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Q9P0X4 | CAC1I_HUMAN | Voltage-dependent T-type calcium channel subunit alpha-1I (CACNA1I)

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
CHEMBL4203847 OBDepict O N H N N N N H 3 C F F IC50 = 0.76 nM 381.39 Cn1ncc2cc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)ccc21 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4205005 OBDepict O N H N N N CH 3 CH 3 F F IC50 = 0.89 nM 370.4 CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cc1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4216687 OBDepict H 3 C O F F N N N H O N H 3 C CH 3 IC50 = 0.92 nM 400.43 COc1c(F)cc(Cn2ccc(NC(=O)Cc3ccc(N(C)C)cc3)n2)cc1F Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4204507 OBDepict O N H N N N CH 3 CH 3 O F F F IC50 = 1.0 nM 418.42 CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(OC(F)(F)F)cc3)n2)cc1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4204077 OBDepict O N H N N N CH 3 CH 3 Cl IC50 = 1.1 nM 368.87 CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)cc1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL1684954 OBDepict O HN CH 3 H N O F F F Ki = 1.2 nM 378.39 C[C@@H](NC(=O)Cc1ccc(C2CC2)cc1)c1ccc(OCC(F)(F)F)cn1 Homo sapiens CHEMBL1686262 single protein format
CHEMBL4215974 OBDepict O N H N N H 3 C O F F IC50 = 1.2 nM 397.43 CC1(c2ccc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)cc2)COC1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4208626 OBDepict O N H N N F O F F IC50 = 1.3 nM 401.39 O=C(Cc1ccc(C2(F)COC2)cc1)Nc1ccn(Cc2ccc(F)c(F)c2)n1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL1684950 OBDepict O N H CH 3 H N O CH 3 CH 3 F F F IC50 = 1.5 nM 380.41 CC(C)c1ccc(CC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cn2)cc1 Homo sapiens CHEMBL3855322 cell-based format
CHEMBL4209481 OBDepict O N H N N N N N H 3 C F F IC50 = 1.5 nM 382.37 Cn1ncc2cc(CC(=O)Nc3cnn(Cc4ccc(F)c(F)c4)n3)ccc21 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4205399 OBDepict O N H N N O CH 3 CH 3 F F IC50 = 1.6 nM 377.44 CC(C)c1ccc(CC(=O)Nc2ccn(CC3CCC(F)(F)CO3)n2)cc1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4209376 OBDepict O N H N N N CH 3 H 3 C O F F IC50 = 1.6 nM 400.43 CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(OC(F)F)cc3)n2)cc1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4208907 OBDepict N N N N N H O CH 3 O F F F IC50 = 1.7 nM 429.4 Cc1cc(CC(=O)Nc2ccn(Cc3ccc(C#N)cn3)n2)ccc1OCC(F)(F)F Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4203748 OBDepict O N H N N O O F CH 3 CH 3 F IC50 = 1.8 nM 427.45 CC1(C)OCC(c2ccc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)cc2)O1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4218161 OBDepict N F N N N H O N CH 3 CH 3 IC50 = 1.8 nM 377.42 CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(C#N)c(F)c3)n2)cc1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4203101 OBDepict O N H N N N H 3 C CH 3 H 3 C O F F IC50 = 1.8 nM 424.45 CN1C(=O)C(C)(C)c2cc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)ccc21 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4207031 OBDepict O N H N N CH 3 CH 3 F F IC50 = 1.8 nM 369.42 CC(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cc1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4206509 OBDepict O HN N N F F F F IC50 = 1.8 nM 417.41 O=C(Cc1ccc(C2CC(F)(F)C2)cc1)Nc1ccn(Cc2ccc(F)c(F)c2)n1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4213335 OBDepict O N H N N N H 3 C CH 3 CH 3 IC50 = 1.8 nM 348.45 Cc1ccc(Cn2ccc(NC(=O)Cc3ccc(N(C)C)cc3)n2)cc1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4212039 OBDepict O N