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P47900 | P2RY1_HUMAN | P2Y purinoceptor 1 (P2RY1)

3D structures mapped by conservation among orthologs

[ Domain: "Rubredoxin-related" // Rubredoxin ]

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[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_1 ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL3287050 OBDepict O N H N H N N S Cl OH Cl N H 3 C CH 3 H 3 C IC50 = 0.03 nM 560.55 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1csc(Cl)n1)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3292933 assay format
CHEMBL3287043 OBDepict N N HO N NH NH O CH 3 H 3 C CH 3 O F F F IC50 = 0.04 nM 593.65 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1c(O)ccc(C#N)c12 Homo sapiens CHEMBL3292933 assay format
CHEMBL3287049 OBDepict O N H N H N S N OH F Cl N H 3 C CH 3 H 3 C IC50 = 0.06 nM 594.16 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1nc3ccc(F)cc3s1)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3292933 assay format
CHEMBL3287051 OBDepict O NH N H N HO F F F Cl N CH 3 H 3 C CH 3 IC50 = 0.08 nM 587.09 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1ccc(C(F)(F)F)cc1)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3292933 assay format
CHEMBL3287047 OBDepict O NH N H N O HO F F F N CH 3 H 3 C CH 3 IC50 = 0.23 nM 568.64 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1c(O)cccc12 Homo sapiens CHEMBL3292933 assay format
CHEMBL3287045 OBDepict O NH N H N O HO F F F F N H 3 C H 3 C CH 3 IC50 = 0.37 nM 586.63 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1c(O)ccc(F)c12 Homo sapiens CHEMBL3292933 assay format
CHEMBL444278 OBDepict H 3 C N H N N I N N H H H O P O O OH OH P O HO HO Ki = 0.78 nM 561.17 CNc1nc(I)nc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@]2(COP(=O)(O)O)C[C@H]12 Homo sapiens CHEMBL750161 cell-based format
CHEMBL3939310 OBDepict O N H NH S N N N CH 3 H 3 C OH F N H 3 C CH 3 H 3 C Ki = 1.9 nM 552.72 CC(C)c1nsc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c(F)ccc(O)c32)n1 Homo sapiens CHEMBL3888986 single protein format
CHEMBL2112864 OBDepict H 3 C N H N N Cl N N H H H O P O O OH OH P O HO HO Ki = 2.5 nM 469.72 CNc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@]2(COP(=O)(O)O)C[C@H]12 Homo sapiens CHEMBL750161 cell-based format
CHEMBL3944036 OBDepict O N H NH F N F HO N F F F H 3 C H 3 C CH 3 Ki = 3.2 nM 588.62 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1ccc(F)cc1F)c1c(O)ccc(C(F)(F)F)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3963797 OBDepict O N H NH S N N N CH 3 OH Cl N H 3 C H 3 C CH 3 Ki = 3.3 nM 541.12 Cc1nsc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c(Cl)ccc(O)c32)n1 Homo sapiens CHEMBL3888986 single protein format
CHEMBL2112867 OBDepict H 3 C N H N N H 3 C N N H H H O P O O OH OH P O HO HO Ki = 3.6 nM 449.3 CNc1nc(C)nc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@]2(COP(=O)(O)O)C[C@H]12 Homo sapiens CHEMBL750161 cell-based format
CHEMBL3944669 OBDepict O N H N H N S N OH Cl F N H 3 C CH 3 H 3 C Ki = 3.7 nM 594.16 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1nc3ccc(Cl)cc3s1)c1c(O)ccc(F)c12 Homo sapiens CHEMBL3888986 single protein format
CHEMBL3968847 OBDepict O N H N H N S N HO H 3 C F N CH 3 CH 3 H 3 C Ki = 3.7 nM 573.74 Cc1ccc2nc(NC(=O)Nc3ccccc3N3CC4(CCN(CC(C)(C)C)CC4)c4c(F)ccc(O)c43)sc2c1 Homo sapiens CHEMBL3888986 single protein format
