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P29371 | NK3R_HUMAN | Neuromedin-K receptor (TACR3)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL3898211 OBDepict N N N N O H H N O O CH 3 F Cl F Ki = 0.3 nM 594.06 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL2203705 OBDepict OH H N N N CH 3 CH 3 O H 3 C CH 3 F F F F F F F Ki = 0.6 nM 597.58 Cc1cc(F)ccc1-c1cc(N2CCC[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL2215523 cell-based format
CHEMBL3910487 OBDepict N N N N N O H H N O O CH 3 F Cl F Ki = 0.7 nM 595.05 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL3950819 OBDepict N N N N O H H N O O CH 3 F Cl F Ki = 0.7 nM 594.06 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL1084523 OBDepict OH H N N N CH 3 Cl O CH 3 H 3 C F F F F F F Ki = 0.74 nM 600.0 CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCC[C@H]2CO)cc1-c1ccccc1Cl Homo sapiens CHEMBL1118378 cell-based format
CHEMBL45129 OBDepict O NH H 3 C H N N N O Ki = 0.8 nM 540.75 C[C@H](NC(=O)c1c(CN2CCC(N3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 Homo sapiens CHEMBL824640 assay format
CHEMBL3895968 OBDepict N N N N N O H H N O O CH 3 F Cl F Ki = 0.8 nM 595.05 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL374354 OBDepict H 3 C O N HN O N IC50 = 0.85 nM 445.52 COc1c(-c2ccccc2)nc2ccccc2c1C(=O)NN(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL912491 cell-based format
CHEMBL10188 OBDepict CH 3 N H H O OH N Ki = 1.0 nM 382.46 CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL808517 cell-based format
CHEMBL3935468 OBDepict CH 3 N H O O N H O Cl Cl F N O CH 3 Ki = 1.0 nM 590.52 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL3928796 OBDepict H 3 C N H O O N H O F Cl F N N F Ki = 1.0 nM 587.04 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL10224 OBDepict CH 3 N H H O NH 2 N Ki = 1.2 nM 381.48 CC[C@@H](NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL811267 cell-based format
CHEMBL33868 OBDepict CH 3 NH H O N N N Ki = 1.2 nM 546.76 CC[C@H](NC(=O)c1c(CN2CCN(C3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL824640 assay format
CHEMBL296857 OBDepict CH 3 CH 3 N H H O N N N CH 3 CH 3 Ki = 1.2 nM 520.72 CC(C)[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL824640 assay format
CHEMBL45961 OBDepict H 3 C CH 3 N O N N N H O CH 3 H Ki = 1.4 nM 526.73 CC(C)C(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 Homo sapiens CHEMBL824640 assay format
CHEMBL430118 OBDepict CH 3 N H H O OH N Ki = 1.4 nM 382.46 CC[C@@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL811267 cell-based format
CHEMBL47544 OBDepict CH 3 NH H O N N N Ki = 1.5 nM 546.76 CC[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL824640 assay format
CHEMBL429615 OBDepict OH O N N H O H CH 3 Ki = 1.5 nM 426.52 CC[C@@H](NC(=O)c1c(OCCO)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL811267 cell-based format
CHEMBL1682668 OBDepict CH 3 O N H O N H N O H 3 C Cl Cl Ki = 1.5 nM 580.56 COC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 Homo sapiens CHEMBL1685145 cell-based format
CHEMBL27463 OBDepict O N N Cl Cl O H 3 C IC50 = 1.5 nM 577.6 CC(=O)C1(c2ccccc2)CCN(CCCC2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1 Homo sapiens CHEMBL750066 single protein format
CHEMBL3545233 OBDepict H 3 C N H H O N H S N O O CH 3 IC50 = 1.6 nM 459.57 CC[C@H](NC(=O)c1c(NS(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL3816399 cell-based format
CHEMBL374307 OBDepict CH 3 O N O NH O N N N IC50 = 1.6 nM 585.71 COC(=O)N(NC(=O)c1c(CN2CCN(Cc3ccccc3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL910703 cell-based format
CHEMBL47739 OBDepict O NH H 3 C H N N N Ki = 1.7 nM 538.78 C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 Homo sapiens CHEMBL824640 assay format
CHEMBL47713 OBDepict CH 3 N H H O N N N CH 3 CH 3 Ki = 1.8 nM 506.69 CC[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL824640 assay format
CHEMBL2113673 OBDepict CH 3 O N N H O H CH 3 Ki = 1.8 nM 396.49 CC[C@H](NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL811267 cell-based format
CHEMBL1682676 OBDepict F N H 3 C O H N Cl Cl N N O Ki = 1.8 nM 561.53 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(CC(=O)N2CCCC2)CC1 Homo sapiens CHEMBL1685145 cell-based format
CHEMBL47775 OBDepict CH 3 N H 3 C N N N H O CH 3 H Ki = 1.9 nM 498.72 CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 Homo sapiens CHEMBL824640 assay format
