089 | 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 | 61828 | 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 | 61828 | 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 | 61825 | 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 | 61825 | 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 | 61835 | 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 | 61835 | 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 | 61840 | 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 | 61840 | 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 | 61831 | 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 | 61831 | 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 | 61829 | 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 | 61829 | 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 | 136311 | 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 | 136311 | 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 | 61836 | 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 | 61836 | 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 | 61832 | 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 | 61832 | 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 | 61837 | 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 | 61837 | 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 | 61826 | 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 | 61826 | 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 | 61823 | 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 | 61823 | 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 | 61833 | 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 | 61833 | 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 | 61830 | 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 | 61830 | 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 | 61834 | 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 | 61834 | 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 | 61818 | 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 | 61818 | 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 | 136157 | 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 | 136157 | 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 | 137141 | 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 | 137141 | 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 | 171991 | 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 | 171991 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 181528 | 23 | 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 | 181528 | 23 | 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 | 182295 | 4 | 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 | 182295 | 4 | 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 | 145086 | 4 | 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 | 145086 | 4 | 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 | 181966 | 9 | 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 | 181966 | 9 | 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 | 181242 | 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 | 181242 | 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 | 140196 | 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 | 140196 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 80385 | 25 | 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 | 80385 | 25 | 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 | 181637 | 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 | 181637 | 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 | 140196 | 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 | 140196 | 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 | 181425 | 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 | 181425 | 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 | 181925 | 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 | 181925 | 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 | 182404 | 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 | 182404 | 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 | 182793 | 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 | 182793 | 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 | 182873 | 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 | 182873 | 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 | 156483 | 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 | 156483 | 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 | 75473 | 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 | 75473 | 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 | 73754 | 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 | 73754 | 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 | 182479 | 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 | 182479 | 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 | 75467 | 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 | 75467 | 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 | 156781 | 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 | 156781 | 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 | 75273 | 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 | 75273 | 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 | 181425 | 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 | 181425 | 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 | 74123 | 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 | 74123 | 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 | 74123 | 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 | 75262 | 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 | 75262 | 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 | 75278 | 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 | 75278 | 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 | 73702 | 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 | 73702 | 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 | 73702 | 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 | 73702 | 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 | 75271 | 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 | 75271 | 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 | 75279 | 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 | 75279 | 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 | 75474 | 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 | 75474 | 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 | 76866 | 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 | 76866 | 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 | 76866 | 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 | 75275 | 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 | 75275 | 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 | 75468 | 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 | 75468 | 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 | 182232 | 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 | 182232 | 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 | 73704 | 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 | 73704 | 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 | 156983 | 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 | 156983 | 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 | 181975 | 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 | 181975 | 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 | 73710 | 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 | 73710 | 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 | 73713 | 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 | 73713 | 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 | 182613 | 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 | 182613 | 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 | 155904 | 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 | 155904 | 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 | 158501 | 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 | 158501 | 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 | 58519 | 59 | 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 | 58519 | 59 | 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 | 181878 | 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 | 181878 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 146591 | 7 | 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 | 146591 | 7 | 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 | 75272 | 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 | 75272 | 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 | 75472 | 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 | 75472 | 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 | 75477 | 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 | 75477 | 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 | 75471 | 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 | 75471 | 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 | 75478 | 2 | None | -2 | 2 | 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 | 75478 | 2 | None | -2 | 2 | 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 | 182904 | 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 | 182904 | 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 | 75478 | 2 | None | -2 | 2 | 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 | 75478 | 2 | None | -2 | 2 | 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 | 73710 | 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 | 73710 | 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 | 73712 | 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 | 73712 | 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 | 82245 | 18 | 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 | 82245 | 18 | 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 | 73702 | 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 | 73702 | 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 | 73711 | 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 | 73711 | 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 | 75265 | 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 | 75265 | 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 | 75267 | 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 | 75267 | 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 | 75268 | 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 | 75268 | 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 | 75270 | 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 | 75270 | 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 | 73702 | 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 | 73702 | 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 | 73754 | 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 | 73754 | 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 | 75277 | 0 | 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 | 75277 | 0 | 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 | 75481 | 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 | 75481 | 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 | 76867 | 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 | 76867 | 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 | 76867 | 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 | 157925 | 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 | 157925 | 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 | 157999 | 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 | 157999 | 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 | 75278 | 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 | 75278 | 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 | 75479 | 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 | 75479 | 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 | 75482 | 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 | 75482 | 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 | 75272 | 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 | 75272 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 181504 | 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 | 181504 | 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 | 182016 | 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 | 182016 | 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 | 75475 | 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 | 75475 | 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 | 75480 | 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 | 75480 | 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 | 182305 | 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 | 182305 | 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 | 73755 | 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 | 73755 | 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 | 75277 | 0 | 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 | 75277 | 0 | 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 | 182537 | 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 | 182537 | 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 | 86102 | 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 | 86102 | 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 | 75261 | 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 | 75261 | 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 | 75476 | 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 | 75476 | 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 | 73698 | 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 | 73698 | 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 | 75264 | 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 | 75264 | 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 | 73698 | 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 | 73698 | 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 | 73759 | 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 | 73759 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 1871 | 86 | 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 | 75263 | 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 | 75263 | 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 | 75259 | 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 | 75259 | 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 | 75473 | 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 | 75473 | 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 | 212619 | 2 | 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 | 156604 | 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 | 156604 | 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 | 75267 | 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 | 75267 | 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 | 75259 | 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 | 75259 | 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 | 73700 | 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 | 73700 | 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 | 73700 | 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 | 73700 | 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 | 75262 | 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 | 75262 | 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 | 75470 | 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 | 75470 | 