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O00329 | PK3CD_HUMAN | "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform" (PIK3CD)

3D structures mapped by conservation among orthologs

[ Domain: "ARM repeat" // PI3Ka ]

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[ Domain: "C2 domain" // PI3K_C2 ]

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[ Domain: "Protein kinase" // PI3_PI4_kinase ]

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[ Domain: "Ubiquitin-like" // PI3K_rbd ]

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[ Domain: "Ubiquitin-like" // PI3K_p85B ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL4468379 OBDepict H N N N N N H H 3 C H N N S O O Cl IC50 = 0.0 nM 453.92 C[C@H](Nc1ncnc2[nH]cnc12)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 Homo sapiens CHEMBL4351126 cell-based format
CHEMBL3704738 OBDepict CH 3 N N N N CH 3 H 3 C N O N N H 3 C N N H 3 C CH 3 CH 3 IC50 < 0.035 nM 529.69 Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4C4CN(C(C)C)CCN4C)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL3705837 single protein format
CHEMBL4441003 OBDepict H N N N N H N H H 3 C H S N N O O CH 3 O CH 3 IC50 = 0.04 nM 565.66 Cc1cccc2nc([C@H](C)Nc3ncnc4[nH]cc(-c5cccc(NS(C)(=O)=O)c5)c34)n(-c3ccccc3)c(=O)c12 Homo sapiens CHEMBL4351094 single protein format
CHEMBL3704739 OBDepict CH 3 N N N N CH 3 H 3 C N O N N N H 3 C N H CH 3 CH 3 CH 3 IC50 = 0.048 nM 529.69 Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4N4CCN(C)[C@H](C(C)C)C4)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL3705837 single protein format
CHEMBL4541570 OBDepict CH 3 HN N N O N N N H IC50 = 0.1 nM 382.43 CC(Nc1ncnc2[nH]cnc12)c1cc2ccccn2c(=O)c1-c1ccccc1 Homo sapiens CHEMBL4351077 single protein format
CHEMBL3403664 OBDepict N N N H NH 2 N H 3 C H N S O O H 3 C F IC50 = 0.1 nM 462.51 C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(S(C)(=O)=O)c1-c1ccccc1 Homo sapiens CHEMBL3404165 cell-based format
CHEMBL1086377 OBDepict CH 3 N N N H O S O N O O IC50 < 0.1 nM 582.73 CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c3sc4ccccc4c23)CC1 Homo sapiens CHEMBL2423424 single protein format
CHEMBL3704656 OBDepict H 3 C N N N O N N N N N CH 3 F F F IC50 = 0.102 nM 516.57 Cc1nc(-c2cn3c(n2)-c2cnc(N4CCCC4C4CCCCN4C)cc2OCC3)n(CC(F)(F)F)n1 Homo sapiens CHEMBL3705837 single protein format
CHEMBL2387080 OBDepict CH 3 N N N CH 3 H 3 C N N O N N H 3 C H 3 C O H 2 N Ki = 0.12 nM 460.54 Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL2388233 single protein format