CHEMBL221238 OBDepict CH 3 O N O HN O N N N S IC50 = 1.9 nM 595.77 COC(=O)N(NC(=O)c1c(CN2CCN(C3CCSCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL910703 cell-based format
CHEMBL3919899 OBDepict CH 3 N H O O N H O F Cl F N O CH 3 Ki = 2.0 nM 574.07 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL3955374 OBDepict CH 3 N H O O N H O F Cl F N O CH 3 Ki = 2.0 nM 534.0 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1c1ccc(Cl)c(F)c1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL3904320 OBDepict H 3 C N H O O N H O F Cl F N N H 3 C Ki = 2.0 nM 583.08 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C)cn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL3956685 OBDepict CH 3 N H O O N H O F Cl F N O N Ki = 2.0 nM 585.05 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C#N)CC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL3903457 OBDepict CH 3 N H O O N H O F Cl F N O F Ki = 2.0 nM 592.06 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC(F)C3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL3912486 OBDepict H 3 C N H O O N H O F Cl F N O Ki = 2.0 nM 574.07 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL3927694 OBDepict N N N N N O H H N O O H 3 C Cl F Ki = 2.0 nM 577.06 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nn3)CC2)C[C@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL3912773 OBDepict N N N N O H H N O O H 3 C Cl F Ki = 2.0 nM 576.07 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL3935853 OBDepict N N N N O H H N O O CH 3 F F F Ki = 2.0 nM 577.61 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@H]1c1ccc(F)c(F)c1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL3905385 OBDepict N N N N O H H N O O CH 3 F F F Ki = 2.0 nM 577.61 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL2113680 OBDepict H 3 C O O O N N H O H CH 3 Ki = 2.0 nM 468.55 CCOC(=O)COc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@@H](CC)c1ccccc1 Homo sapiens CHEMBL811267 cell-based format
CHEMBL3912790 OBDepict N N N N N O H H N O O H 3 C Cl F Ki = 2.0 nM 577.06 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL221237 OBDepict CH 3 O N O HN O N N N IC50 = 2.0 nM 577.73 COC(=O)N(NC(=O)c1c(CN2CCN(C3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL910703 cell-based format
CHEMBL3680186 OBDepict N N N N O CH 3 N H H 3 C O O Cl F Ki = 2.1 nM 576.07 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL3705913 cell-based format
CHEMBL3955673 OBDepict H 3 C N H O O N H O Cl F N O Ki = 2.1 nM 556.08 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCC3)CC2)C[C@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL10162 OBDepict CH 3 N H H O N N CH 3 CH 3 Ki = 2.2 nM 423.56 CC[C@@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL811267 cell-based format
CHEMBL10303 OBDepict CH 3 N H H O O N O OH Ki = 2.2 nM 440.5 CC[C@@H](NC(=O)c1c(OCC(=O)O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL811267 cell-based format
CHEMBL44722 OBDepict CH 3 N H H O N N CH 3 CH 3 Ki = 2.2 nM 423.56 CC[C@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL824640 assay format
CHEMBL3648211 OBDepict N N N O CH 3 H O N Cl Cl Ki = 2.3 nM 549.5 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)C[C@@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL3705315 single protein format
CHEMBL3975174 OBDepict CH 3 N H O O N H O Cl F N O F F Ki = 2.4 nM 592.06 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC(F)(F)C3)CC2)C[C@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL275544 OBDepict H 3 C N H O OH N Ki = 2.4 nM 382.46 CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL811267 cell-based format
CHEMBL274629 OBDepict CH 3 N H H O O N N O H 3 C CH 3 Ki = 2.4 nM 467.57 CC[C@@H](NC(=O)c1c(OCC(=O)N(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL811267 cell-based format
CHEMBL447955 OBDepict O N H H H H O CH 3 H F F F F F F F Ki = 2.4 nM 555.53 C[C@@H](O[C@H]1CC[C@@H]2CN(C3=CC(=O)CC3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL994714 single protein format
CHEMBL10188 OBDepict CH 3 N H H O OH N IC50 = 2.4 nM 382.46 CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL912491 cell-based format