CHEMBL3980633 OBDepict N N OH N N H N H O CH 3 CH 3 H 3 C N S Cl Ki = 3.7 nM 551.12 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1csc(Cl)n1)c1c(O)ccc(C#N)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3287049 OBDepict O N H N H N S N OH F Cl N H 3 C CH 3 H 3 C Ki = 3.8 nM 594.16 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1nc3ccc(F)cc3s1)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3892050 OBDepict H 3 C O N S N N H N H O N HO F N CH 3 H 3 C CH 3 Ki = 3.8 nM 590.73 COc1ccc2nc(NC(=O)Nc3ccccc3N3CC4(CCN(CC(C)(C)C)CC4)c4c(F)ccc(O)c43)sc2n1 Homo sapiens CHEMBL3888987 assay format
CHEMBL3287047 OBDepict O NH N H N O HO F F F N CH 3 H 3 C CH 3 Ki = 4.0 nM 568.64 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1c(O)cccc12 Homo sapiens CHEMBL3292349 assay format
CHEMBL3924844 OBDepict O NH N H N HO H 3 C H 3 C CH 3 F N CH 3 H 3 C CH 3 Ki = 4.0 nM 558.74 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1ccc(C(C)(C)C)cc1)c1c(O)ccc(F)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3104636 OBDepict O NH N H N O F F F N H 3 C H 3 C CH 3 Ki = 4.3 nM 552.64 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc12 Homo sapiens CHEMBL3107684 cell-based format
CHEMBL3287045 OBDepict O NH N H N O HO F F F F N H 3 C H 3 C CH 3 Ki = 4.4 nM 586.63 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1c(O)ccc(F)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3969194 OBDepict O N H NH S N N N CH 3 H 3 C OH Cl N H 3 C CH 3 H 3 C Ki = 4.4 nM 569.18 CC(C)c1nsc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c(Cl)ccc(O)c32)n1 Homo sapiens CHEMBL3888986 single protein format
CHEMBL3105199 OBDepict O NH N H N O F F F N CH 3 H 3 C CH 3 Ki = 4.6 nM 566.67 CC(C)(C)CN1CCC2(CC1)CCN(c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc12 Homo sapiens CHEMBL3107684 cell-based format
CHEMBL3287046 OBDepict O NH N H N O OH F F F N CH 3 H 3 C CH 3 IC50 = 4.6 nM 568.64 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cc(O)ccc12 Homo sapiens CHEMBL3292933 assay format
CHEMBL3972717 OBDepict O N H N H N N S F F F OH Cl N H 3 C CH 3 H 3 C Ki = 4.9 nM 594.1 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1csc(C(F)(F)F)n1)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3954912 OBDepict O N H NH N N S CH 3 OH N F F F H 3 C H 3 C CH 3 Ki = 4.9 nM 573.69 Cc1nc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c(C(F)(F)F)ccc(O)c32)cs1 Homo sapiens CHEMBL3888987 assay format
CHEMBL2401804 OBDepict CH 3 O O S N HN F F F N O H 3 C H 3 C CH 3 Ki = 5.0 nM 465.5 CCOC(=O)c1sc(Nc2cccnc2Oc2ccccc2C(C)(C)C)nc1C(F)(F)F Homo sapiens CHEMBL2406600 cell-based format
CHEMBL3964440 OBDepict N N HO N N H N H O H 3 C H 3 C CH 3 N S F Ki = 5.0 nM 584.72 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1nc3ccc(F)cc3s1)c1c(O)ccc(C#N)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL146342 OBDepict CH 3 N H N N Br N N H O P O O OH HO P O HO OH Ki = 5.1 nM 514.17 CNc1nc(Br)nc2c1ncn2C1CC(OP(=O)(O)O)[C@]2(COP(=O)(O)O)C[C@H]12 Homo sapiens CHEMBL750161 cell-based format
CHEMBL3951466 OBDepict O NH N H N F F HO N F F F H 3 C H 3 C CH 3 Ki = 5.1 nM 588.62 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1ccc(F)c(F)c1)c1c(O)ccc(C(F)(F)F)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3890927 OBDepict O N H N H N S N N OH Cl N H 3 C CH 3 H 3 C Ki = 5.3 nM 577.15 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1nc3ccc(Cl)nc3s1)c1c(O)cccc12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3892612 OBDepict O N H N H N S N HO H 3 C Cl N CH 3 CH 3 H 3 C Ki = 5.6 nM 590.19 Cc1ccc2nc(NC(=O)Nc3ccccc3N3CC4(CCN(CC(C)(C)C)CC4)c4c(Cl)ccc(O)c43)sc2c1 Homo sapiens CHEMBL3888987 assay format