CHEMBL2331664 OBDepict O N OH H 3 C H N O N H 3 C N N N CH 3 Ki = 0.122 nM 446.51 Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)[C@H](C)O)CC2)c(=O)n4C)cn1 Homo sapiens CHEMBL2346293 single protein format
CHEMBL3704723 OBDepict H 3 C N N N N H 3 C CH 3 N O N H N H 3 C CH 3 IC50 = 0.16 nM 489.67 Cc1nc(-c2cn3c(n2)-c2ccc(N4CCC4[C@@H]4CCCN(C(C)C)C4)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL3705837 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 = 0.18 nM 557.58 COc1ncc(-c2cc(OC3CCOCC3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F Homo sapiens CHEMBL4150390 single protein format
CHEMBL4450613 OBDepict OH HN O N O N N H H CH 3 N NH 2 N N NH 2 IC50 = 0.2 nM 575.63 CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCc3ccc(C(=O)NO)cc3)c2c(=O)n1-c1ccccc1 Homo sapiens CHEMBL4405141 single protein format
CHEMBL4449576 OBDepict N N NH H 2 N N H 3 C H N N O F NH IC50 = 0.2 nM 496.55 C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(C(=O)N2CCNCC2)c1-c1ccccc1 Homo sapiens CHEMBL4428708 cell-based format
CHEMBL4443378 OBDepict CH 3 N H H N N N O NH 2 N N CH 3 NH O OH IC50 = 0.2 nM 540.63 CC[C@H](Nc1nc(N)nc(C)c1C#N)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 Homo sapiens CHEMBL4405141 single protein format
CHEMBL4451623 OBDepict H 3 C N H H N N N O N N N H HN O OH IC50 = 0.2 nM 526.6 CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CCCCCC(=O)NO)c2c(=O)n1-c1ccccc1 Homo sapiens CHEMBL4405141 single protein format
CHEMBL3895194 OBDepict H N N N N H NH N H 3 C H S H N N O O CH 3 N O CH 3 IC50 = 0.2 nM 593.67 Cc1ccn2nc([C@H](C)Nc3ncnc4[nH]cc(-c5cc(NS(C)(=O)=O)c6cc[nH]c6c5)c34)n(-c3ccccc3)c(=O)c12 Homo sapiens CHEMBL3888730 cell-based format
CHEMBL3979599 OBDepict HO N N N H N HN N H 3 C H N N N O CH 3 IC50 = 0.2 nM 543.59 Cc1ccn2nc([C@H](C)Nc3ncnc4[nH]cc(-c5ccn(-c6cccc(O)c6)n5)c34)n(-c3ccccc3)c(=O)c12 Homo sapiens CHEMBL3888730 cell-based format
CHEMBL3969288 OBDepict H N N N NH N H 3 C H N N N H N O H 3 C IC50 = 0.2 nM 501.55 Cc1ccn2nc([C@H](C)Nc3ncnc4[nH]cc(-c5cnc6[nH]ccc6c5)c34)n(-c3ccccc3)c(=O)c12 Homo sapiens CHEMBL3888730 cell-based format
CHEMBL3985740 OBDepict OH N N N H N HN N CH 3 H N N N O CH 3 IC50 = 0.2 nM 509.57 Cc1ccn2nc([C@H](C)Nc3ncnc4[nH]cc(-c5cnn(CCCO)c5)c34)n(-c3ccccc3)c(=O)c12 Homo sapiens CHEMBL3888730 cell-based format
CHEMBL3947405 OBDepict H N N N N HN N CH 3 H N N F F F N O CH 3 IC50 = 0.2 nM 533.52 Cc1ccn2nc([C@H](C)Nc3ncnc4[nH]cc(-c5ccn(CC(F)(F)F)n5)c34)n(-c3ccccc3)c(=O)c12 Homo sapiens CHEMBL3888730 cell-based format
CHEMBL4470131 OBDepict N N N H H 2 N N H 3 C H N N Cl IC50 = 0.2 nM 389.85 C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2cc1-c1ccccc1 Homo sapiens CHEMBL4351077 single protein format