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 | 150060 | 18 | 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 | 150060 | 18 | 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 | 58554 | 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 | 58554 | 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 | 73703 | 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 | 73703 | 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 | 73757 | 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 | 73757 | 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 | 75263 | 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 | 75263 | 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 | 75276 | 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 | 75276 | 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 | 73703 | 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 | 73703 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 73758 | 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 | 73758 | 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 | 75260 | 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 | 75260 | 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 | 181762 | 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 | 181762 | 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 | 73708 | 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 | 73708 | 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 | 181789 | 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 | 181789 | 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 | 182724 | 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 | 182724 | 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 | 75466 | 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 | 75466 | 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 | 75266 | 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 | 75266 | 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 | 73755 | 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 | 73755 | 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 | 75270 | 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 | 75270 | 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 | 75276 | 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 | 75276 | 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 | 156334 | 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 | 156334 | 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 | 158376 | 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 | 158376 | 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 | 182304 | 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 | 182304 | 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 | 157225 | 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 | 157225 | 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 | 58541 | 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 | 58541 | 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 | 73755 | 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 | 73755 | 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 | 73755 | 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 | 73755 | 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 | 58541 | 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 | 58541 | 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 | 58541 | 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 | 58541 | 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 | 75275 | 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 | 75275 | 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 | 157774 | 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 | 157774 | 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 | 155253 | 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 | 155253 | 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 | 73713 | 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 | 73713 | 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 | 75265 | 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 | 75265 | 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 | 58541 | 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 | 58541 | 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 | 155399 | 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 | 155399 | 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 | 75271 | 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 | 75271 | 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 | 158920 | 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 | 158920 | 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 | 75268 | 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 | 75268 | 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 | 82245 | 18 | 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 | 82245 | 18 | 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 | 73699 | 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 | 73699 | 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 | 73699 | 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 | 73699 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 156090 | 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 | 156090 | 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 | 73760 | 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 | 73760 | 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 | 182809 | 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 | 182809 | 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 | 183003 | 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 | 183003 | 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 | 75477 | 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 | 75477 | 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 | 3825 | 5 | 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 | 3825 | 5 | 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 | 3825 | 5 | 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 | 75474 | 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 | 75474 | 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 | 75480 | 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 | 75480 | 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 | 75482 | 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 | 75482 | 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 | 182295 | 4 | 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 | 182295 | 4 | 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 | 145086 | 4 | 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 | 145086 | 4 | 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 | 145086 | 4 | 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 | 145086 | 4 | 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 | 181528 | 23 | 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 | 181528 | 23 | 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 | 75274 | 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 | 75274 | 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 | 75274 | 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 | 75274 | 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 | 73707 | 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 | 73707 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 391 | 43 | 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 | 181872 | 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 | 181872 | 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 | 74123 | 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 | 74123 | 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 | 74123 | 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 | 156894 | 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 | 156894 | 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 | 157204 | 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 | 157204 | 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 | 58554 | 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 | 58554 | 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 | 75469 | 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 | 75469 | 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 | 73707 | 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 | 73707 | 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 | 155345 | 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 | 155345 | 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 | 75481 | 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 | 75481 | 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 | 75471 | 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 | 75471 | 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 | 61483 | 20 | 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 | 61483 | 20 | 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 | 75266 | 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 | 75266 | 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 | 73698 | 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 | 73698 | 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 | 75467 | 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 | 75467 | 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 | 73698 | 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 | 73698 | 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 | 58541 | 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 | 58541 | 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 | 58541 | 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 | 58541 | 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 | 75273 | 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 | 75273 | 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 | 73712 | 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 | 73712 | 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 | 73709 | 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 | 73709 | 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 | 75466 | 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 | 75466 | 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 | 73699 | 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 | 73699 | 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 | 75279 | 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 | 75279 | 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 | 73699 | 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 | 73699 | 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 | 181624 | 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 | 181624 | 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 | 75470 | 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 | 75470 | 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 | 76867 | 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 | 76867 | 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 | 76867 | 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 | 75478 | 2 | None | 2 | 2 | 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 | 75478 | 2 | None | 2 | 2 | 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 | 75472 | 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 | 75472 | 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 | 75475 | 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 | 75475 | 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 | 76866 | 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 | 76866 | 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 | 76866 | 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 | 73711 | 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 | 73711 | 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 | 157872 | 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 | 157872 | 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 | 158557 | 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 | 158557 | 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 | 156652 | 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 | 156652 | 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 | 3822 | 48 | 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 | 3822 | 48 | 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 | 3822 | 48 | 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 | 156225 | 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 | 156225 | 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 | 76863 | 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 | 76863 | 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 | 76863 | 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 | 73760 | 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 | 73760 | 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 | 181637 | 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 | 181637 | 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 | 1134 | 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 | 1134 | 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 | 1134 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 1594 | 66 | 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 | 156143 | 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 | 156143 | 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 | 75260 | 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 | 75260 | 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 | 181242 | 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 | 181242 | 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 | 158953 | 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 | 158953 | 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 | 75479 | 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 | 75479 | 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 | 181966 | 9 | 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 | 181966 | 9 | 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 | 76863 | 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 | 76863 | 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 | 76863 | 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 | 75264 | 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 | 75264 | 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 | 75261 | 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 | 75261 | 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 | 3823 | 49 | 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 | 3823 | 49 | 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 | 3823 | 49 | 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 | 75469 | 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 | 75469 | 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 | 159108 | 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 | 159108 | 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 | 75476 | 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 | 75476 | 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 | 155624 | 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 | 155624 | 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 | 75468 | 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 | 75468 | 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 | 1094 | 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 | 1094 | 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 |