CHEMBL3287043 OBDepict N N HO N NH NH O CH 3 H 3 C CH 3 O F F F Ki = 5.7 nM 593.65 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1c(O)ccc(C#N)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3287050 OBDepict O N H N H N N S Cl OH Cl N H 3 C CH 3 H 3 C Ki = 5.8 nM 560.55 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1csc(Cl)n1)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3105201 OBDepict O HN N H N O N F F F H 3 C H 3 C CH 3 Ki = 5.8 nM 538.61 CC(C)(C)CN1CCC2(C1)CN(c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc12 Homo sapiens CHEMBL3107684 cell-based format
CHEMBL3104624 OBDepict O HN HN N O F F F Ki = 5.9 nM 481.52 O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1N1CC2(CCCCC2)c2ccccc21 Homo sapiens CHEMBL3107684 cell-based format
CHEMBL2333770 OBDepict O N H NH N O O CH 3 H 3 C CH 3 F F F Ki = 6.0 nM 445.44 CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Homo sapiens CHEMBL2339550 cell-based format
CHEMBL2401853 OBDepict CH 3 N N O S N HN F F F N O H 3 C H 3 C CH 3 Ki = 6.0 nM 475.5 Cc1noc(-c2sc(Nc3cccnc3Oc3ccccc3C(C)(C)C)nc2C(F)(F)F)n1 Homo sapiens CHEMBL2406600 cell-based format
CHEMBL3263058 OBDepict HO N Cl N H N S N N CH 3 H 3 C CH 3 Ki = 6.0 nM 560.17 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nc(-c3ccccc3)ns1)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3267606 cell-based format
CHEMBL3903953 OBDepict Cl N S N N H N HO F N H 3 C H 3 C CH 3 IC50 = 6.0 nM 578.16 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nnc(-c3ccc(Cl)cc3)s1)c1c(O)ccc(F)c12 Homo sapiens CHEMBL3887218 assay format
CHEMBL3263058 OBDepict HO N Cl N H N S N N CH 3 H 3 C CH 3 IC50 = 6.0 nM 560.17 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nc(-c3ccccc3)ns1)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3887218 assay format
CHEMBL3932008 OBDepict O N H N H N N S Cl OH N F F F CH 3 CH 3 CH 3 Ki = 6.2 nM 594.1 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1csc(Cl)n1)c1c(O)ccc(C(F)(F)F)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3263059 OBDepict HO N Cl N H N N O N CH 3 H 3 C CH 3 Ki = 6.2 nM 544.1 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nnc(-c3ccccc3)o1)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3267606 cell-based format
CHEMBL3915990 OBDepict O HN HN S N N HO Cl N CH 3 H 3 C CH 3 Ki = 6.2 nM 566.17 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1nc3c(s1)CCC3)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3904405 OBDepict H 3 C O O S N N H F F F N N CH 3 CH 3 H 3 C IC50 = 6.3 nM 572.7 CCOC(=O)c1sc(Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3ccccc32)nc1C(F)(F)F Homo sapiens CHEMBL3887217 cell-based format
CHEMBL3287051 OBDepict O NH N H N HO F F F Cl N CH 3 H 3 C CH 3 Ki = 6.4 nM 587.09 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1ccc(C(F)(F)F)cc1)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3909955 OBDepict O HN HN N F CH 3 OH Cl N H 3 C H 3 C CH 3 Ki = 6.4 nM 551.11 Cc1ccc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c(Cl)ccc(O)c32)cc1F Homo sapiens CHEMBL3888987 assay format
CHEMBL3987044 OBDepict O N H N H N S N OH N F F F CH 3 CH 3 CH 3 Ki = 6.4 nM 559.66 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1nccs1)c1c(O)ccc(C(F)(F)F)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3263075 OBDepict HO N Cl N H N N S N CH 3 H 3 C CH 3 N N IC50 = 6.5 nM 562.14 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nnc(-c3cnccn3)s1)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3887217 cell-based format
