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P42338 | PK3CB_HUMAN | "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform" (PIK3CB)

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
CHEMBL4867931 OBDepict H 3 C O N H S N O O H 2 N O HN IC50 = -74900.0 nM 464.55 COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 Homo sapiens CHEMBL4804467 cell-based format
CHEMBL2089119 OBDepict HO O S N N O N S CH 3 N Cl O IC50 = 0.05 nM 466.97 Cc1c(Cl)cccc1Cn1c(SCC(=O)O)nc(=O)c2sc(N3CCOCC3)nc21 Homo sapiens CHEMBL2090368 single protein format
CHEMBL2089114 OBDepict HO N N O N S CH 3 N Cl O IC50 = 0.1 nM 406.9 Cc1c(Cl)cccc1Cn1c(CO)nc(=O)c2sc(N3CCOCC3)nc21 Homo sapiens CHEMBL2090368 single protein format
CHEMBL2089112 OBDepict HO N N O N S CH 3 N F F F O IC50 = 0.2 nM 440.45 Cc1c(Cn2c(CO)nc(=O)c3sc(N4CCOCC4)nc32)cccc1C(F)(F)F Homo sapiens CHEMBL2090368 single protein format
CHEMBL1762790 OBDepict HO HO N H N N N N H 3 C N NH 2 IC50 = 0.2 nM 349.35 Cc1nc(N)nc(-n2c(Nc3cc(O)cc(O)c3)nc3ccccc32)n1 Homo sapiens CHEMBL1763563 single protein format
CHEMBL2089120 OBDepict Cl CH 3 N H 2 N N N S O N O IC50 = 0.2 nM 391.88 Cc1c(Cl)cccc1Cn1c(N)nc(=O)c2sc(N3CCOCC3)nc21 Homo sapiens CHEMBL2090368 single protein format
CHEMBL2089116 OBDepict H 3 C O N N O N S CH 3 N Cl O IC50 = 0.3 nM 406.9 COc1nc(=O)c2sc(N3CCOCC3)nc2n1Cc1cccc(Cl)c1C Homo sapiens CHEMBL2090368 single protein format
CHEMBL2089118 OBDepict H 3 C S N N O N S CH 3 N Cl O IC50 = 0.3 nM 422.96 CSc1nc(=O)c2sc(N3CCOCC3)nc2n1Cc1cccc(Cl)c1C Homo sapiens CHEMBL2090368 single protein format
CHEMBL4176771 OBDepict CH 3 O N HN S O O F F O N H 3 C N H O NH 2 IC50 = 0.4 nM 543.55 COc1ncc(-c2cc(O[C@@H]3CCOC3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F Homo sapiens CHEMBL4150388 single protein format
CHEMBL2018220 OBDepict CH 3 S N N N N O CH 3 N F F F O IC50 = 0.4 nM 439.46 CSc1nn2c(=O)cc(N3CCOCC3)nc2n1Cc1cccc(C(F)(F)F)c1C Homo sapiens CHEMBL2019373 single protein format
CHEMBL2089108 OBDepict H 3 C N N O N S CH 3 N F F F O IC50 = 0.5 nM 438.48 CCc1nc(=O)c2sc(N3CCOCC3)nc2n1Cc1cccc(C(F)(F)F)c1C Homo sapiens CHEMBL2090368 single protein format
CHEMBL1086377 OBDepict CH 3 N N N H O S O N O O IC50 = 0.5 nM 582.73 CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c3sc4ccccc4c23)CC1 Homo sapiens CHEMBL2423426 single protein format
CHEMBL2089107 OBDepict Cl CH 3 N H 3 C N N S O N O IC50 = 0.5 nM 390.9 Cc1c(Cl)cccc1Cn1c(C)nc(=O)c2sc(N3CCOCC3)nc21 Homo sapiens CHEMBL2090368 single protein format
CHEMBL2089109 OBDepict H 3 C N F F F N N S O N O IC50 = 0.5 nM 450.49 Cc1c(Cn2c(C3CC3)nc(=O)c3sc(N4CCOCC4)nc32)cccc1C(F)(F)F Homo sapiens CHEMBL2090368 single protein format
