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P46098 | 5HT3A_HUMAN | 5-hydroxytryptamine receptor 3A (HTR3A)

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
CHEMBL261010 OBDepict CH 3 N N N Cl N Ki = 0.04 nM 262.74 CN1CCN(c2nc3ccccc3nc2Cl)CC1 Homo sapiens CHEMBL4219560 cell-based format
CHEMBL1643895 OBDepict O H N N H 3 C N H Ki = 0.06 nM 279.34 Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc21 Homo sapiens CHEMBL1648623 single protein format
CHEMBL596951 OBDepict H 3 C N H H N H O N N CH 3 OH Ki = 0.17 nM 328.42 CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3cccc(O)c13)C2 Homo sapiens CHEMBL1065651 cell-based format
CHEMBL3916920 OBDepict F N O O N H 3 C IC50 = 0.18 nM 344.43 CN1C2CCCC1CC(OC(=O)c1cn(CCF)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3933362 OBDepict F N Cl O O N H 3 C IC50 = 0.2 nM 378.88 CN1C2CCCC1CC(OC(=O)c1c(Cl)n(CCF)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3261480 OBDepict Cl O N N H 3 C H N Ki = 0.2 nM 343.86 Cc1cn2c3c(cc(Cl)cc13)C(=O)N([C@@H]1CN3CCC1CC3)CC2 Homo sapiens CHEMBL3268497 single protein format
CHEMBL3948240 OBDepict F N CH 3 O O N CH 3 IC50 = 0.22 nM 358.46 Cc1c(C(=O)OC2CC3CCCC(C2)N3C)c2ccccc2n1CCF Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3891400 OBDepict F N NH O N O H 3 C IC50 = 0.22 nM 345.42 CN1C2COCC1CC(NC(=O)c1cn(CCF)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL605772 OBDepict H N H 3 C NH H O N N H 3 C O Ki = 0.23 nM 418.54 CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3c(OCc4ccccc4)cccc13)C2 Homo sapiens CHEMBL1065651 cell-based format
CHEMBL3979389 OBDepict F F N NH O N O H 3 C IC50 = 0.23 nM 363.41 CN1C2COCC1CC(NC(=O)c1cn(CC(F)F)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3900767 OBDepict F F N O O F N O H 3 C IC50 = 0.24 nM 382.38 CN1C2COCC1CC(OC(=O)c1cn(CC(F)F)c3ccc(F)cc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3923591 OBDepict H 3 C N O HN O N N N IC50 = 0.28 nM 377.45 CN1C2COCC1CC(NC(=O)c1cn(-c3cccnn3)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3968090 OBDepict H 3 C N O O O N S O O H 3 C F IC50 = 0.29 nM 396.44 CN1C2COCC1CC(OC(=O)c1cn(S(C)(=O)=O)c3ccc(F)cc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3895177 OBDepict N N NH O N O H 3 C IC50 = 0.2985 nM 338.41 CN1C2COCC1CC(NC(=O)c1cn(CC#N)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3979838 OBDepict H 3 C N O HN O N N N H 3 C IC50 = 0.328 nM 379.46 CN1C2COCC1CC(NC(=O)c1cn(-c3cncn3C)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3956338 OBDepict H 3 C N O O O N S O O H 3 C IC50 = 0.33 nM 378.45 CN1C2COCC1CC(OC(=O)c1cn(S(C)(=O)=O)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL15056 OBDepict N O N H N Ki = 0.33 nM 443.64 c1ccc2c(NCCc3ccc(OCCCN4CCCCC4)cc3)c3c(nc2c1)CCCC3 Homo sapiens CHEMBL945897 single protein format
CHEMBL56900 OBDepict N H N N N Ki = 0.36 nM 292.39 c1ccc(Cn2c(N3CCNCC3)nc3ccccc32)cc1 Homo sapiens CHEMBL619058 single protein format