CHEMBL3263075 OBDepict HO N Cl N H N N S N CH 3 H 3 C CH 3 N N Ki = 6.5 nM 562.14 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nnc(-c3cnccn3)s1)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3267606 cell-based format
CHEMBL3947595 OBDepict O N H N H N S N N OH F Cl N H 3 C CH 3 H 3 C Ki = 6.5 nM 595.14 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1nc3ccc(F)nc3s1)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3939735 OBDepict CH 3 H 3 C N N Cl HO NH NH O F F F Ki = 6.5 nM 573.06 CC(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1ccc(C(F)(F)F)cc1)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3954066 OBDepict O N H N H N S N S OH Cl N CH 3 CH 3 CH 3 Ki = 6.5 nM 598.24 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1nc3c(s1)CSCC3)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3263076 OBDepict CH 3 N N H 3 C N S N N H N OH Cl N H 3 C H 3 C CH 3 IC50 = 6.6 nM 578.19 Cc1cc(-c2nnc(Nc3ccccc3N3CC4(CCN(CC(C)(C)C)CC4)c4c(Cl)ccc(O)c43)s2)n(C)n1 Homo sapiens CHEMBL3887217 cell-based format
CHEMBL3103636 OBDepict O HN HN N O F F F Ki = 6.6 nM 467.49 O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1N1CC2(CCCC2)c2ccccc21 Homo sapiens CHEMBL3107684 cell-based format
CHEMBL3263076 OBDepict CH 3 N N H 3 C N S N N H N OH Cl N H 3 C H 3 C CH 3 Ki = 6.6 nM 578.19 Cc1cc(-c2nnc(Nc3ccccc3N3CC4(CCN(CC(C)(C)C)CC4)c4c(Cl)ccc(O)c43)s2)n(C)n1 Homo sapiens CHEMBL3267606 cell-based format
CHEMBL3932713 OBDepict HO N Cl N H N N S N CH 3 H 3 C CH 3 N IC50 = 6.8 nM 561.16 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nnc(-c3ccccn3)s1)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3887218 assay format
CHEMBL3900888 OBDepict H 3 C O N N S N H N H O N HO Cl N CH 3 H 3 C CH 3 Ki = 6.8 nM 557.12 COc1nsc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c(Cl)ccc(O)c32)n1 Homo sapiens CHEMBL3888987 assay format
CHEMBL2401857 OBDepict F S N N H F F F N O H 3 C H 3 C CH 3 Ki = 7.0 nM 487.52 CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(C(F)(F)F)c(-c2ccccc2F)s1 Homo sapiens CHEMBL2406600 cell-based format
CHEMBL2333766 OBDepict O NH N H N O CH 3 CH 3 H 3 C CH 3 Ki = 7.0 nM 375.47 Cc1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1 Homo sapiens CHEMBL2339550 cell-based format
CHEMBL2381888 OBDepict CH 3 O O N H NH O N O CH 3 CH 3 CH 3 Ki = 7.0 nM 459.55 COC(=O)C1(c2ccc(NC(=O)Nc3cccnc3Oc3ccccc3C(C)(C)C)cc2)CC1 Homo sapiens CHEMBL2382617 single protein format
CHEMBL2401800 OBDepict F F F N S NH N O H 3 C H 3 C CH 3 Ki = 7.0 nM 469.53 CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(C(F)(F)F)c(-c2ccccc2)s1 Homo sapiens CHEMBL2406600 cell-based format
CHEMBL2333772 OBDepict O HN N H N O CH 3 H 3 C CH 3 CH 3 H 3 C Ki = 7.0 nM 403.53 CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(C(C)(C)C)cc1 Homo sapiens CHEMBL2339550 cell-based format
CHEMBL2381894 OBDepict O NH N H N O N CH 3 CH 3 CH 3 N Ki = 7.0 nM 535.69 CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 Homo sapiens CHEMBL2382617 single protein format
CHEMBL3961041 OBDepict O N H N H N S N N OH F F N H 3 C CH 3 H 3 C Ki = 7.0 nM 578.69 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1nc3ccc(F)nc3s1)c1c(O)ccc(F)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL2393201 OBDepict CH 3 CH 3 CH 3 O N N H N S N F F F Ki = 7.0 nM 470.52 CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1 Homo sapiens CHEMBL2394755 cell-based format