CHEMBL4166144 OBDepict CH 3 O N HN S O O F F O N H 3 C N NH 2 O IC50 = 0.53 nM 557.58 COc1ncc(-c2cc(OC3CCOCC3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F Homo sapiens CHEMBL4150388 single protein format
CHEMBL2206921 OBDepict Cl N N H N N CH 3 N H 2 N N N H Cl S N O O H 3 C CH 3 Ki = 0.6 nM 470.35 Cc1nc(N)nc(-c2cc(Cl)cnc2Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)n1 Homo sapiens CHEMBL2214051 cell-based format
CHEMBL2018219 OBDepict H 3 C N F F F CH 3 N N N N O O IC50 = 0.6 nM 407.4 Cc1c(Cn2c(C)nn3c(=O)cc(N4CCOCC4)nc23)cccc1C(F)(F)F Homo sapiens CHEMBL2019373 single protein format
CHEMBL2089106 OBDepict CH 3 N F F F H 3 C N N S O N O IC50 = 0.6 nM 424.45 Cc1c(Cn2c(C)nc(=O)c3sc(N4CCOCC4)nc32)cccc1C(F)(F)F Homo sapiens CHEMBL2090368 single protein format
CHEMBL4739883 OBDepict CH 3 O N HN S O O F F N H 3 C N O N H 3 C IC50 = 0.67 nM 593.66 COc1ncc(-c2ccc3nccc(/C(C)=C/C(=O)N4CCN(C)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F Homo sapiens CHEMBL4737604 single protein format
CHEMBL1910998 OBDepict F F N N N N OH N N N O O IC50 = 0.68 nM 433.42 Oc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1 Homo sapiens CHEMBL1914128 cell-based format
CHEMBL3962159 OBDepict N NH 2 N N N H H 2 N CH 3 H N N O N Cl H 2 N IC50 = 0.7 nM 448.88 C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(N)nc1 Homo sapiens CHEMBL3887755 single protein format
CHEMBL3957355 OBDepict N NH 2 N N N H NH 2 H N N CH 3 O N Cl NH 2 IC50 = 0.8 nM 462.91 CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(N)nc1 Homo sapiens CHEMBL3887755 single protein format
CHEMBL1911122 OBDepict F F N N N N OH N N O O IC50 = 0.81 nM 432.43 Oc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCOCC2)n1 Homo sapiens CHEMBL1914128 cell-based format
CHEMBL3188551 OBDepict OH O N N N CH 3 O CH 3 F F F IC50 = 0.89 nM 433.43 Cc1c(Cn2c(C)nc3c(C(=O)O)cc(N4CCOCC4)cc32)cccc1C(F)(F)F Homo sapiens CHEMBL3395876 single protein format
CHEMBL2381265 OBDepict CH 3 N H 3 C N N S N O N H IC50 = 0.9 nM 367.48 CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3CNC3)ccc1-2 Homo sapiens CHEMBL2383018 cell-based format
CHEMBL1911118 OBDepict CH 3 N H O N CH 3 N N N F F N N N O O IC50 = 0.91 nM 476.49 CNc1cc(OC)c2nc(C(F)F)n(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)c2c1 Homo sapiens CHEMBL1914128 cell-based format
CHEMBL3656387 OBDepict CH 3 N H 3 C HN O NH H 3 C O O N F O IC50 = 1.0 nM 482.56 CC(Nc1cccc(F)c1)c1cc(C(=O)NCCN(C)C)cc2c(=O)cc(N3CCOCC3)oc12 Homo sapiens CHEMBL3705076 single protein format
CHEMBL4532985 OBDepict O N H N N N N IC50 = 1.0 nM 291.31 O=C(NC1=Nc2ccccc2C2=NCCN12)c1cccnc1 Homo sapiens CHEMBL4393773 single protein format
