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P98170 | XIAP_HUMAN | E3 ubiquitin-protein ligase XIAP (XIAP)

3D structures mapped by conservation among orthologs

[ Domain: "RuvA-C, UBA, CRAL/TRIO-N, HBS1" // UBA_BIRC4_8 ]

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[ Domain: "RING/U-box" // zf-C3HC4_3 ]

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[ Domain: "Inhibitor of apoptosis (IAP) repeat" // BIR ]

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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
CHEMBL4169478 OBDepict H N N H N H H 3 C H H 3 C H CH 3 N O O H 3 C CH 3 N CH 3 O F IC50 = 0.83 nM 553.72 C[C@@H]1CN(CC(=O)N2CC(C)(C)c3c2cc(Cc2ccc(F)cc2)c(=O)n3C)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1 Homo sapiens CHEMBL4157560 cell-based format
CHEMBL3929227 OBDepict CH 3 N H CH 3 NH O N HN N O N N O N CH 3 N H 3 C H 3 C Cl IC50 = 1.0 nM 509.96 CNC(C)C(=O)Nc1cc(-c2nc(OC)nc3c(C)nn(C)c23)cc(NC(=O)c2ccc(Cl)cn2)n1 Homo sapiens CHEMBL3887923 single protein format
CHEMBL4166057 OBDepict HO N N H 3 C CH 3 O N F H H H 3 C N H N H H 3 C H CH 3 O IC50 = 1.6 nM 553.72 C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1 Homo sapiens CHEMBL4157560 cell-based format
CHEMBL4173974 OBDepict HO N N H 3 C CH 3 O N F H H H 3 C N H N H CH 3 O IC50 = 2.8 nM 539.7 C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCOC[C@H]2C)CN1 Homo sapiens CHEMBL4157560 cell-based format
CHEMBL4166607 OBDepict H N N H N H H 3 C H H 3 C H CH 3 N O O H 3 C CH 3 N F IC50 = 2.9 nM 523.7 C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc32)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1 Homo sapiens CHEMBL4157560 cell-based format
CHEMBL4443905 OBDepict H 3 C N H CH 3 H NH O H N O N H H HN O H S O O F F IC50 = 3.5 nM 591.68 CN[C@@H](C)C(=O)N[C@@H](CNCc1ccc(S(=O)(=O)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(F)cccc21 Homo sapiens CHEMBL4305437 cell-based format
CHEMBL4164271 OBDepict F F N N N H 3 C H 3 C O N H H CH 3 HN N O F IC50 = 3.5 nM 578.64 C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nnc(Cc4ccc(F)cc4F)cc32)[C@@H](CN2Cc3cc(F)ccc3C2=O)CN1 Homo sapiens CHEMBL4157560 cell-based format
CHEMBL475670 OBDepict H 3 C N H CH 3 H HN O H O N H H H N H O H Ki = 3.9 nM 530.71 CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2[C@@H](Cc3ccccc3)C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O Homo sapiens CHEMBL985934 cell-based format
CHEMBL4171490 OBDepict F F N N N H 3 C H 3 C O N H H CH 3 HN N O F IC50 = 4.3 nM 578.64 C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nnc(Cc4ccc(F)cc4F)cc32)[C@@H](CN2Cc3c(F)cccc3C2=O)CN1 Homo sapiens CHEMBL4157560 cell-based format
CHEMBL3965881 OBDepict CH 3 HN CH 3 H N H O H N O H 3 C CH 3 H NH O IC50 = 5.0 nM 472.59 CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1cccc2ccccc12)C(C)C Homo sapiens CHEMBL3888934 single protein format
CHEMBL4064619 OBDepict F N N CH 3 H 3 C O N H H CH 3 N H N H H 3 C O IC50 = 5.1 nM 509.67 C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCOC[C@H]2C)CN1 Homo sapiens CHEMBL4157560 cell-based format
CHEMBL4167141 OBDepict H N N H N H H 3 C H H 3 C H CH 3 N O O H 3 C CH 3 N H O F IC50 = 5.4 nM 539.7 C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1 Homo sapiens CHEMBL4157560 cell-based format
CHEMBL4159806 OBDepict N O N H N N H H H 3 C N O H 3 C CH 3 N N F F IC50 = 5.8 nM 585.66 C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nnc(Cc4ccc(F)cc4F)cc32)[C@@H](CN2Cc3ccc(C#N)cc3C2=O)CN1 Homo sapiens CHEMBL4157560 cell-based format