CHEMBL3930322 OBDepict O NH N H N HO F F F F N CH 3 H 3 C CH 3 Ki = 7.2 nM 570.63 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1ccc(C(F)(F)F)cc1)c1c(O)ccc(F)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3102866 OBDepict O NH N H N O CH 3 CH 3 F F F Ki = 7.3 nM 455.48 CC1(C)CCN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc21 Homo sapiens CHEMBL3107684 cell-based format
CHEMBL3896118 OBDepict O N H N H N S Cl OH N F F F CH 3 CH 3 CH 3 Ki = 7.3 nM 593.12 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1csc(Cl)c1)c1c(O)ccc(C(F)(F)F)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3897234 OBDepict H 3 C S N N S HN N H O N HO Cl N CH 3 H 3 C CH 3 Ki = 7.3 nM 587.22 CCSc1nsc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c(Cl)ccc(O)c32)n1 Homo sapiens CHEMBL3888987 assay format
CHEMBL3947952 OBDepict O N H N H N S N OH F F N H 3 C CH 3 H 3 C Ki = 7.4 nM 577.7 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1nc3ccc(F)cc3s1)c1c(O)ccc(F)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3937101 OBDepict O N H N H N S N OH Cl N CH 3 CH 3 CH 3 Ki = 7.5 nM 576.17 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1nc3ccccc3s1)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3898038 OBDepict O N H N H N S N OH Cl N H 3 C CH 3 H 3 C Ki = 7.5 nM 576.17 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1nc3ccc(Cl)cc3s1)c1c(O)cccc12 Homo sapiens CHEMBL3888986 single protein format
CHEMBL3103635 OBDepict O N H N H N O F F F Ki = 7.6 nM 453.46 O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1N1CC2(CCC2)c2ccccc21 Homo sapiens CHEMBL3107684 cell-based format
CHEMBL3961685 OBDepict CH 3 H 3 C N N Cl HO N H N H O N S Cl Ki = 7.8 nM 596.58 CC(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1nc3ccc(Cl)cc3s1)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3943381 OBDepict H 3 C H 3 C CH 3 N N N H N S F F F IC50 = 7.9 nM 576.73 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nc(C(F)(F)F)c(-c3ccccc3)s1)c1ccccc12 Homo sapiens CHEMBL3887217 cell-based format
CHEMBL3954433 OBDepict H 3 C O S N N H N H O N HO F N CH 3 H 3 C CH 3 Ki = 7.9 nM 589.74 COc1ccc2nc(NC(=O)Nc3ccccc3N3CC4(CCN(CC(C)(C)C)CC4)c4c(F)ccc(O)c43)sc2c1 Homo sapiens CHEMBL3888987 assay format
CHEMBL3943263 OBDepict CH 3 O O N HO N NH N H O H 3 C H 3 C CH 3 F F Ki = 7.9 nM 578.66 COC(=O)c1ccc(O)c2c1C1(CCN(CC(C)(C)C)CC1)CN2c1ccccc1NC(=O)Nc1ccc(F)cc1F Homo sapiens CHEMBL3888987 assay format
CHEMBL3967844 OBDepict OH N Cl N H N S N N H 3 C CH 3 H 3 C CH 3 H 3 C CH 3 IC50 = 8.0 nM 540.18 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nc(C(C)(C)C)ns1)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3887218 assay format
CHEMBL2401858 OBDepict CH 3 O S N HN F F F N O H 3 C H 3 C CH 3 Ki = 8.0 nM 499.56 COc1cccc(-c2sc(Nc3cccnc3Oc3ccccc3C(C)(C)C)nc2C(F)(F)F)c1 Homo sapiens CHEMBL2406600 cell-based format
CHEMBL2401859 OBDepict CH 3 O S N HN F F F N O H 3 C H 3 C CH 3 Ki = 8.0 nM 499.56 COc1ccc(-c2sc(Nc3cccnc3Oc3ccccc3C(C)(C)C)nc2C(F)(F)F)cc1 Homo sapiens CHEMBL2406600 cell-based format
CHEMBL2401856 OBDepict CH 3 S N HN F F F N O H 3 C H 3 C CH 3 Ki = 8.0 nM 483.56 Cc1ccc(-c2sc(Nc3cccnc3Oc3ccccc3C(C)(C)C)nc2C(F)(F)F)cc1 Homo sapiens CHEMBL2406600 cell-based format
CHEMBL2333771 OBDepict O HN N H N O CH 3 H 3 C CH 3 H 3 C H 3 C CH 3 Ki = 8.0 nM 417.55 CC(C)(C)c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1 Homo sapiens CHEMBL2339550 cell-based format