CHEMBL3899696 OBDepict N NH 2 N N N H NH 2 H 3 C H N N O Cl N Cl NH 2 IC50 = 1.0 nM 483.32 C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1ccc(N)nc1 Homo sapiens CHEMBL3887755 single protein format
CHEMBL1957870 OBDepict H 3 C N F F F N N N O O H H 3 C IC50 = 1.0 nM 406.41 Cc1c(Cn2ccn3c(=O)cc(N4CCO[C@H](C)C4)nc23)cccc1C(F)(F)F Homo sapiens CHEMBL1958672 single protein format
CHEMBL2018360 OBDepict CH 3 S N N N N O CH 3 N F F F O CH 3 IC50 = 1.0 nM 453.49 CSc1nn2c(=O)cc(N3CCOC(C)C3)nc2n1Cc1cccc(C(F)(F)F)c1C Homo sapiens CHEMBL2019373 single protein format
CHEMBL1957857 OBDepict H 3 C N F F F CH 3 N N N O O IC50 = 1.0 nM 406.41 Cc1c(Cn2c(C)cn3c(=O)cc(N4CCOCC4)nc23)cccc1C(F)(F)F Homo sapiens CHEMBL1958672 single protein format
CHEMBL3112850 OBDepict O N N N H Br N O O IC50 = 1.0 nM 419.28 O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(Br)cccc21 Homo sapiens CHEMBL3119743 cell-based format
CHEMBL4174909 OBDepict CH 3 O N HN S O O F F O N CH 3 N H O N H CH 3 IC50 = 1.1 nM 557.58 CNc1nc(C)c2cc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4F)c3)cc(O[C@@H]3CCOC3)c2n1 Homo sapiens CHEMBL4150388 single protein format
CHEMBL4060768 OBDepict F F N H O N O N O O O IC50 = 1.1 nM 525.55 O=C(c1cc([C@H]2CCCN2c2cc(F)cc(F)c2)c2oc(N3CCOCC3)cc(=O)c2c1)N1CCOCC1 Homo sapiens CHEMBL4015043 assay format
CHEMBL3905146 OBDepict HO N H 3 C N N HN O S H 3 C O O F F IC50 = 1.1 nM 590.65 COc1ncc(-c2ccc3nccc(-c4ccc(CN(C)CCO)cc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F Homo sapiens CHEMBL3867035 single protein format
CHEMBL4078233 OBDepict F N H O N O N O H 3 C CH 3 O IC50 = 1.2 nM 465.53 CN(C)C(=O)c1cc([C@H]2CCCN2c2cccc(F)c2)c2oc(N3CCOCC3)cc(=O)c2c1 Homo sapiens CHEMBL4015043 assay format
CHEMBL4226082 OBDepict CH 3 O N N H S O O F F S N CH 3 N H 2 N IC50 = 1.2 nM 463.49 COc1ncc(-c2cc3c(C)nc(N)nc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F Homo sapiens CHEMBL4220373 assay format
CHEMBL1236962 OBDepict CH 3 O N HN S O O F F N N N IC50 = 1.2 nM 505.51 COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F Homo sapiens CHEMBL3768549 single protein format
CHEMBL4166594 OBDepict CH 3 O N HN S O O F F O N CH 3 N N H O CH 3 IC50 = 1.2 nM 571.61 CNc1nc(C)c2cc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4F)c3)cc(OC3CCOCC3)c2n1 Homo sapiens CHEMBL4150388 single protein format
CHEMBL4094771 OBDepict F F N O N O N O CH 3 H 3 C O IC50 = 1.2 nM 483.52 CN(C)C(=O)c1cc(C2CCCN2c2cc(F)cc(F)c2)c2oc(N3CCOCC3)cc(=O)c2c1 Homo sapiens CHEMBL4015043 assay format
CHEMBL4174132 OBDepict H 3 C NH O N S H 3 C N N H Cl S O O IC50 = 1.28 nM 422.92 CC(=O)Nc1nc(C)c(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)s1 Homo sapiens CHEMBL4156825 single protein format