CHEMBL3960051 OBDepict H 3 C N O HN O N N N IC50 = 0.39 nM 377.45 CN1C2COCC1CC(NC(=O)c1cn(-c3cncnc3)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3929017 OBDepict H 3 C N O HN O N S N IC50 = 0.4 nM 382.49 CN1C2COCC1CC(NC(=O)c1cn(-c3cncs3)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3948391 OBDepict H 3 C N O HN O N N S N IC50 = 0.4 nM 383.48 CN1C2COCC1CC(NC(=O)c1cn(-c3cncs3)c3ncccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3982898 OBDepict F F N NH O HN O IC50 = 0.4 nM 349.38 O=C(NC1CC2COCC(C1)N2)c1cn(CC(F)F)c2ccccc12 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3924093 OBDepict H 3 C N O HN O N N N S IC50 = 0.4 nM 383.48 CN1C2COCC1CC(NC(=O)c1cn(-c3cscn3)c3ncccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3941887 OBDepict F F N N NH O N O H 3 C IC50 = 0.4 nM 364.4 CN1C2COCC1CC(NC(=O)c1nn(CC(F)F)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3938528 OBDepict O O N N H S N O IC50 = 0.4155 nM 369.45 O=C(OC1CC2COCC(C1)N2)c1cn(-c2cnsc2)c2ccccc12 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3955543 OBDepict H 3 C N NH O N S O O CH 3 IC50 = 0.42 nM 361.47 CN1C2CCC1CC(NC(=O)c1cn(S(C)(=O)=O)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL93919 OBDepict H 3 C O N S N CH 3 N H Ki = 0.42 nM 285.37 COc1ccccc1-c1csc(Cc2[nH]cnc2C)n1 Homo sapiens CHEMBL618149 assay format
CHEMBL66692 OBDepict CH 3 O N N N N H Ki = 0.42 nM 322.41 COc1ccc(Cn2c(N3CCNCC3)nc3ccccc32)cc1 Homo sapiens CHEMBL619058 single protein format
CHEMBL3934819 OBDepict F F N O O F N H 3 C IC50 = 0.44 nM 380.41 CN1C2CCCC1CC(OC(=O)c1cn(CC(F)F)c3ccc(F)cc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3895498 OBDepict F N N NH O N H 3 C IC50 = 0.45 nM 344.43 CN1C2CCCC1CC(NC(=O)c1nn(CCF)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3891620 OBDepict H 3 C N O O O N N N IC50 = 0.46 nM 378.43 CN1C2COCC1CC(OC(=O)c1cn(-c3cncnc3)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3944903 OBDepict CH 3 N H H O H O O N N N H IC50 = 0.462 nM 366.42 CN1[C@@H]2COC[C@H]1C[C@@H](OC(=O)c1cn(-c3cn[nH]c3)c3ccccc13)C2 Homo sapiens CHEMBL3888524 cell-based format
CHEMBL3973304 OBDepict F F N NH O F N O H 3 C IC50 = 0.49 nM 381.4 CN1C2COCC1CC(NC(=O)c1cn(CC(F)F)c3ccc(F)cc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3979379 OBDepict F F N N NH O N H 3 C IC50 = 0.49 nM 362.42 CN1C2CCCC1CC(NC(=O)c1nn(CC(F)F)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3261483 OBDepict Cl N N O N H N Ki = 0.5 nM 330.82 O=C1c2cc(Cl)cc3cnn(c23)CCN1[C@@H]1CN2CCC1CC2 Homo sapiens CHEMBL3268497 single protein format
CHEMBL3984877 OBDepict H 3 C N O NH O N S O O H 3 C F IC50 = 0.5 nM 395.46 CN1C2COCC1CC(NC(=O)c1cn(S(C)(=O)=O)c3ccc(F)cc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL1110 OBDepict O N N N CH 3 CH 3 N H Ki = 0.5 nM 294.36 Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O Homo sapiens CHEMBL1274533 single protein format
CHEMBL3890437 OBDepict CH 3 N H H O H HN O N N IC50 = 0.51 nM 376.46 CN1[C@@H]2COC[C@H]1C[C@@H](NC(=O)c1cn(-c3cccnc3)c3ccccc13)C2 Homo sapiens CHEMBL3888524 cell-based format