CHEMBL3967455 OBDepict OH O HN S O O O CH 3 H 2 N N N HN H 3 C H N N N O CH 3 IC50 = 0.2 nM 590.62 Cc1ccn2nc([C@H](C)Nc3ncnc(N)c3C(=O)Oc3cc(O)cc(NS(C)(=O)=O)c3)n(-c3ccccc3)c(=O)c12 Homo sapiens CHEMBL3888730 cell-based format
CHEMBL2216895 OBDepict N N N H H 2 N N H 3 C H N N F Ki = 0.2 nM 373.4 C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccccc1 Homo sapiens CHEMBL2217262 single protein format
CHEMBL4871213 OBDepict Cl N HN S O O N N N N IC50 = 0.21 nM 462.92 O=S(=O)(Nc1cc(-c2ccc3nncc(-n4ccnc4)c3c2)cnc1Cl)c1ccccc1 Homo sapiens CHEMBL4824997 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 = 0.23 nM 543.55 COc1ncc(-c2cc(O[C@@H]3CCOC3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F Homo sapiens CHEMBL4150390 single protein format
CHEMBL4872728 OBDepict Cl N HN S O O N N N N O IC50 = 0.28 nM 559.05 O=S(=O)(Nc1cc(-c2ccc3nncc(-c4ccc(N5CCOCC5)nc4)c3c2)cnc1Cl)c1ccccc1 Homo sapiens CHEMBL4824997 single protein format
CHEMBL3704725 OBDepict CH 3 N H 3 C N O N N N N N CH 3 H 3 C CH 3 IC50 = 0.288 nM 435.58 Cc1nc(-c2cn3c(n2)-c2ccc(N4CCCC4CN(C)C)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL3705837 single protein format
CHEMBL4061320 OBDepict N N O D N H 3 C H 3 C O D D D D D N Cl N NH 2 IC50 = 0.3 nM 416.9 [2H]C([2H])([2H])C1([2H])N(c2cc(-c3cc(Cl)c4c(N)ncnn34)ccc2C#N)C(=O)C(C)(C)OC1([2H])[2H] Homo sapiens CHEMBL4024906 single protein format
CHEMBL3967037 OBDepict NH 2 N H O HO N H N NH N H 3 C H N N N O H 3 C IC50 = 0.3 nM 535.57 Cc1ccn2nc([C@H](C)Nc3ncnc4[nH]cc(-c5cc(O)cc(NC(N)=O)c5)c34)n(-c3ccccc3)c(=O)c12 Homo sapiens CHEMBL3888730 cell-based format
CHEMBL3892452 OBDepict OH CH 3 CH 3 N N N H N NH N H 3 C H N N N O H 3 C IC50 = 0.3 nM 537.63 Cc1ccn2nc([C@H](C)Nc3ncnc4[nH]cc(-c5ccn(CC(C)(C)CO)n5)c34)n(-c3ccccc3)c(=O)c12 Homo sapiens CHEMBL3888730 cell-based format
CHEMBL3917021 OBDepict H N N N NH H 3 C H N N N O H 3 C IC50 = 0.3 nM 485.55 Cc1ccn2nc([C@H](C)Nc3ncnc4[nH]cc(C#Cc5ccccc5)c34)n(-c3ccccc3)c(=O)c12 Homo sapiens CHEMBL3888730 cell-based format
CHEMBL4080090 OBDepict CH 3 H O N H 3 C H 3 C O N N N Cl N NH 2 IC50 = 0.3 nM 424.89 CC[C@@H]1CN(c2cc(-c3cc(Cl)c4c(N)ncnn34)ccc2C#N)C(=O)C(C)(C)O1 Homo sapiens CHEMBL4024906 single protein format
CHEMBL4068514 OBDepict CH 3 N O CH 3 H 3 C N O N N N N H 2 N N O IC50 = 0.3 nM 528.62 CC(=O)N1CCN(c2cccc(-c3cc(-c4ccnn4C4CCOCC4)c4c(N)ncnn34)c2)C(=O)C1(C)C Homo sapiens CHEMBL3996844 single protein format
CHEMBL3704735 OBDepict H 3 C N N N N H 3 C CH 3 N O N N H N H 3 C H 3 C IC50 = 0.311 nM 500.65 Cc1nc(-c2cn3c(n2)-c2ccc(-c4cn[nH]c4C4CCCN(C(C)C)C4)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL3705837 single protein format