CHEMBL2018221 OBDepict CH 3 N F F F N N N N O O IC50 = 1.3 nM 433.43 Cc1c(Cn2c(C3CC3)nn3c(=O)cc(N4CCOCC4)nc23)cccc1C(F)(F)F Homo sapiens CHEMBL2019373 single protein format
CHEMBL2018222 OBDepict CH 3 O N N O N N N H 3 C CH 3 F F F IC50 = 1.3 nM 421.42 Cc1c(Cn2c(C)nn3c(=O)cc(N4CCOC(C)C4)nc23)cccc1C(F)(F)F Homo sapiens CHEMBL2019373 single protein format
CHEMBL2018214 OBDepict Cl Cl N CH 3 N N N N O O IC50 = 1.3 nM 394.26 Cc1nn2c(=O)cc(N3CCOCC3)nc2n1Cc1cccc(Cl)c1Cl Homo sapiens CHEMBL2019373 single protein format
CHEMBL1911117 OBDepict H 3 C O N H 2 N N F F N N N N N O O IC50 = 1.4 nM 462.46 COc1cc(N)cc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1 Homo sapiens CHEMBL1914128 cell-based format
CHEMBL4101005 OBDepict F F N H O N O N O O IC50 = 1.4 nM 481.5 O=C(c1cc([C@H]2CCCN2c2cc(F)cc(F)c2)c2oc(N3CCOCC3)cc(=O)c2c1)N1CC1 Homo sapiens CHEMBL4015043 assay format
CHEMBL4872728 OBDepict Cl N HN S O O N N N N O IC50 = 1.54 nM 559.05 O=S(=O)(Nc1cc(-c2ccc3nncc(-c4ccc(N5CCOCC5)nc4)c3c2)cnc1Cl)c1ccccc1 Homo sapiens CHEMBL4824999 single protein format
CHEMBL3639435 OBDepict CH 3 O O N HN N N HO H N O CH 3 CH 3 N IC50 = 1.6 nM 438.49 COc1c(OC[C@H](O)CN(C)C)ccc2c1N=C(NC(=O)c1cccnc1)N1CCN=C21 Homo sapiens CHEMBL3705593 assay format
CHEMBL2018215 OBDepict CH 3 S N N N N O Cl N Cl O IC50 = 1.6 nM 426.33 CSc1nn2c(=O)cc(N3CCOCC3)nc2n1Cc1cccc(Cl)c1Cl Homo sapiens CHEMBL2019373 single protein format
CHEMBL4864419 OBDepict Cl N HN S O O N N N IC50 = 1.7 nM 473.95 O=S(=O)(Nc1cc(-c2ccc3nncc(-c4ccncc4)c3c2)cnc1Cl)c1ccccc1 Homo sapiens CHEMBL4824999 single protein format
CHEMBL3968925 OBDepict H 3 C O N HN S O O F F N N N N IC50 = 1.7 nM 584.61 COc1ncc(-c2ccc3nccc(-c4ccc(Cn5cncn5)cc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F Homo sapiens CHEMBL3867035 single protein format
CHEMBL2381375 OBDepict H 3 C N CH 3 N N S N O N N S O O CH 3 IC50 = 1.8 nM 470.58 CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(-c3cnn(CS(C)(=O)=O)c3)ccc1-2 Homo sapiens CHEMBL2383018 cell-based format
CHEMBL2381382 OBDepict HO N N O N S N N N H 2 N H 3 C CH 3 IC50 = 1.8 nM 437.53 CC(C)n1nc(N)nc1-c1nc2c(s1)CCOc1cc(-c3cnn(CCO)c3)ccc1-2 Homo sapiens CHEMBL2383018 cell-based format
CHEMBL3954098 OBDepict N NH 2 N N N H NH 2 H 3 C H N N N O Cl N Cl NH 2 IC50 = 1.8 nM 484.31 C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cnc(N)cn1 Homo sapiens CHEMBL3889293 single protein format
CHEMBL3963018 OBDepict CH 3 O N HN S O O F F N N CH 3 H 3 C IC50 = 1.8 nM 560.63 COc1ncc(-c2ccc3nccc(-c4ccc(CN(C)C)cc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F Homo sapiens CHEMBL3867035 single protein format