CHEMBL3958698 OBDepict O N H N H N S N O OH Cl N CH 3 CH 3 CH 3 Ki = 8.0 nM 582.17 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1nc3c(s1)COCC3)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3952542 OBDepict O NH N H N HO H 3 C H 3 C CH 3 N H 3 C H 3 C CH 3 Ki = 8.3 nM 540.75 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1ccc(C(C)(C)C)cc1)c1c(O)cccc12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3906462 OBDepict O N H N H N S N N OH Cl F N H 3 C CH 3 H 3 C Ki = 8.6 nM 595.14 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1nc3ccc(Cl)nc3s1)c1c(O)ccc(F)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3103625 OBDepict O HN N H N O H 3 C CH 3 F F F Ki = 8.7 nM 441.45 CC1(C)CN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc21 Homo sapiens CHEMBL3107684 cell-based format
CHEMBL3973199 OBDepict N S N N H CH 3 H 3 C CH 3 N OH Cl N CH 3 CH 3 CH 3 IC50 = 9.0 nM 564.2 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nc(C(C)(C)C)c(C#N)s1)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3887218 assay format
CHEMBL3928411 OBDepict O NH N H N HO H 3 C H 3 C CH 3 F N CH 3 H 3 C CH 3 Ki = 9.0 nM 558.74 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1ccc(C(C)(C)C)cc1)c1c2ccc(F)c1O Homo sapiens CHEMBL3888987 assay format
CHEMBL3975389 OBDepict O NH N H N O HO F F F N F H 3 C H 3 C CH 3 Ki = 9.1 nM 586.63 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1c(O)cc(F)cc12 Homo sapiens CHEMBL3888986 single protein format
CHEMBL3977624 OBDepict O N H N H N S N OH Cl N CH 3 CH 3 CH 3 Ki = 9.5 nM 580.2 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1nc3c(s1)CCCC3)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3263057 OBDepict HO N F F F N H N N S N CH 3 H 3 C CH 3 Ki = 9.6 nM 593.72 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nnc(-c3ccccc3)s1)c1c(O)ccc(C(F)(F)F)c12 Homo sapiens CHEMBL3267606 cell-based format
CHEMBL3922387 OBDepict O N H NH F N F HO Cl N CH 3 H 3 C CH 3 Ki = 9.6 nM 555.07 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1ccc(F)cc1F)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3946708 OBDepict O NH N H N HO H 3 C H 3 C CH 3 Cl N CH 3 H 3 C CH 3 Ki = 9.7 nM 575.2 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1ccc(C(C)(C)C)cc1)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3987193 OBDepict CH 3 H 3 C N N Cl HO N H N H O N S F Ki = 9.9 nM 580.13 CC(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1nc3ccc(F)cc3s1)c1c(O)ccc(Cl)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3263057 OBDepict HO N F F F N H N N S N CH 3 H 3 C CH 3 IC50 = 10.0 nM 593.72 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nnc(-c3ccccc3)s1)c1c(O)ccc(C(F)(F)F)c12 Homo sapiens CHEMBL3887218 assay format
CHEMBL255724 OBDepict H 3 C N N O CH 3 HN HN O Ki = 10.0 nM 494.64 CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(C2CCCCC2)cc1 Homo sapiens CHEMBL930506 single protein format
CHEMBL2393200 OBDepict F O F F N S N N H N O CH 3 H 3 C CH 3 Ki = 10.0 nM 486.52 CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(-c2ccc(OC(F)(F)F)cc2)s1 Homo sapiens CHEMBL2394755 cell-based format
CHEMBL3961227 OBDepict O NH N H N HO H 3 C H 3 C CH 3 F N F CH 3 H 3 C CH 3 Ki = 10.5 nM 576.73 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1ccc(C(C)(C)C)cc1)c1c(O)cc(F)c(F)c12 Homo sapiens CHEMBL3888987 assay format
CHEMBL3900332 OBDepict HO N F F F N H N N S N CH 3 H 3 C CH 3 N IC50 = 11.0 nM 594.71 CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nnc(-c3ccccn3)s1)c1c(O)ccc(C(F)(F)F)c12 Homo sapiens CHEMBL3887218 assay format