CHEMBL3704710 OBDepict CH 3 N N N CH 3 H 3 C N N O N H N IC50 = 0.313 nM 461.61 Cc1nc(-c2cn3c(n2)-c2ccc(N4CCC[C@H]4CN4CCCC4)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL3705837 single protein format
CHEMBL3704730 OBDepict HO N CH 3 CH 3 N N F O N N N N N H 3 C CH 3 H 3 C IC50 = 0.314 nM 548.67 Cc1nc(-c2cn3c(n2)-c2cc(-c4ccnn4C4CCCN(C(C)(C)CO)C4)c(F)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL3705837 single protein format
CHEMBL4878126 OBDepict H 3 C N N N N N H Cl S O O IC50 = 0.32 nM 494.02 CC1CCN(c2cnnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccccc5)c4)cc23)CC1 Homo sapiens CHEMBL4824997 single protein format
CHEMBL3704682 OBDepict H 3 C N N N N H 3 C CH 3 N O N N CH 3 N H 3 C H 3 C IC50 = 0.324 nM 514.68 Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4C4CCCN(C(C)C)C4)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL3705837 single protein format
CHEMBL4434674 OBDepict CH 3 O N NH S O O H 3 C N N O H N N H H 3 C O H CH 3 IC50 = 0.33 nM 512.59 COc1ncc(-c2cc(-c3ncc(CN4C[C@H](C)O[C@H](C)C4)o3)c3cn[nH]c3c2)cc1NS(C)(=O)=O Homo sapiens CHEMBL4387673 single protein format
CHEMBL3704706 OBDepict CH 3 N N O N N N N N CH 3 H 3 C CH 3 IC50 = 0.335 nM 461.61 Cc1nc(-c2cn3c(n2)-c2ccc(N4CCCC45CCCN(C)C5)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL3705837 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 = 0.35 nM 571.61 CNc1nc(C)c2cc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4F)c3)cc(OC3CCOCC3)c2n1 Homo sapiens CHEMBL4150390 single protein format
CHEMBL4864419 OBDepict Cl N HN S O O N N N IC50 = 0.36 nM 473.95 O=S(=O)(Nc1cc(-c2ccc3nncc(-c4ccncc4)c3c2)cnc1Cl)c1ccccc1 Homo sapiens CHEMBL4824997 single protein 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 = 0.37 nM 557.58 CNc1nc(C)c2cc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4F)c3)cc(O[C@@H]3CCOC3)c2n1 Homo sapiens CHEMBL4150390 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 = 0.4 nM 470.35 Cc1nc(N)nc(-c2cc(Cl)cnc2Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)n1 Homo sapiens CHEMBL2211630 cell-based format
CHEMBL3910737 OBDepict CH 3 N CH 3 N N N H N NH N H 3 C H N N N O H 3 C IC50 = 0.4 nM 588.72 Cc1ccn2nc([C@H](C)Nc3ncnc4[nH]cc(-c5ccnc(N6CCC(N(C)C)CC6)c5)c34)n(-c3ccccc3)c(=O)c12 Homo sapiens CHEMBL3888730 cell-based format
CHEMBL3949490 OBDepict CH 3 HN N S N N H N HN N CH 3 H N N N O CH 3 IC50 = 0.4 nM 512.6 CCNc1nnc(-c2c[nH]c3ncnc(N[C@@H](C)c4nn5ccc(C)c5c(=O)n4-c4ccccc4)c23)s1 Homo sapiens CHEMBL3888730 cell-based format
CHEMBL4090297 OBDepict CH 3 H N O O H 3 C CH 3 N N N F F F N H 2 N IC50 = 0.4 nM 458.44 CC[C@H]1COC(C)(C)C(=O)N1c1cc(-c2cc(C(F)(F)F)c3c(N)ncnn23)ccc1C#N Homo sapiens CHEMBL4024906 single protein format