CHEMBL3644667 OBDepict CH 3 O O N N H N N HO H N O N N IC50 = 1.99 nM 465.51 COc1c(OC[C@H](O)CN2CCCC2)ccc2c1N=C(NC(=O)c1cncnc1)N1CCN=C21 Homo sapiens CHEMBL3705593 assay format
CHEMBL1615189 OBDepict H 3 C NH O N S N N H Cl S O O F Ki = 2.0 nM 476.94 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2s1 Homo sapiens CHEMBL1775867 cell-based format
CHEMBL2165007 OBDepict CH 3 O N N H N N N H 3 C N NH 2 S O O CH 3 Ki = 2.0 nM 477.55 COc1ccc(Nc2ncc(Cc3ccc(S(C)(=O)=O)cc3)cc2-c2nc(C)nc(N)n2)cn1 Homo sapiens CHEMBL2166656 cell-based format
CHEMBL1957858 OBDepict CH 3 N N N O CH 3 N F F F O IC50 = 2.0 nM 420.44 CCc1cn2c(=O)cc(N3CCOCC3)nc2n1Cc1cccc(C(F)(F)F)c1C Homo sapiens CHEMBL1958672 single protein format
CHEMBL1957856 OBDepict Cl Cl N CH 3 N N N O O IC50 = 2.0 nM 393.27 Cc1cn2c(=O)cc(N3CCOCC3)nc2n1Cc1cccc(Cl)c1Cl Homo sapiens CHEMBL1958672 single protein format
CHEMBL2151926 OBDepict O HN N N H N O Cl F O IC50 = 2.0 nM 366.78 O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL2156789 single protein format
CHEMBL3656386 OBDepict H 3 C N CH 3 NH O HN CH 3 O O N F O IC50 = 2.0 nM 482.56 CC(Nc1ccc(F)cc1)c1cc(C(=O)NCCN(C)C)cc2c(=O)cc(N3CCOCC3)oc12 Homo sapiens CHEMBL3705076 single protein format
CHEMBL3911944 OBDepict N H 2 N N N N H H 2 N H N N O N Cl NH 2 IC50 = 2.0 nM 474.92 N#Cc1c(N)nc(N)nc1N[C@H](c1nc2cccc(Cl)c2c(=O)n1-c1ccc(N)nc1)C1CC1 Homo sapiens CHEMBL3887755 single protein format
CHEMBL4208385 OBDepict F S HN O O Cl N N N H N IC50 = 2.0 nM 479.92 O=S(=O)(Nc1cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)cnc1Cl)c1ccc(F)cc1 Homo sapiens CHEMBL4193873 single protein format
CHEMBL3319646 OBDepict CH 3 N H 3 C HN O N NH H 3 C N O N F O IC50 = 2.0 nM 482.56 CC(Nc1cccc(F)c1)c1cc(C(=O)NCCN(C)C)cn2c(=O)cc(N3CCOCC3)nc12 Homo sapiens CHEMBL3366862 cell-based format
CHEMBL4217725 OBDepict Cl N HN S O O N N H N IC50 = 2.0 nM 461.93 O=S(=O)(Nc1cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)cnc1Cl)c1ccccc1 Homo sapiens CHEMBL4193873 single protein format
CHEMBL4067312 OBDepict OH N CH 3 O N O O N F F O IC50 = 2.0 nM 513.54 CN(CCO)C(=O)c1cc(C2CCCN2c2cc(F)cc(F)c2)c2oc(N3CCOCC3)cc(=O)c2c1 Homo sapiens CHEMBL4015043 assay format
CHEMBL3913858 OBDepict N NH 2 N N N H H 2 N CH 3 H N N N O N Cl H 2 N IC50 = 2.0 nM 449.87 C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cnc(N)cn1 Homo sapiens CHEMBL3889293 single protein format
CHEMBL4128507 OBDepict H 3 C N CH 3 NH O N N N H H 3 C H N F F O IC50 = 2.0 nM 484.55 C[C@@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)NCCN(C)C)cc2ncc(N3CCOCC3)nc12 Homo sapiens CHEMBL4119785 cell-based format