CHEMBL3956047 OBDepict F N CH 3 O O N CH 3 IC50 = 0.53 nM 344.43 Cc1c(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1CCF Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3920436 OBDepict F N O O N H 3 C IC50 = 0.53 nM 330.4 CN1C2CCC1CC(OC(=O)c1cn(CCF)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3947651 OBDepict H 3 C N O O N S O O CH 3 IC50 = 0.54 nM 362.45 CN1C2CCC1CC(OC(=O)c1cn(S(C)(=O)=O)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3927586 OBDepict H 3 C N O NH O N F F F F IC50 = 0.54 nM 399.39 CN1C2COCC1CC(NC(=O)c1cn(CC(F)(F)F)c3ccc(F)cc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3921737 OBDepict H 3 C N O HN O N N N IC50 = 0.55 nM 377.45 CN1C2COCC1CC(NC(=O)c1cn(-c3cnccn3)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3923484 OBDepict H 3 C N O N H O N S O O H 3 C H 3 C IC50 = 0.57 nM 405.52 CC(C)S(=O)(=O)n1cc(C(=O)NC2CC3COCC(C2)N3C)c2ccccc21 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3981749 OBDepict H 3 C N NH O N N S O O H 3 C IC50 = 0.59 nM 376.48 CN1C2CCCC1CC(NC(=O)c1nn(S(C)(=O)=O)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3962464 OBDepict H 3 C N O O O N N N OH IC50 = 0.5975 nM 394.43 CN1C2COCC1CC(OC(=O)c1cn(-c3ccc(O)nn3)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3084769 OBDepict O HN N H O N H N H CH 3 H CH 3 H H 3 C O Ki = 0.6 nM 412.53 C[C@H]1COC[C@H](C)N1c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1 Homo sapiens CHEMBL1274533 single protein format
CHEMBL3978812 OBDepict CH 3 N H H O H HN O N N N IC50 = 0.6 nM 377.45 CN1[C@@H]2COC[C@H]1C[C@@H](NC(=O)c1cn(-c3cccnc3)c3ncccc13)C2 Homo sapiens CHEMBL3888524 cell-based format
CHEMBL3935292 OBDepict F N N O O N O H 3 C IC50 = 0.6 nM 347.39 CN1C2COCC1CC(OC(=O)c1cn(CCF)c3ncccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3971611 OBDepict H 3 C N O HN O N S N IC50 = 0.61 nM 382.49 CN1C2COCC1CC(NC(=O)c1cn(-c3cnsc3)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3905913 OBDepict O O N H H HN H N O IC50 = 0.62 nM 363.42 O=C(O[C@H]1C[C@H]2COC[C@@H](C1)N2)c1cn(-c2cccnc2)c2ccccc12 Homo sapiens CHEMBL3888524 cell-based format
CHEMBL3950793 OBDepict O O N H N H NH H CH 3 N O IC50 = 0.65 nM 366.42 Cn1nccc1-n1cc(C(=O)O[C@H]2C[C@H]3COC[C@@H](C2)N3)c2ccccc21 Homo sapiens CHEMBL3888524 cell-based format
CHEMBL3911935 OBDepict CH 3 N H H O H HN O N N N IC50 = 0.65 nM 377.45 CN1[C@@H]2COC[C@H]1C[C@@H](NC(=O)c1cn(-c3ccccn3)c3ncccc13)C2 Homo sapiens CHEMBL3888524 cell-based format
CHEMBL3911488 OBDepict H 3 C N O O N F F F F IC50 = 0.66 nM 398.4 CN1C2CCCC1CC(OC(=O)c1cn(CC(F)(F)F)c3ccc(F)cc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3901835 OBDepict CH 3 N H H O H HN O N N N CH 3 IC50 = 0.662 nM 379.46 CN1[C@@H]2COC[C@H]1C[C@@H](NC(=O)c1cn(-c3cnn(C)c3)c3ccccc13)C2 Homo sapiens CHEMBL3888524 cell-based format
CHEMBL599011 OBDepict H N H 3 C N H H O N N CH 3 OH Ki = 0.67 nM 328.42 CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3c(O)cccc13)C2 Homo sapiens CHEMBL1065651 cell-based format
CHEMBL3904293 OBDepict H 3 C N O N H O N F F F IC50 = 0.68 nM 381.4 CN1C2COCC1CC(NC(=O)c1cn(CC(F)(F)F)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3973885 OBDepict H 3 C N N N O O H H N H H O IC50 = 0.68 nM 366.42 Cn1cc(-n2cc(C(=O)O[C@H]3C[C@H]4COC[C@@H](C3)N4)c3ccccc32)cn1 Homo sapiens CHEMBL3888524 cell-based format
CHEMBL3984660 OBDepict H 3 C N O O O N N N F IC50 = 0.681 nM 396.42 CN1C2COCC1CC(OC(=O)c1cn(-c3ccc(F)nn3)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3976639 OBDepict CH 3 N H H O H HN O N N IC50 = 0.69 nM 376.46 CN1[C@@H]2COC[C@H]1C[C@@H](NC(=O)c1cn(-c3ccncc3)c3ccccc13)C2 Homo sapiens CHEMBL3888524 cell-based format