H N N N H F F IC50 = 1.9 nM 366.37 O=C(Cc1ccc2cc[nH]c2c1)Nc1ccn(Cc2ccc(F)c(F)c2)n1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4212176 OBDepict N N N N N H O H 3 C O F F F IC50 = 2.0 nM 415.38 Cc1cc(CC(=O)Nc2ccn(Cc3ccc(C#N)cn3)n2)ccc1OC(F)(F)F Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4208950 OBDepict O N H N N N CH 3 CH 3 F IC50 = 2.0 nM 352.41 CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4207159 OBDepict O HN N N N H F F IC50 = 2.1 nM 366.37 O=C(Cc1ccc2[nH]ccc2c1)Nc1ccn(Cc2ccc(F)c(F)c2)n1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4214862 OBDepict O N H N N N N F F F F IC50 = 2.3 nM 433.41 O=C(Cc1ccc(N2CCC(F)(F)C2)nc1)Nc1ccn(Cc2ccc(F)c(F)c2)n1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4218608 OBDepict N N N N N H O H 3 C H 3 C CH 3 IC50 = 2.6 nM 373.46 CC(C)(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(C#N)cn3)n2)cc1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4207979 OBDepict O N H N N O N CH 3 O F F IC50 = 2.8 nM 398.37 Cn1c(=O)oc2cc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)ccc21 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4208413 OBDepict O N H N N N H 3 C CH 3 CH 3 IC50 = 2.8 nM 348.45 Cc1cccc(Cn2ccc(NC(=O)Cc3ccc(N(C)C)cc3)n2)c1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4217227 OBDepict CH 3 N H 3 C N H O N N IC50 = 2.9 nM 334.42 CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccccc3)n2)cc1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4207291 OBDepict H 3 C O N H O F F F N N N N IC50 = 2.9 nM 443.43 CCc1cc(CC(=O)Nc2ccn(Cc3ccc(C#N)cn3)n2)ccc1OCC(F)(F)F Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4204295 OBDepict O N H N N N N H 3 C F F IC50 = 3.3 nM 381.39 Cn1ccc2cc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)cnc21 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4216279 OBDepict H 3 C O N N N H O N H 3 C CH 3 IC50 = 3.4 nM 364.45 COc1ccc(Cn2ccc(NC(=O)Cc3ccc(N(C)C)cc3)n2)cc1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4210292 OBDepict CH 3 CH 3 N H O N N O F F F IC50 = 3.4 nM 369.39 CC(C)c1ccc(CC(=O)Nc2ccn(CCOCC(F)(F)F)n2)cc1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4204611 OBDepict N N N N H O N CH 3 CH 3 IC50 = 3.5 nM 359.43 CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(C#N)cc3)n2)cc1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4204873 OBDepict O N H N N O F O F IC50 = 3.6 nM 399.4 O=C(Cc1ccc(OC2COC2)cc1)Nc1ccn(Cc2ccc(F)c(F)c2)n1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL3906199 OBDepict O N HN H H 3 C H H 3 C N F F IC50 = 4.0 nM 435.52 C[C@H]1c2ccccc2N(Cc2cccc(F)c2F)C[C@@H](C)N1C(=O)NCc1ccccc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3936835 OBDepict F N H H 3 C N H H 3 C N H O N IC50 = 4.0 nM 404.49 C[C@H]1c2ccc(F)cc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)Nc1cccnc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3921765 OBDepict O N N H H H 3 C H H 3 C N N D D IC50 = 4.0 nM 388.51 [2H]C([2H])(c1ccccc1)N1C[C@@H](C)N(C(=O)Nc2cccnc2)[C@@H](C)c2ccccc21 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3906825 OBDepict F N N H CH 3 N H H 3 C N H O IC50 = 4.0 nM 418.52 C[C@H]1c2ccc(F)nc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)NCc1ccccc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL4211393 OBDepict O N H N N N N CH 3 CH 3 F F IC50 = 4.0 nM 371.39 CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cn1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4204573 OBDepict N N N N N H O CH 3 O F F F IC50 = 4.1 nM 443.43 Cc1cc(CC(=O)Nc2ccn(Cc3ccc(C#N)cn3)n2)ccc1OCCC(F)(F)F Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4209751 OBDepict O N H CH 3 N N N CH 3 H 3 C F IC50 = 4.7 nM 366.44 CC(C(=O)Nc1ccn(Cc2ccc(F)cc2)n1)c1ccc(N(C)C)cc1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL1684932 OBDepict CH 3 O N N H CH 3 H O H 3 C CH 3 H 3 C Ki = 5.0 nM 326.44 COc1ccc([C@@H](C)NC(=O)Cc2ccc(C(C)(C)C)cc2)nc1 Homo sapiens CHEMBL1686262 single protein format