CHEMBL4130282 OBDepict F F N H N N N O N CH 3 H 3 C O IC50 = 2.0 nM 467.52 CN(C)C(=O)c1cc([C@H]2CCCN2c2cc(F)cc(F)c2)c2nc(N3CCOCC3)cnc2c1 Homo sapiens CHEMBL4119785 cell-based format
CHEMBL2018217 OBDepict H 3 C O N N O N N N CH 3 Cl Cl IC50 = 2.0 nM 408.29 Cc1nn2c(=O)cc(N3CCOC(C)C3)nc2n1Cc1cccc(Cl)c1Cl Homo sapiens CHEMBL2019373 single protein format
CHEMBL3656388 OBDepict H 3 C N CH 3 NH O HN CH 3 O O N O IC50 = 2.0 nM 464.57 CC(Nc1ccccc1)c1cc(C(=O)NCCN(C)C)cc2c(=O)cc(N3CCOCC3)oc12 Homo sapiens CHEMBL3705076 single protein format
CHEMBL2018361 OBDepict H 3 C N F F F CH 3 N N N N O O IC50 = 2.0 nM 407.4 Cc1c(Cn2c(C)nn3c(=O)nc(N4CCOCC4)cc23)cccc1C(F)(F)F Homo sapiens CHEMBL2019373 single protein format
CHEMBL3644671 OBDepict H 3 C O O N NH N N OH H N O N IC50 = 2.02 nM 478.55 COc1c(OC[C@H](O)CN2CCCCC2)ccc2c1N=C(NC(=O)c1cccnc1)N1CCN=C21 Homo sapiens CHEMBL3705593 assay format
CHEMBL3644664 OBDepict CH 3 O O N N H N N OH H N O N IC50 = 2.22 nM 450.5 COc1c(OC[C@H](O)CN2CCC2)ccc2c1N=C(NC(=O)c1cccnc1)N1CCN=C21 Homo sapiens CHEMBL3705593 assay format
CHEMBL4082650 OBDepict CH 3 N N O O H N O N F F O IC50 = 2.3 nM 538.6 CN1CCN(C(=O)c2cc([C@H]3CCCN3c3cc(F)cc(F)c3)c3oc(N4CCOCC4)cc(=O)c3c2)CC1 Homo sapiens CHEMBL4015043 assay format
CHEMBL4871213 OBDepict Cl N HN S O O N N N N IC50 = 2.39 nM 462.92 O=S(=O)(Nc1cc(-c2ccc3nncc(-n4ccnc4)c3c2)cnc1Cl)c1ccccc1 Homo sapiens CHEMBL4824999 single protein format
CHEMBL2381376 OBDepict H 2 N N N O N S N N N CH 3 H 3 C IC50 = 2.4 nM 421.53 CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(-c3cnn(CCN)c3)ccc1-2 Homo sapiens CHEMBL2383018 cell-based format
CHEMBL2018216 OBDepict Cl Cl N N N N N O O IC50 = 2.5 nM 420.3 O=c1cc(N2CCOCC2)nc2n(Cc3cccc(Cl)c3Cl)c(C3CC3)nn12 Homo sapiens CHEMBL2019373 single protein format
CHEMBL3644665 OBDepict CH 3 O O N N H N N HO H N O N IC50 = 2.62 nM 464.53 COc1c(OC[C@H](O)CN2CCCC2)ccc2c1N=C(NC(=O)c1cccnc1)N1CCN=C21 Homo sapiens CHEMBL3705593 assay format
CHEMBL3644673 OBDepict H 3 C O O N NH N N HO H N O CH 3 N IC50 = 2.78 nM 492.58 COc1c(OC[C@H](O)CN2CCCCC2)ccc2c1N=C(NC(=O)c1cccnc1C)N1CCN=C21 Homo sapiens CHEMBL3705593 assay format
CHEMBL4090811 OBDepict F N H O N O N O O O IC50 = 2.8 nM 507.56 O=C(c1cc([C@H]2CCCN2c2cccc(F)c2)c2oc(N3CCOCC3)cc(=O)c2c1)N1CCOCC1 Homo sapiens CHEMBL4015043 assay format
CHEMBL3644648 OBDepict H 3 C O O N NH N N OH H N O N O IC50 = 2.98 nM 480.53 COc1c(OC[C@H](O)CN2CCOCC2)ccc2c1N=C(NC(=O)c1cccnc1)N1CCN=C21 Homo sapiens CHEMBL3705593 assay format
CHEMBL3644678 OBDepict CH 3 O O N N H N N HO H N O S N IC50 = 2.98 nM 484.58 COc1c(OC[C@H](O)CN2CCCCC2)ccc2c1N=C(NC(=O)c1cncs1)N1CCN=C21 Homo sapiens CHEMBL3705593 assay format