CHEMBL3897678 OBDepict CH 3 N H CH 3 H NH O H H 3 C H N O CH 3 H N H O F F IC50 = 6.0 nM 472.54 CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F Homo sapiens CHEMBL3888934 single protein format
CHEMBL2436208 OBDepict H 3 C O N O N H HN O O N H CH 3 H H 3 C NH 2 ClH IC50 = 6.0 nM 588.11 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O.Cl Homo sapiens CHEMBL2437637 single protein format
CHEMBL3981637 OBDepict H 3 C NH H 3 C H N H O H N O CH 3 H 3 C H N H O F Cl IC50 = 6.0 nM 488.99 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1Cl)C(C)C Homo sapiens CHEMBL3888934 single protein format
CHEMBL4170539 OBDepict F HO H N N H 3 C CH 3 O N H H H 3 C N H N H H 3 C H CH 3 O IC50 = 7.4 nM 539.7 C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc([C@@H](O)c4ccc(F)cc4)cc32)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1 Homo sapiens CHEMBL4157560 cell-based format
CHEMBL4174922 OBDepict F F N N N H 3 C H 3 C O N H H CH 3 HN N O F IC50 = 7.5 nM 578.64 C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nnc(Cc4ccc(F)cc4F)cc32)[C@@H](CN2Cc3ccc(F)cc3C2=O)CN1 Homo sapiens CHEMBL4157560 cell-based format
CHEMBL3979256 OBDepict H 3 C N H CH 3 H N H O H N O H 3 C CH 3 H NH O Cl Cl IC50 = 9.0 nM 491.42 CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(Cl)cccc1Cl)C(C)C Homo sapiens CHEMBL3888934 single protein format
CHEMBL3944632 OBDepict CH 3 O N O N H NH H H 3 C O O N H H 3 C H CH 3 O IC50 = 9.0 nM 558.68 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3ccccc23)c2ccccc2N(C(=O)C2CCOCC2)[C@H]1C Homo sapiens CHEMBL3888932 single protein format
CHEMBL3938640 OBDepict H 3 C NH CH 3 H HN O H N O H N H O F F IC50 = 9.0 nM 498.57 CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F)C1CCCCC1 Homo sapiens CHEMBL3888934 single protein format
CHEMBL3932853 OBDepict H 3 C NH H 3 C NH O N NH N O N N CH 3 CH 3 Cl IC50 = 10.0 nM 477.96 CNC(C)C(=O)Nc1cc(-c2cccc3nc(C)c(C)n23)cc(NC(=O)c2ccc(Cl)cn2)n1 Homo sapiens CHEMBL3887923 single protein format
CHEMBL4110057 OBDepict H 3 C NH H 3 C H NH O N N S H 3 C N N CH 3 N CH 3 IC50 = 10.0 nM 445.55 CN[C@H](C)C(=O)Nc1cc(-c2nc(C)nc3nn(C)c(C)c23)cc(C#Cc2cccs2)n1 Homo sapiens CHEMBL3888130 single protein format
CHEMBL3040504 OBDepict N N N O H H 3 C O S H NH O O CH 3 O O H 3 C N H H 3 C H CH 3 IC50 = 10.0 nM 591.69 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3ccccc23)c2ccc(C#N)cc2N(C(=O)CS(C)(=O)=O)[C@H]1C Homo sapiens CHEMBL3888932 single protein format
CHEMBL3935909 OBDepict CH 3 N H CH 3 NH O N HN N O N N CH 3 N CH 3 H 3 C H 3 C Cl IC50 = 10.0 nM 507.0 CNC(C)C(=O)Nc1cc(-c2nc(C)nc3c(C)c(C)n(C)c23)cc(NC(=O)c2ccc(Cl)cn2)n1 Homo sapiens CHEMBL3887923 single protein format
CHEMBL3908942 OBDepict H 3 C N H CH 3 H N H O H N O H 3 C CH 3 H NH O F Cl IC50 = 10.0 nM 474.96 CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1Cl)C(C)C Homo sapiens CHEMBL3888934 single protein format
CHEMBL3913602 OBDepict N N N O H CH 3 O H HN O O O CH 3 N H CH 3 H H 3 C IC50 = 10.0 nM 583.69 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3ccccc23)c2ccc(C#N)cc2N(C(=O)C2CCOCC2)[C@H]1C Homo sapiens CHEMBL3888932 single protein format
CHEMBL3934552 OBDepict H 3 C O N O H H 3 C N H HN O O HN CH 3 H O H 3 C H 3 C Br IC50 = 11.0 nM 597.51 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2N(C(=O)COC)[C@H]1C Homo sapiens CHEMBL3888932 single protein format
CHEMBL3971740 OBDepict H 3 C N H CH 3 H N H O H N O H 3 C CH 3 H NH O F F IC50 = 12.0 nM 458.51 CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F)C(C)C Homo sapiens CHEMBL3888934 single protein format