CHEMBL2203706 OBDepict F CH 3 N N N CH 3 O H 3 C CH 3 F F F F F F H OH Ki = 2.5 nM 583.55 Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)C2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL2215523 cell-based format
CHEMBL26831 OBDepict Cl Cl N N O IC50 = 2.6 nM 561.6 O=C(c1ccccc1)N1CCCC(CCCN2CCC3(CCc4ccccc43)CC2)(c2ccc(Cl)c(Cl)c2)C1 Homo sapiens CHEMBL750066 single protein format
CHEMBL1682669 OBDepict H 3 C N CH 3 N H O N H N O H 3 C Cl Cl Ki = 2.8 nM 593.6 CN(C)C(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 Homo sapiens CHEMBL1685145 cell-based format
CHEMBL3680195 OBDepict N N N N O CH 3 N H H 3 C O O Cl F Ki = 2.8 nM 576.07 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL3705913 cell-based format
CHEMBL1082415 OBDepict OH N CH 3 N N CH 3 Cl O CH 3 CH 3 F F F F F F Ki = 2.91 nM 573.97 CN(CCO)c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 Homo sapiens CHEMBL1118378 cell-based format
CHEMBL3903836 OBDepict N N N N O H H N O O CH 3 F Cl F Ki = 3.0 nM 594.06 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3cc(C#N)ccn3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL3904868 OBDepict H 3 C N H O O N H O Cl F N N O H 3 C Ki = 3.0 nM 593.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL3924945 OBDepict H 3 C N H O O N H O F Cl F N O CH 3 O Ki = 3.0 nM 590.07 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)COC3)CC2)C[C@H]1c1ccc(Cl)c(F)c1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL4111525 OBDepict O N H CH 3 N N N S S N N CH 3 H 3 C Ki = 3.0 nM 450.59 CC(C)c1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 Homo sapiens CHEMBL3889180 assay format
CHEMBL3422015 OBDepict O N H H 3 C N N N S N O CH 3 CH 3 Ki = 3.0 nM 433.54 CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 Homo sapiens CHEMBL3889180 assay format
CHEMBL567849 OBDepict CH 3 N O CH 3 N H 3 C N O CH 3 Cl Cl F F F F Ki = 3.1 nM 590.49 CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1 Homo sapiens CHEMBL1037639 cell-based format
CHEMBL295059 OBDepict CH 3 N H 3 C N N H O H H 3 C CH 3 Ki = 3.3 nM 437.59 CC(C)[C@H](NC(=O)c1c(CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL824640 assay format
CHEMBL1682674 OBDepict F N H 3 C O H N Cl Cl N O N O Ki = 3.3 nM 577.53 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCOCC2)CC1 Homo sapiens CHEMBL1685145 cell-based format
CHEMBL3985905 OBDepict CH 3 N H O O N H O Cl F N O F Ki = 3.3 nM 574.07 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC(F)C3)CC2)C[C@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL3932428 OBDepict H 3 C N H O O N H O Cl F F N N F Ki = 3.3 nM 587.04 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@H]1c1ccc(F)c(Cl)c1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL220963 OBDepict CH 3 O N O HN O N N N O IC50 = 3.3 nM 579.7 COC(=O)N(NC(=O)c1c(CN2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL910703 cell-based format
CHEMBL47412 OBDepict O N H CH 3 H N N NH Ki = 3.4 nM 456.63 C[C@H](NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 Homo sapiens CHEMBL824640 assay format
CHEMBL3918999 OBDepict H 3 C N H O O N H O Cl F N O F F Ki = 3.4 nM 578.03 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC3(F)F)CC2)C[C@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL375638 OBDepict CH 3 O N O HN O N N F N O IC50 = 3.5 nM 597.69 COC(=O)N(NC(=O)c1c(CN2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 Homo sapiens CHEMBL910703 cell-based format
CHEMBL3905215 OBDepict H 3 C N H O O N H O Cl F N O H 3 C H 3 C Ki = 3.6 nM 570.11 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC3(C)C)CC2)C[C@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL3648210 OBDepict N N N N O CH 3 H O N Cl Cl Ki = 3.7 nM 550.49 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL3705315 single protein format
CHEMBL1682675 OBDepict F N H 3 C O H N Cl Cl N N O Ki = 3.7 nM 563.55 CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(CCN2CCOCC2)CC1 Homo sapiens CHEMBL1685145 cell-based format
CHEMBL3680187 OBDepict N N N O CH 3 N H H 3 C O O Cl F Ki = 3.8 nM 575.08 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)C[C@@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL3705913 cell-based format
CHEMBL3813763 OBDepict H 3 C N H H O N H S N O O CH 3 OH IC50 = 3.9 nM 475.57 CC[C@H](NC(=O)c1c(NS(C)(=O)=O)c(-c2ccccc2O)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL3816399 cell-based format