CHEMBL4780201 OBDepict OH N N N H N N N HN O S H 3 C O O F F IC50 = 2.99 nM 553.55 COc1ncc(-c2ccc3ncnc(Nc4cnn(CCO)c4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F Homo sapiens CHEMBL4667357 single protein format
CHEMBL2089104 OBDepict CH 3 N F F F N N S O N O IC50 = 3.0 nM 410.42 Cc1c(Cn2cnc(=O)c3sc(N4CCOCC4)nc32)cccc1C(F)(F)F Homo sapiens CHEMBL2090368 single protein format
CHEMBL2165052 OBDepict OH NH N N N CH 3 N NH 2 Ki = 3.0 nM 294.32 Cc1nc(N)nc(-c2cccnc2Nc2cccc(O)c2)n1 Homo sapiens CHEMBL2166656 cell-based format
CHEMBL2165030 OBDepict CH 3 O N N H N N N CH 3 N H 2 N O Ki = 3.0 nM 391.44 COc1ccc(Nc2ncc(C3=CCOCC3)cc2-c2nc(C)nc(N)n2)cn1 Homo sapiens CHEMBL2166656 cell-based format
CHEMBL1957855 OBDepict H 3 C N F F F N N N O O IC50 = 3.0 nM 392.38 Cc1c(Cn2ccn3c(=O)cc(N4CCOCC4)nc23)cccc1C(F)(F)F Homo sapiens CHEMBL1958672 single protein format
CHEMBL3112849 OBDepict O N N N H Cl N O O IC50 = 3.0 nM 374.83 O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(Cl)cccc21 Homo sapiens CHEMBL3119743 cell-based format
CHEMBL3656441 OBDepict F NH F H 3 C O HN O N O O IC50 = 3.0 nM 483.52 CC(Nc1cc(F)cc(F)c1)c1cc(C(=O)NCC2CC2)cc2c(=O)cc(N3CCOCC3)oc12 Homo sapiens CHEMBL3705076 single protein format
CHEMBL3112851 OBDepict O N N N H H 3 C N O O IC50 = 3.0 nM 354.41 Cc1cccc2c1CCN2C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1 Homo sapiens CHEMBL3119743 cell-based format
CHEMBL2064328 OBDepict CH 3 HN CH 3 O O N O IC50 = 3.0 nM 364.44 Cc1cc(C(C)Nc2ccccc2)c2oc(N3CCOCC3)cc(=O)c2c1 Homo sapiens CHEMBL2067908 cell-based format
CHEMBL1972466 OBDepict CH 3 N HN CH 3 N O N O IC50 = 3.0 nM 364.45 Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1 Homo sapiens CHEMBL2067908 cell-based format
CHEMBL3319490 OBDepict F NH F H 3 C H N N N O N O CH 3 CH 3 O IC50 = 3.0 nM 457.48 C[C@@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cn2c(=O)cc(N3CCOCC3)nc12 Homo sapiens CHEMBL3366862 cell-based format
CHEMBL1957841 OBDepict O N N N N O IC50 = 3.0 nM 360.42 O=c1cc(N2CCOCC2)nc2n(Cc3cccc4ccccc34)ccn12 Homo sapiens CHEMBL1958672 single protein format
CHEMBL2089111 OBDepict CH 3 N F F F N N S O N O IC50 = 3.0 nM 500.55 Cc1c(Cn2c(Cc3ccccc3)nc(=O)c3sc(N4CCOCC4)nc32)cccc1C(F)(F)F Homo sapiens CHEMBL2090368 single protein format
CHEMBL2089105 OBDepict H 3 C Cl N N N S O N O IC50 = 3.0 nM 376.87 Cc1c(Cl)cccc1Cn1cnc(=O)c2sc(N3CCOCC3)nc21 Homo sapiens CHEMBL2090368 single protein format
CHEMBL2151927 OBDepict CH 3 O F N H O N N H N O O IC50 = 3.0 nM 362.36 COc1cc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)ccc1F Homo sapiens CHEMBL2156789 single protein format