CHEMBL18041 OBDepict CH 3 O NH 2 NH O Cl N Ki = 0.7 nM 309.8 COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 Homo sapiens CHEMBL618152 assay format
CHEMBL1643884 OBDepict O N H N N N CH 3 Ki = 0.7 nM 296.37 Cn1nc2c3c(cccc31)C(=O)N([C@@H]1CN3CCC1CC3)C2 Homo sapiens CHEMBL1648623 single protein format
CHEMBL1643894 OBDepict O N H N N CH 3 Ki = 0.7 nM 295.39 Cn1cc2c3c(cccc31)C(=O)N([C@@H]1CN3CCC1CC3)C2 Homo sapiens CHEMBL1648623 single protein format
CHEMBL3960503 OBDepict H 3 C N O HN O N N N S IC50 = 0.702 nM 383.48 CN1C2COCC1CC(NC(=O)c1cn(-c3nccs3)c3ncccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3987099 OBDepict CH 3 N H H O H NH O N N F N IC50 = 0.72 nM 395.44 CN1[C@@H]2COC[C@H]1C[C@@H](NC(=O)c1cn(-c3cccnc3)c3ncc(F)cc13)C2 Homo sapiens CHEMBL3888524 cell-based format
CHEMBL3955200 OBDepict H 3 C N O O N S O O H 3 C F IC50 = 0.74 nM 394.47 CN1C2CCCC1CC(OC(=O)c1cn(S(C)(=O)=O)c3ccc(F)cc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3920493 OBDepict H N N N NH O H H N H H O IC50 = 0.745 nM 351.41 O=C(N[C@H]1C[C@H]2COC[C@@H](C1)N2)c1cn(-c2cn[nH]c2)c2ccccc12 Homo sapiens CHEMBL3888524 cell-based format
CHEMBL3966488 OBDepict F N O O N N O H 3 C IC50 = 0.746 nM 371.41 CN1C2COCC1CC(OC(=O)c1cn(CCF)c3ccc(C#N)cc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3909570 OBDepict H 3 C N O HN O N N N IC50 = 0.75 nM 377.45 CN1C2COCC1CC(NC(=O)c1cn(-c3ccnnc3)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3947167 OBDepict H 3 C N NH O N N S O O CH 3 IC50 = 0.75 nM 362.46 CN1C2CCC1CC(NC(=O)c1nn(S(C)(=O)=O)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3950406 OBDepict CH 3 N H H O H HN O N N N CH 3 IC50 = 0.75 nM 379.46 CN1[C@@H]2COC[C@H]1C[C@@H](NC(=O)c1cn(-c3ccn(C)n3)c3ccccc13)C2 Homo sapiens CHEMBL3888524 cell-based format
CHEMBL3939459 OBDepict F F N N N H O N H 3 C IC50 = 0.75 nM 348.4 CN1C2CCC1CC(NC(=O)c1nn(CC(F)F)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3893818 OBDepict F F N O O N H 3 C IC50 = 0.78 nM 348.39 CN1C2CCC1CC(OC(=O)c1cn(CC(F)F)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3261484 OBDepict CH 3 N N O N H N Ki = 0.8 nM 310.4 Cc1cc2c3c(cnn3CCN([C@@H]3CN4CCC3CC4)C2=O)c1 Homo sapiens CHEMBL3268497 single protein format
CHEMBL3673243 OBDepict H 3 C N N O N N Ki = 0.8 nM 310.4 Cc1cc2c3c(cnn3CCN(C3CN4CCC3CC4)C2=O)c1 Homo sapiens CHEMBL3706294 assay format
CHEMBL3905810 OBDepict H 3 C N O O N H O IC50 = 0.83 nM 354.45 CN1C2CCC1CC(OC(=O)c1cn([C@H]3CCOC3)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3973732 OBDepict F F N N O O N O H 3 C IC50 = 0.84 nM 365.38 CN1C2COCC1CC(OC(=O)c1cn(CC(F)F)c3ncccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3958157 OBDepict H 3 C N O N H O N N F F F IC50 = 0.86 nM 382.39 CN1C2COCC1CC(NC(=O)c1nn(CC(F)(F)F)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3951304 OBDepict H 3 C N O HN O N N S IC50 = 0.86 nM 382.49 CN1C2COCC1CC(NC(=O)c1cn(-c3nccs3)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3909661 OBDepict H 3 C N O HN O N N S IC50 = 0.87 nM 382.49 CN1C2COCC1CC(NC(=O)c1cn(-c3ccsn3)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3917359 OBDepict CH 3 N H H O H NH O N N N F IC50 = 0.8825 nM 395.44 CN1[C@@H]2COC[C@H]1C[C@@H](NC(=O)c1cn(-c3ccccn3)c3ncc(F)cc13)C2 Homo sapiens CHEMBL3888524 cell-based format