CHEMBL3896161 OBDepict F N H CH 3 N H H 3 C N H O N IC50 = 5.0 nM 404.49 C[C@H]1c2ccccc2N(Cc2cccc(F)c2)C[C@@H](C)N1C(=O)Nc1cccnc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3924174 OBDepict O N N H H CH 3 H CH 3 N N F IC50 = 5.0 nM 404.49 C[C@H]1c2ccccc2N(Cc2ccccc2F)C[C@@H](C)N1C(=O)Nc1cccnc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL4205975 OBDepict O N H N O N N O F F F IC50 = 5.2 nM 446.43 O=C(NCc1ccc(N2CCCC2)nc1)c1coc(Cc2ccc(OC(F)(F)F)cc2)n1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4209946 OBDepict O N H N N N N F H F F IC50 = 5.4 nM 415.42 O=C(Cc1ccc(N2CC[C@H](F)C2)nc1)Nc1ccn(Cc2ccc(F)c(F)c2)n1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL3968363 OBDepict O N N H H H 3 C H H 3 C N N F F IC50 = 6.0 nM 422.48 C[C@H]1c2ccccc2N(Cc2ccc(F)c(F)c2)C[C@@H](C)N1C(=O)Nc1cccnc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3969822 OBDepict O N NH H CH 3 H H 3 C N O F F F IC50 = 6.0 nM 457.5 C[C@H]1c2ccccc2N(Cc2ccc(C(F)(F)F)o2)C[C@@H](C)N1C(=O)NCc1ccccc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3918060 OBDepict O N NH H CH 3 H H 3 C N S N F F F IC50 = 6.0 nM 474.55 C[C@H]1c2ccccc2N(Cc2cnc(C(F)(F)F)s2)C[C@@H](C)N1C(=O)NCc1ccccc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3934860 OBDepict CH 3 O NH N O H CH 3 H CH 3 N IC50 = 6.0 nM 429.56 COc1ccc(CNC(=O)N2[C@@H](C)c3ccccc3N(Cc3ccccc3)C[C@H]2C)cc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3950196 OBDepict O N H CH 3 H CH 3 S N N IC50 = 6.0 nM 391.54 C[C@H]1c2ccccc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)Cc1cncs1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL4211105 OBDepict O HN N N O F F F F IC50 = 6.1 nM 433.41 O=C(Cc1ccc(OC2CC(F)(F)C2)cc1)Nc1ccn(Cc2ccc(F)c(F)c2)n1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4209075 OBDepict H 3 C O CH 3 N H O N N IC50 = 6.5 nM 335.41 COc1ccc(CC(=O)Nc2ccn(Cc3ccccc3)n2)cc1C Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4206219 OBDepict O HN N N O F H 3 C F O IC50 = 6.6 nM 427.45 CC1(COc2ccc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)cc2)COC1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL3897240 OBDepict F N H H 3 C N H CH 3 N H O N IC50 = 7.0 nM 404.49 C[C@H]1c2ccccc2N(Cc2ccc(F)cc2)C[C@@H](C)N1C(=O)Nc1cccnc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3984489 OBDepict O N N H CH 3 H CH 3 N O IC50 = 7.0 nM 393.53 C[C@H]1c2ccccc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)CN1CCOCC1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL4216756 OBDepict O N H S N CH 3 CH 3 F F IC50 = 7.1 nM 386.47 CC(C)c1ccc(CC(=O)Nc2nc(Cc3ccc(F)c(F)c3)cs2)cc1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4217292 OBDepict N N N N HN O F F F IC50 = 7.5 nM 425.41 N#Cc1ccc(Cn2ccc(NC(=O)Cc3ccc(C4(C(F)(F)F)CC4)cc3)n2)nc1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4218617 OBDepict CH 3 H 3 C N H O N N IC50 = 7.6 nM 333.44 CC(C)c1ccc(CC(=O)Nc2ccn(Cc3ccccc3)n2)cc1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4205754 OBDepict O N H N N N CH 3 CH 3 CH 3 F F IC50 = 7.9 nM 384.43 CC(C)(C)c1ccc(CC(=O)Nc2ncn(Cc3ccc(F)c(F)c3)n2)cc1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL3914936 OBDepict F N H CH 3 N N H O H CH 3 N IC50 = 8.0 nM 404.49 