CHEMBL221445 OBDepict CH 3 O N O N H O N N F N CH 3 CH 3 CH 3 IC50 = 4.0 nM 569.68 COC(=O)N(NC(=O)c1c(CN2CCN(C(C)(C)C)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 Homo sapiens CHEMBL910703 cell-based format
CHEMBL4111118 OBDepict CH 2 S N N N N N H CH 3 O S Ki = 4.0 nM 433.56 C=Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 Homo sapiens CHEMBL3889180 assay format
CHEMBL3890471 OBDepict N N N N O H H N O O H 3 C F F Ki = 4.0 nM 559.62 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1c1ccc(F)cc1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL3926047 OBDepict H 3 C N H O O N H O F Cl F N O F F Ki = 4.0 nM 596.02 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CC3(F)F)CC2)C[C@H]1c1ccc(Cl)c(F)c1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL3974945 OBDepict CH 3 N H O O N H O F Cl F N O O CH 3 CH 3 CH 3 Ki = 4.0 nM 592.08 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1c1ccc(Cl)c(F)c1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL3967237 OBDepict H 3 C N H O O N H O F F F N N O H 3 C Ki = 4.0 nM 594.63 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)=O)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL218421 OBDepict CH 3 O N O N H O O H 3 C N F IC50 = 4.1 nM 445.45 COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 Homo sapiens CHEMBL912491 cell-based format
CHEMBL10284 OBDepict CH 3 N H H O CH 3 N Ki = 4.2 nM 380.49 CC[C@H](NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL808517 cell-based format
CHEMBL1682666 OBDepict Cl Cl N O H H 3 C N N H 3 C O CH 3 Ki = 4.2 nM 578.58 CC(=O)N(C)C1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 Homo sapiens CHEMBL1685145 cell-based format
CHEMBL3648201 OBDepict Cl H N H 3 C O O N Cl O N N CH 3 Ki = 4.3 nM 523.42 Cc1noc(-c2ccc(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)cc2)n1 Homo sapiens CHEMBL3705315 single protein format
CHEMBL3946816 OBDepict H 3 C N H O O N H O Cl F N O O Ki = 4.4 nM 586.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCOCC3)CC2)C[C@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL3648218 OBDepict N N N N O CH 3 H O N Cl Cl Ki = 4.4 nM 550.49 C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL3705315 single protein format
CHEMBL3680188 OBDepict Cl H N H 3 C N CH 3 O O O N N F O CH 3 Ki = 4.5 nM 593.1 CC(=O)c1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)Oc4ccc(F)cc4)C3)CC2)nc1 Homo sapiens CHEMBL3705913 cell-based format
CHEMBL47179 OBDepict O N H CH 3 H N N O Ki = 4.6 nM 457.62 C[C@H](NC(=O)c1c(CN2CCOCC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 Homo sapiens CHEMBL824640 assay format
CHEMBL47408 OBDepict CH 3 N H H O N N HN Ki = 4.7 nM 464.61 CC[C@H](NC(=O)c1c(CN2CCNCC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL824640 assay format
CHEMBL3908670 OBDepict H 3 C N H O O N H O Cl F N N OH H 3 C Ki = 4.7 nM 595.12 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(C)O)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL2113679 OBDepict NH 2 O N N H O H CH 3 Ki = 4.7 nM 425.53 CC[C@H](NC(=O)c1c(OCCN)c(-c2ccccc2)nc2ccccc12)c1ccccc1 Homo sapiens CHEMBL811267 cell-based format
CHEMBL3942210 OBDepict CH 3 O N O N O H H N O O H 3 C Cl F Ki = 4.7 nM 586.1 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(COC)CC3)CC2)C[C@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL3937693 OBDepict H 3 C N H O O N H O Cl F N N Cl Ki = 4.8 nM 585.51 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL4108623 OBDepict H 3 C N N O N N N N H H 3 C O S IC50 = 5.0 nM 420.5 CCc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 Homo sapiens CHEMBL3888926 assay format
CHEMBL3972535 OBDepict N N N N N O H H N O O CH 3 F F F Ki = 5.0 nM 578.6 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)nn3)CC2)C[C@H]1c1ccc(F)c(F)c1 Homo sapiens CHEMBL3888518 cell-based format
CHEMBL3680184 OBDepict Cl H N CH 3 N H 3 C O O O N O F CH 3 Ki = 5.0 nM 556.08 CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@@H]1c1ccc(Cl)cc1 Homo sapiens CHEMBL3705913 cell-based format
CHEMBL4112270 OBDepict CH 3 S N N N N N H CH 3 O S Ki = 5.0 nM 435.58 CCc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)cs1 Homo sapiens CHEMBL3889180 assay format
CHEMBL3976147 OBDepict H 3 C N H O O N H O F F F N N Cl Ki = 5.0 nM 587.04 CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C[C@H]1c1ccc(F)c(F)c1 Homo sapiens CHEMBL3888518 cell-based format