CHEMBL4581366 OBDepict CH 3 HN CH 3 H HN O H N O H N H O H O S O O F IC50 = 12.0 nM 552.67 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(OS(=O)(=O)F)cccc21)C1CCCCC1 Homo sapiens CHEMBL4416028 assay format
CHEMBL4107160 OBDepict H 3 C NH H 3 C H NH O N N N N CH 3 N IC50 = 12.0 nM 411.47 CN[C@H](C)C(=O)Nc1cc(-c2ncnc3cnn(C)c23)cc(C#Cc2ccccc2)n1 Homo sapiens CHEMBL3888130 single protein format
CHEMBL4160872 OBDepict F F N N N H 3 C H 3 C O N H H CH 3 HN N O IC50 = 12.0 nM 560.65 C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nnc(Cc4ccc(F)cc4F)cc32)[C@@H](CN2Cc3ccccc3C2=O)CN1 Homo sapiens CHEMBL4157560 cell-based format
CHEMBL3984792 OBDepict H 3 C O N O H H 3 C N H HN O O HN CH 3 H O H 3 C H 3 C IC50 = 12.0 nM 532.64 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3ccccc23)c2ccccc2N(C(=O)CCOC)[C@H]1C Homo sapiens CHEMBL3888932 single protein format
CHEMBL3925767 OBDepict CH 3 N H CH 3 H NH O H CH 3 H 3 C CH 3 N O H N H O F F IC50 = 13.0 nM 472.54 CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F)C(C)(C)C Homo sapiens CHEMBL3888934 single protein format
CHEMBL3976707 OBDepict H 3 C O N N O N H NH H H 3 C O O S N H H 3 C H O O CH 3 CH 3 IC50 = 13.0 nM 567.67 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)cnc3ccccc23)c2ccccc2N(C(=O)CS(C)(=O)=O)[C@H]1C Homo sapiens CHEMBL3888932 single protein format
CHEMBL3958007 OBDepict H 3 C NH H 3 C H NH O N N N N H 3 C CH 3 IC50 = 13.0 nM 500.61 CN[C@@H](C)C(=O)Nc1ccc(-c2c(-c3ccnc(C)c3)nc3cc(C)ccn23)c(C#Cc2ccccc2)n1 Homo sapiens CHEMBL3889230 single protein format
CHEMBL3926243 OBDepict CH 3 CH 3 H HN H N O O H N H CH 3 H N H O H 3 C F F IC50 = 13.0 nM 486.56 CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F Homo sapiens CHEMBL3888934 single protein format
CHEMBL485721 OBDepict H 3 C HN CH 3 H HN O H O N H H N H O H Ki = 14.0 nM 442.6 CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H]3CCCC4C=CC=CC43)N2C1=O Homo sapiens CHEMBL940389 assay format
CHEMBL487964 OBDepict O NH H 2 N CH 3 H H O N H H N H O Ki = 14.0 nM 462.59 C[C@H](N)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O Homo sapiens CHEMBL940389 assay format
CHEMBL4168197 OBDepict H N N H N H CH 3 H H 3 C H H 3 C N O O H 3 C CH 3 N F IC50 = 14.0 nM 523.7 C[C@H]1COC[C@@H](C)N1C[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2ncc(Cc3ccc(F)cc3)cc21 Homo sapiens CHEMBL4157560 cell-based format
CHEMBL4177336 OBDepict H N N H N H CH 3 H CH 3 H H 3 C N O O CH 3 H 3 C N O F IC50 = 14.0 nM 539.7 C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cc(=O)n(Cc4ccc(F)cc4)cc32)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1 Homo sapiens CHEMBL4157560 cell-based format
CHEMBL3912532 OBDepict H 3 C NH H NH O H 3 C H O O N O CH 3 Br IC50 = 14.0 nM 526.43 CC[C@H](NC)C(=O)N[C@H]1COc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O Homo sapiens CHEMBL3888746 single protein format
CHEMBL3938350 OBDepict H 3 C NH CH 3 H HN O H N O H O N H O F F IC50 = 14.0 nM 500.55 CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F)C1CCOCC1 Homo sapiens CHEMBL3888934 single protein format
CHEMBL481213 OBDepict H 3 C HN CH 3 H HN O H O N H H N H O H Ki = 14.0 nM 440.59 CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O Homo sapiens CHEMBL985934 cell-based format
CHEMBL4172596 OBDepict H N N H N H H 3 C O N O H H 3 C O H 3 C CH 3 N F IC50 = 14.0 nM 523.65 C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc32)[C@@H](CN2C[C@@H](C)OCC2=O)CN1 Homo sapiens CHEMBL4157560 cell-based format
CHEMBL3946388 OBDepict CH 3 HN CH 3 HN O N HN N O N N H 3 C H 3 C O CH 3 IC50 = 15.0 nM 473.54 CNC(C)C(=O)Nc1cc(-c2cccc3nc(C)c(C)n23)cc(NC(=O)c2ccc(OC)cn2)n1 Homo sapiens CHEMBL3887923 single protein format