CHEMBL3925926 OBDepict H 3 C N O O N F F F IC50 = 0.89 nM 366.38 CN1C2CCC1CC(OC(=O)c1cn(CC(F)(F)F)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3919866 OBDepict F F N O O F N H 3 C IC50 = 0.89 nM 366.38 CN1C2CCC1CC(OC(=O)c1cn(CC(F)F)c3ccc(F)cc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL1643893 OBDepict O N H N N CH 3 Ki = 0.9 nM 295.39 Cn1cc2c3c(cccc31)C(=O)N([C@H]1CN3CCC1CC3)C2 Homo sapiens CHEMBL1648623 single protein format
CHEMBL3920932 OBDepict F N Cl O O N H 3 C IC50 = 0.9 nM 364.85 CN1C2CCC1CC(OC(=O)c1c(Cl)n(CCF)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3959461 OBDepict O O N N N H N O IC50 = 0.914 nM 364.41 O=C(OC1CC2COCC(C1)N2)c1cn(-c2cccnn2)c2ccccc12 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL4867565 OBDepict F S N O O N N HN Ki = 0.93 nM 410.47 O=S(=O)(c1cccc(F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21 Homo sapiens CHEMBL4844533 single protein format
CHEMBL3925843 OBDepict H 3 C N O O Cl N S O O CH 3 IC50 = 0.93 nM 396.9 CN1C2CCC1CC(OC(=O)c1c(Cl)n(S(C)(=O)=O)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3986091 OBDepict H 3 C N O O N O IC50 = 0.94 nM 354.45 CN1C2CCC1CC(OC(=O)c1cn(C3CCOC3)c3ccccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3917810 OBDepict H 3 C N O O O N N F N IC50 = 0.9457 nM 358.37 CN1C2COCC1CC(OC(=O)c1cn(CC#N)c3c(F)nccc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3963201 OBDepict O O N H H HN H O N IC50 = 0.95 nM 363.42 O=C(O[C@H]1C[C@H]2COC[C@@H](C1)N2)c1cn(-c2ccncc2)c2ccccc12 Homo sapiens CHEMBL3888524 cell-based format
CHEMBL3986850 OBDepict F F N N NH O F N O H 3 C IC50 = 0.95 nM 382.39 CN1C2COCC1CC(NC(=O)c1cn(CC(F)F)c3ncc(F)cc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3904155 OBDepict H 3 C N O O N F O IC50 = 0.95 nM 372.44 CN1C2CCC1CC(OC(=O)c1cn(C3CCOC3)c3ccc(F)cc13)C2 Homo sapiens CHEMBL3888296 cell-based format
CHEMBL3914905 OBDepict CH 3 N H H O H HN O N N IC50 = 0.96 nM 376.46 CN1[C@@H]2COC[C@H]1C[C@@H](NC(=O)c1cn(-c3ccccn3)c3ccccc13)C2 Homo sapiens CHEMBL3888524 cell-based format
CHEMBL3679396 OBDepict CH 3 N N H N O H N Ki = 1.0 nM 310.4 CCN1Nc2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 Homo sapiens CHEMBL3705298 single protein format
CHEMBL421747 OBDepict H N N H 3 C S N N Ki = 1.0 nM 306.39 Cc1[nH]cnc1Cc1nc(-c2cccc3cccnc23)cs1 Homo sapiens CHEMBL618149 assay format
CHEMBL3679393 OBDepict CH 3 N N H N O H N Ki = 1.0 nM 296.37 CN1Nc2cn([C@@H]3CN4CCC3CC4)c(=O)c3cccc1c23 Homo sapiens CHEMBL3705298 single protein format
CHEMBL3679406 OBDepict Br NH N H O N H N Ki = 1.0 nM 361.24 O=c1c2cc(Br)cc3c2c(cn1[C@H]1CN2CCC1CC2)NN3 Homo sapiens CHEMBL3705298 single protein format
CHEMBL62023 OBDepict CH 3 N O N N H O N H 3 C Ki = 1.0 nM 328.42 CCn1c(=O)n(C(=O)NC2CC3CCC(C2)N3C)c2ccccc21 Homo sapiens CHEMBL993920 single protein format
CHEMBL3084770 OBDepict CH 3 H N O N O H H 3 C HN O H H N H CH 3 Ki = 1.0 nM 426.56 CC[C@H]1COC[C@H](C)N1c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1 Homo sapiens CHEMBL1274533 single protein format