CHEMBL4097187 OBDepict N N O D D N H 3 C CH 3 O D D N Cl N H 2 N IC50 = 0.4 nM 400.86 [2H]C1([2H])OC(C)(C)C(=O)N(c2cc(-c3cc(Cl)c4c(N)ncnn34)ccc2C#N)C1([2H])[2H] Homo sapiens CHEMBL4024906 single protein format
CHEMBL3912595 OBDepict F O F N N NH NH 2 N CH 3 H N N N O H 3 C IC50 = 0.4 nM 504.5 Cc1ccn2nc([C@H](C)Nc3ncnc(N)c3-c3cncc(OC(F)F)c3)n(-c3ccccc3)c(=O)c12 Homo sapiens CHEMBL3888730 cell-based format
CHEMBL3908006 OBDepict N NH 2 N N N H H 2 N H 3 C H N N O N CH 3 IC50 = 0.4 nM 413.45 Cc1cccc2nc([C@H](C)Nc3nc(N)nc(N)c3C#N)n(-c3cccnc3)c(=O)c12 Homo sapiens CHEMBL3887754 single protein format
CHEMBL3976670 OBDepict CH 3 O N N H N NH N H 3 C H N N N O H 3 C IC50 = 0.4 nM 516.57 COc1cc(C#N)cc(-c2c[nH]c3ncnc(N[C@@H](C)c4nn5ccc(C)c5c(=O)n4-c4ccccc4)c23)c1 Homo sapiens CHEMBL3888730 cell-based format
CHEMBL3915848 OBDepict N NH 2 N N N H NH 2 H 3 C H N N O F N Cl IC50 = 0.4 nM 451.85 C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccnc1 Homo sapiens CHEMBL3887754 single protein format
CHEMBL3908163 OBDepict OH F N H N NH N H 3 C H N N N O H 3 C IC50 = 0.4 nM 509.55 Cc1ccn2nc([C@H](C)Nc3ncnc4[nH]cc(Cc5cc(O)cc(F)c5)c34)n(-c3ccccc3)c(=O)c12 Homo sapiens CHEMBL3888730 cell-based format
CHEMBL1762790 OBDepict HO HO N H N N N N H 3 C N NH 2 IC50 = 0.4 nM 349.35 Cc1nc(N)nc(-n2c(Nc3cc(O)cc(O)c3)nc3ccccc32)n1 Homo sapiens CHEMBL1763564 single protein format
CHEMBL4860613 OBDepict H 3 C O N N N N H Cl S O O IC50 = 0.4 nM 440.91 CCOc1cnnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)cc12 Homo sapiens CHEMBL4824997 single protein format
CHEMBL4060977 OBDepict CH 3 H N O O H 3 C CH 3 N N N Cl N H 2 N IC50 = 0.4 nM 424.89 CC[C@H]1COC(C)(C)C(=O)N1c1cc(-c2cc(Cl)c3c(N)ncnn23)ccc1C#N Homo sapiens CHEMBL4024906 single protein format
CHEMBL4853440 OBDepict Cl N HN S O O N N N O IC50 = 0.4 nM 558.06 O=S(=O)(Nc1cc(-c2ccc3nncc(-c4ccc(N5CCOCC5)cc4)c3c2)cnc1Cl)c1ccccc1 Homo sapiens CHEMBL4824997 single protein format
CHEMBL3972794 OBDepict H 3 C N O N N H N HN N CH 3 H N N N O CH 3 IC50 = 0.4 nM 543.59 Cc1nnc(-c2cccc(-c3c[nH]c4ncnc(N[C@@H](C)c5nn6ccc(C)c6c(=O)n5-c5ccccc5)c34)c2)o1 Homo sapiens CHEMBL3888730 cell-based format
CHEMBL3704711 OBDepict CH 3 N N N CH 3 H 3 C N N O N H N IC50 = 0.416 nM 461.61 Cc1nc(-c2cn3c(n2)-c2ccc(N4CCC[C@@H]4CN4CCCC4)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL3705837 single protein format
CHEMBL3704707 OBDepict H 3 C N N N N H 3 C CH 3 N O F N N N CH 3 H 3 C IC50 = 0.44 nM 518.64 Cc1nc(-c2cn3c(n2)-c2cc(-c4ccnn4C4CCCN(C(C)C)C4)c(F)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL3705837 single protein format