C[C@H]1c2cc(F)ccc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)Nc1cccnc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL4209235 OBDepict O NH N N H 3 C CH 3 F F IC50 = 8.0 nM 383.44 CC(C)c1ccc(CC(=O)NCc2ccn(Cc3ccc(F)c(F)c3)n2)cc1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL3945715 OBDepict F F N H CH 3 N H CH 3 N H O N IC50 = 8.0 nM 422.48 C[C@H]1c2c(F)cc(F)cc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)Nc1cccnc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3943761 OBDepict O N HN H H 3 C H H 3 C N N IC50 = 8.0 nM 400.53 C[C@H]1c2cccnc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)NCc1ccccc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3913893 OBDepict O N HN H H 3 C H H 3 C N IC50 = 8.0 nM 399.54 C[C@H]1c2ccccc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)NCc1ccccc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3979902 OBDepict O N H CH 3 H CH 3 N O IC50 = 8.0 nM 378.52 C[C@H]1c2ccccc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)C1CCOCC1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3977114 OBDepict O N N H CH 3 H CH 3 N O IC50 = 9.0 nM 379.5 C[C@H]1c2ccccc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)N1CCOCC1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3931239 OBDepict O N N H H CH 3 H CH 3 N N O F F F IC50 = 9.0 nM 444.46 C[C@H]1c2ccccc2N(Cc2ccc(C(F)(F)F)o2)C[C@@H](C)N1C(=O)Nc1cccnc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3933865 OBDepict F N N H CH 3 N N H O H H 3 C IC50 = 9.0 nM 418.52 C[C@H]1c2c(F)cncc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)NCc1ccccc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL4211522 OBDepict O N H N N N N H 3 C F F IC50 = 9.0 nM 381.39 Cn1cnc2ccc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)cc21 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4210341 OBDepict O N H S N N F CH 3 CH 3 F IC50 = 9.7 nM 387.46 CN(C)c1ccc(CNC(=O)c2nc(Cc3ccc(F)c(F)c3)cs2)cc1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4206470 OBDepict O NH CH 3 N N H 3 C CH 3 F F IC50 = 9.8 nM 397.47 CC(C)c1ccc(CC(=O)NC(C)c2ccn(Cc3ccc(F)c(F)c3)n2)cc1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4205371 OBDepict F N N N N H N CH 3 H 3 C IC50 = 10.0 nM 349.41 CN(C)c1ccc(Cc2nc3cn(Cc4ccc(F)cc4)nc3[nH]2)cc1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL3941448 OBDepict O N H H 3 C H H 3 C N N IC50 = 10.0 nM 399.54 C[C@H]1c2ccccc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)CCc1cccnc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3926060 OBDepict O N NH H CH 3 H H 3 C N N O F F F IC50 = 10.0 nM 458.48 C[C@H]1c2ccncc2N(Cc2ccc(C(F)(F)F)o2)C[C@@H](C)N1C(=O)NCc1ccccc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3984761 OBDepict O N N H H CH 3 H CH 3 N N F IC50 = 10.0 nM 404.49 C[C@H]1c2c(F)cccc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)Nc1cccnc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL4205068 OBDepict N N N H N O F F N N H 3 C IC50 = 10.0 nM 406.4 Cn1ncc2cc(CC(=O)Nc3nn(Cc4ccc(F)c(F)c4)cc3C#N)ccc21 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4218220 OBDepict O N H N N N N F F F F IC50 = 10.0 nM 433.41 O=C(NCc1ccc(N2CCC(F)(F)C2)nc1)c1ccn(Cc2ccc(F)c(F)c2)n1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL3940280 OBDepict H 3 C O N N H CH 3 N H H 3 C N H O IC50 = 10.0 nM 430.55 COc1ccc(CN2C[C@@H](C)N(C(=O)NCc3ccccc3)[C@@H](C)c3ccccc32)cn1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3978193 OBDepict O N HN H H 3 C H H 3 C N F N IC50 = 10.0 nM 418.52 C[C@H]1c2ccccc2N(Cc2cccnc2F)C[C@@H](C)N1C(=O)NCc1ccccc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL4202684 OBDepict O NH N N N F F IC50 = 10.0 nM 368.39 O=C(Cc1ccc(C2CC2)nc1)Nc1ccn(Cc2ccc(F)c(F)c2)n1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL4214341 OBDepict O N H N N N O F F F F F IC50 = 11.0 nM 426.35 O=C(Cc1ccc(OCC(F)(F)F)nc1)Nc1ccn(Cc2ccc(F)c(F)c2)n1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL3938021 OBDepict H 3 C O N H N O H CH 3 H H 3 C N N O F F F IC50 = 11.0 nM 488.51 COc1ccc(CNC(=O)N2[C@@H](C)c3ccncc3N(Cc3ccc(C(F)(F)F)o3)C[C@H]2C)cc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3956823 OBDepict CH 3 O NH N O H CH 3 H CH 3 N N IC50 = 12.0 nM 430.55 COc1ccc(CNC(=O)N2[C@@H](C)c3ccncc3N(Cc3ccccc3)C[C@H]2C)cc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3939715 OBDepict O N N H H CH 3 H CH 3 N O CH 3 H 3 C CH 3 IC50 = 12.0 nM 409.57 C[C@H]1c2ccccc2N(CCOC(C)(C)C)C[C@@H](C)N1C(=O)NCc1ccccc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3985310 OBDepict CH 3 H 3 C N H CH 3 N H CH 3 N H O N IC50 = 12.0 nM 366.51 CC(C)CCN1C[C@@H](C)N(C(=O)Nc2cccnc2)[C@@H](C)c2ccccc21 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3898772 OBDepict O N N H H CH 3 H H 3 C N O IC50 = 12.0 nM 365.48 C[C@H]1c2ccccc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)NC1COC1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3916048 OBDepict H 3 C CH 3 N H H 3 C N H H 3 C O N IC50 = 13.0 nM 379.55 CC(C)CCN1C[C@@H](C)N(C(=O)CCc2cccnc2)[C@@H](C)c2ccccc21 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3942836 OBDepict O N HN H H 3 C H H 3 C N N F F IC50 = 13.0 nM 436.51 C[C@H]1c2ccncc2N(Cc2cccc(F)c2F)C[C@@H](C)N1C(=O)NCc1ccccc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3926201 OBDepict O N N H H CH 3 H H 3 C N O F IC50 = 13.0 nM 383.47 C[C@H]1c2c(F)cccc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)NC1COC1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3902886 OBDepict O N H CH 3 H H 3 C N N S N F F F IC50 = 13.0 nM 474.55 C[C@H]1c2ccccc2N(Cc2cnc(C(F)(F)F)s2)C[C@@H](C)N1C(=O)CCc1cccnc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3949063 OBDepict O N N H H CH 3 H H 3 C N N F F F IC50 = 14.0 nM 468.52 C[C@H]1c2ccccc2N(Cc2cccc(C(F)(F)F)n2)C[C@@H](C)N1C(=O)NCc1ccccc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3889862 OBDepict O N N H H CH 3 H CH 3 N N IC50 = 14.0 nM 386.5 C[C@H]1c2ccccc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)Nc1cccnc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL3915547 OBDepict O N N H H CH 3 H H 3 C N N IC50 = 14.0 nM 378.52 C[C@H]1c2ccccc2N(CC2CCCC2)C[C@@H](C)N1C(=O)Nc1cccnc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL4217691 OBDepict O N H N N N N N F H 3 C F IC50 = 14.0 nM 382.37 Cn1ncc2cc(CNC(=O)c3cnn(Cc4ccc(F)c(F)c4)n3)ccc21 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL3925915 OBDepict F N N H H 3 C N N H O H CH 3 IC50 = 15.0 nM 418.52 C[C@H]1c2cc(F)cnc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)NCc1ccccc1 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL4205450 OBDepict O NH N S N F CH 3 CH 3 F IC50 = 15.0 nM 387.46 CN(C)c1ccc(CNC(=O)c2csc(Cc3ccc(F)c(F)c3)n2)cc1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL3980491 OBDepict O N N H H CH 3 H H 3 C N D D N IC50 = 15.0 nM 402.54 [2H]C([2H])(c1ccccc1)N1C[C@@H](C)N(C(=O)NCc2ccccc2)[C@@H](C)c2ccncc21 Homo sapiens CHEMBL3865205 cell-based format
CHEMBL4215146 OBDepict O N H N N O F F F IC50 = 15.0 nM 375.35 O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1ccn(Cc2ccccc2)n1 Homo sapiens CHEMBL4181721 cell-based format
CHEMBL3912958 OBDepict F N H CH 3 N O H H 3 C N IC50 = 17.0 nM 417.53 C[C@H]1c2c(F)cccc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)CCc1cccnc1 Homo sapiens CHEMBL3865205 cell-based format