CHEMBL3704662 OBDepict H 3 C O N O CH 3 CH 3 N N N N N CH 3 H 3 C IC50 = 0.442 nM 464.61 CC(Oc1ccc2c(c1)OCCn1cc(-c3ncnn3C(C)C)nc1-2)C1CCN(C(C)C)CC1 Homo sapiens CHEMBL3705837 single protein format
CHEMBL3704663 OBDepict HO N CH 3 H 3 C N CH 3 N O N N N N N H 3 C CH 3 H 3 C IC50 = 0.445 nM 544.7 Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4C4CCCN(C(C)(C)CO)C4)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL3705837 single protein format
CHEMBL2216902 OBDepict H 3 C CH 3 N N N N N N N CH 3 O O N S O O Ki = 0.46 nM 580.72 CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CN(C4CCS(=O)(=O)CC4)C3)n(C)c2n1 Homo sapiens CHEMBL2217262 single protein format
CHEMBL3704698 OBDepict CH 3 N N N CH 3 H 3 C N N O H 3 C N H 3 C H N CH 3 H 3 C CH 3 IC50 = 0.479 nM 491.68 Cc1nc(-c2cn3c(n2)-c2cc([C@@H](C)N4CCN(C(C)(C)C)CC4)c(C)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL3705837 single protein format
CHEMBL2165506 OBDepict F N N N H N S N O N CH 3 CH 3 O NH 2 IC50 = 0.48 nM 537.67 CC(C)(C(N)=O)N1CCN(Cc2cc3nc(-c4cc(F)cc5[nH]ccc45)nc(N4CCOCC4)c3s2)CC1 Homo sapiens CHEMBL2167812 single protein format
CHEMBL4780201 OBDepict OH N N N H N N N HN O S H 3 C O O F F IC50 = 0.48 nM 553.55 COc1ncc(-c2ccc3ncnc(Nc4cnn(CCO)c4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F Homo sapiens CHEMBL4667356 single protein format
CHEMBL4100063 OBDepict CH 3 N O N N N N N N H 2 N N O IC50 = 0.5 nM 563.67 CC(=O)N1CCN(c2cccc(-c3cc(-c4ccnn4C4CCOCC4)c4c(N)ncnn34)c2)C(c2cccnc2)C1 Homo sapiens CHEMBL3996844 single protein format
CHEMBL3959322 OBDepict NH 2 N N N H N CH 3 H N N F F F N O H 3 C IC50 = 0.5 nM 506.49 Cc1ccn2nc([C@H](C)Nc3ncnc(N)c3-c3cncc(C(F)(F)F)c3)n(-c3ccccc3)c(=O)c12 Homo sapiens CHEMBL3888730 cell-based format
CHEMBL1213118 OBDepict CH 3 N N N N N N N NH 2 S N NH 2 IC50 = 0.5 nM 522.64 CN1CCN(c2nc3ccccc3cc2Cn2nc(-c3ccc4nc(N)sc4c3)c3c(N)ncnc32)CC1 Homo sapiens CHEMBL1216943 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 = 0.5 nM 483.32 C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1ccc(N)nc1 Homo sapiens CHEMBL3887754 single protein format
CHEMBL4089489 OBDepict N N O D N CH 3 CH 3 O D D D D D N F F F N H 2 N IC50 = 0.5 nM 450.45 [2H]C([2H])([2H])C1([2H])N(c2cc(-c3cc(C(F)(F)F)c4c(N)ncnn34)ccc2C#N)C(=O)C(C)(C)OC1([2H])[2H] Homo sapiens CHEMBL4024906 single protein format
CHEMBL2216892 OBDepict N N N H NH 2 N CH 3 H N N H F S O O CH 3 IC50 = 0.5 nM 505.58 C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2c(NCCS(C)(=O)=O)c1-c1ccccc1 Homo sapiens CHEMBL3404165 cell-based format
CHEMBL2216889 OBDepict Cl N N S NH H 3 C H N N N N H IC50 = 0.5 nM 407.89 C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2nc1-c1cscn1 Homo sapiens CHEMBL2217314 cell-based format
CHEMBL2381379 OBDepict H 3 C OH CH 3 N N O N S N N N F F F IC50 < 0.5 nM 490.51 CC(C)(O)Cn1cc(-c2ccc3c(c2)OCCc2sc(-c4ncnn4CC(F)(F)F)nc2-3)cn1 Homo sapiens CHEMBL2383017 cell-based format
CHEMBL2381265 OBDepict CH 3 N H 3 C N N S N O N H IC50 < 0.5 nM 367.48 CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3CNC3)ccc1-2 Homo sapiens CHEMBL2383017 cell-based format
CHEMBL2381269 OBDepict H N N O N S N N N CH 3 H 3 C IC50 < 0.5 nM 378.46 CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(-c3cn[nH]c3)ccc1-2 Homo sapiens CHEMBL2383017 cell-based format
CHEMBL4873442 OBDepict HO F O N H O H N O F F IC50 = 0.51 nM 446.43 O=C1NCc2c1cc(O[C@@H]1CCN(C(=O)C3CC(F)(F)C3)C1)cc2-c1cc(O)cc(F)c1 Homo sapiens CHEMBL4821970 single protein format
CHEMBL3704671 OBDepict CH 3 N N N N CH 3 H 3 C N O N H N CH 3 H 3 C IC50 = 0.51 nM 503.7 Cc1nc(-c2cn3c(n2)-c2ccc(N4CCC[C@H]4C4CCN(C(C)C)CC4)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL3705837 single protein format
CHEMBL3704702 OBDepict CH 3 N N O N N N N N H 3 C CH 3 H 3 C IC50 = 0.52 nM 489.67 CCN1CCC(C2CCCN2c2ccc3c(c2)OCCn2cc(-c4nc(C)nn4C(C)C)nc2-3)CC1 Homo sapiens CHEMBL3705837 single protein format
CHEMBL3704689 OBDepict CH 3 N N O N N N N N CH 3 H 3 C H 3 C IC50 = 0.529 nM 461.61 Cc1nc(-c2cn3c(n2)-c2ccc(N4CCC4C4CCN(C)CC4)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL3705837 single protein format
CHEMBL4847971 OBDepict CH 3 O N HN S O O H 3 C O HN O H N O IC50 = 0.54 nM 486.55 COc1ncc(-c2cc(O[C@@H]3CCN(C(=O)C4CC4)C3)cc3c2CNC3=O)cc1NS(C)(=O)=O Homo sapiens CHEMBL4821970 single protein format
CHEMBL3704658 OBDepict H 3 C N N N O N N N N N H 3 C CH 3 IC50 = 0.541 nM 462.6 CC(C)n1ncnc1-c1cn2c(n1)-c1cnc(N3CCCC3C3CCN(C)CC3)cc1OCC2 Homo sapiens CHEMBL3705837 single protein format
CHEMBL4861043 OBDepict Cl N HN S O O N Cl N IC50 = 0.55 nM 431.3 O=S(=O)(Nc1cc(-c2ccc3nncc(Cl)c3c2)cnc1Cl)c1ccccc1 Homo sapiens CHEMBL4824997 single protein format
CHEMBL3704741 OBDepict H 3 C N N N N H 3 C CH 3 N N O N N CH 3 N H 3 C H 3 C IC50 = 0.571 nM 515.67 Cc1nc(-c2cn3c(n2)-c2cnc(-c4cnn(C)c4C4CCCN(C(C)C)C4)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL3705837 single protein format
CHEMBL2216903 OBDepict H 3 C N N N N N N N CH 3 O O N O CH 3 CH 3 Ki = 0.576 nM 504.6 CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CN(C(=O)C(C)C)C3)n(C)c2n1 Homo sapiens CHEMBL2217262 single protein format
CHEMBL3704669 OBDepict CH 3 N N N N CH 3 H 3 C N O N H N CH 3 H 3 C IC50 = 0.584 nM 503.7 Cc1nc(-c2cn3c(n2)-c2ccc(N4CCC[C@@H]4C4CCN(C(C)C)CC4)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL3705837 single protein format
CHEMBL3704672 OBDepict HO N CH 3 H 3 C N N O N N N N N H 3 C CH 3 H 3 C IC50 = 0.596 nM 530.68 Cc1nc(-c2cn3c(n2)-c2ccc(-c4ccnn4C4CCCN(C(C)(C)CO)C4)cc2OCC3)n(C(C)C)n1 Homo sapiens CHEMBL3705837 single protein format
CHEMBL3618245 OBDepict CH 3 O N F N H N N N N H 3 C N NH 2 HO H 3 C CH 3 Ki = 0.6 nM 424.44 COc1ncc(Nc2nc3ccc(C(C)(C)O)cn3c2-c2nc(C)nc(N)n2)cc1F Homo sapiens CHEMBL3620388 single protein format
CHEMBL4460140 OBDepict O NH N H S N O CH 3 N HN Cl S O O IC50 = 0.6 nM 542.04 Cc1nc(NC(=O)CNC(=O)c2ccccc2)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1 Homo sapiens CHEMBL4351077 single protein format
CHEMBL3905829 OBDepict N NH 2 N N N H NH 2 H N N O Cl N Cl IC50 = 0.6 nM 494.35 N#Cc1c(N)nc(N)nc1N[C@H](c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccnc1)C1CC1 Homo sapiens CHEMBL3887754 single protein format
CHEMBL3954692 OBDepict N NH 2 N N N H NH 2 H 3 C H N N O F N Br IC50 = 0.6 nM 496.3 C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Br)c2c(=O)n1-c1cccnc1 Homo sapiens CHEMBL3887754 single protein format
CHEMBL2381271 OBDepict H 3 C N N O N S N N N CH 3 H 3 C IC50 = 0.6 nM 392.49 CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(-c3cn(C)cn3)ccc1-2 Homo sapiens CHEMBL2383017 cell-based format
CHEMBL3931089 OBDepict N NH 2 N N N H H 2 N CH 3 H N N O N Cl H 2 N IC50 = 0.6 nM 448.88 C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(N)c1 Homo sapiens CHEMBL3887754 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 = 0.6 nM 474.92 N#Cc1c(N)nc(N)nc1N[C@H](c1nc2cccc(Cl)c2c(=O)n1-c1ccc(N)nc1)C1CC1 Homo sapiens CHEMBL3887754 single protein format
CHEMBL4077248 OBDepict N N O H H 3 C N H 3 C CH 3 O N F F F N H 2 N IC50 = 0.6 nM 444.42 C[C@H]1COC(C)(C)C(=O)N1c1cc(-c2cc(C(F)(F)F)c3c(N)ncnn23)ccc1C#N Homo sapiens CHEMBL4024906 single protein format
CHEMBL3914643 OBDepict O N H N N H NH 2 N H 3 C H F N N OH N O CH 3 IC50 = 0.6 nM 514.52 Cc1ccn2nc([C@H](C)Nc3ncnc(N)c3C(=O)Nc3ccc(O)c(F)c3)n(-c3ccccc3)c(=O)c12 Homo sapiens CHEMBL3888730 cell-based format
CHEMBL3942165 OBDepict N H 2 N N N N H H 2 N H N N O N Cl IC50 = 0.6 nM 459.9 N#Cc1c(N)nc(N)nc1N[C@H](c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1)C1CC1 Homo sapiens CHEMBL3887754 single protein format
CHEMBL3928926 OBDepict N NH 2 N N N H H 2 N CH 3 H N N O N Cl IC50 = 0.6 nM 433.86 C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1 Homo sapiens CHEMBL3887754 single protein format
CHEMBL2152774 OBDepict F N N N H N S N O N HO CH 3 CH 3 IC50 = 0.6 nM 510.64 CC(C)(O)C1CCN(Cc2nc3c(N4CCOCC4)nc(-c4c(F)ccc5[nH]ccc45)nc3s2)CC1 Homo sapiens CHEMBL2157248 single protein format