CHEMBL2436214 OBDepict CH 3 O N O Br N H HN O CH 3 O N H H 3 C H CH 3 ClH IC50 = 15.0 nM 589.92 CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O.Cl Homo sapiens CHEMBL2437637 single protein format
CHEMBL3953687 OBDepict N N N O H CH 3 O H HN O O N N H CH 3 H H 3 C IC50 = 15.0 nM 594.72 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(C3CC3)cnc3ccccc23)c2ccc(C#N)cc2N(C(=O)C2CCOCC2)[C@H]1C Homo sapiens CHEMBL3888932 single protein format
CHEMBL3975877 OBDepict H 3 C N H CH 3 HN O N NH O H 3 C N N N H 3 C N CH 3 CH 3 O Cl IC50 = 15.0 nM 523.0 CNC(C)C(=O)Nc1cc(-c2c(C)nc(C)c3c(=O)n(C)n(C)c23)cc(NC(=O)c2ccc(Cl)cn2)n1 Homo sapiens CHEMBL3887923 single protein format
CHEMBL3915777 OBDepict H 3 C NH H 3 C NH O N NH N O N N N N CH 3 CH 3 Cl IC50 = 15.0 nM 479.93 CNC(C)C(=O)Nc1cc(-c2ncnc3nc(C)n(C)c23)cc(NC(=O)c2ccc(Cl)cn2)n1 Homo sapiens CHEMBL3887923 single protein format
CHEMBL3928416 OBDepict H 3 C NH H 3 C H NH O H O O N Cl N N IC50 = 15.0 nM 528.01 CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2c(Cl)n(-c3ccccc3C#N)c3ccccc23)C1=O Homo sapiens CHEMBL3888746 single protein format
CHEMBL519256 OBDepict H 3 C NH H 3 C H NH O H O N H H N H O H Ki = 15.0 nM 426.56 CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H]3CCc4ccccc43)N2C1=O Homo sapiens CHEMBL940389 assay format
CHEMBL3911343 OBDepict CH 3 N H CH 3 H NH O H OH H 3 C H N O H N H O F F IC50 = 16.0 nM 460.48 CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F)[C@@H](C)O Homo sapiens CHEMBL3888934 single protein format
CHEMBL3892194 OBDepict CH 3 N H CH 3 H HN O H N O H O NH O F F IC50 = 16.0 nM 514.57 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F)C1CCOCC1 Homo sapiens CHEMBL3888934 single protein format
CHEMBL3902543 OBDepict H 3 C N H CH 3 H HN O H O N H CH 3 N O N O IC50 = 16.0 nM 569.71 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(C3CC3)cnc3ccccc23)c2ccccc2N(C(=O)C2CCOCC2)[C@H]1C Homo sapiens CHEMBL3888932 single protein format
CHEMBL4167717 OBDepict N N O H N N H H H 3 C N O H 3 C CH 3 N N F F IC50 = 16.0 nM 585.66 C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nnc(Cc4ccc(F)cc4F)cc32)[C@@H](CN2Cc3cc(C#N)ccc3C2=O)CN1 Homo sapiens CHEMBL4157560 cell-based format
CHEMBL4159232 OBDepict F OH N N CH 3 H 3 C O N H H CH 3 N H N H CH 3 H H 3 C O IC50 = 17.0 nM 539.7 C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4O)cc32)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1 Homo sapiens CHEMBL4157560 cell-based format
CHEMBL4173890 OBDepict F N N CH 3 H 3 C O N H H H 3 C N H N O CH 3 CH 3 IC50 = 18.0 nM 519.67 CC1=C(C)C(=O)N(C[C@H]2CN[C@H](C)CN2CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc32)C1 Homo sapiens CHEMBL4157560 cell-based format
CHEMBL3911548 OBDepict CH 3 O N O N H HN H CH 3 O CH 3 O N H CH 3 H H 3 C IC50 = 18.0 nM 488.59 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3ccccc23)c2ccccc2N(C(C)=O)[C@H]1C Homo sapiens CHEMBL3888932 single protein format
CHEMBL516172 OBDepict H 3 C NH CH 3 H HN O H O N H H N H O H Ki = 18.0 nM 474.61 CN[C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]2CC[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O Homo sapiens CHEMBL999325 assay format
CHEMBL3932790 OBDepict H 3 C N H CH 3 H N H O H N O H 3 C CH 3 H NH O CH 3 F IC50 = 19.0 nM 454.55 CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(C)cccc1F)C(C)C Homo sapiens CHEMBL3888934 single protein format
CHEMBL3108923 OBDepict CH O H H N H O H N O NH H CH 3 CH 3 H 3 C O N H H 3 C H CH 3 IC50 = 19.0 nM 496.65 C#CCO[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C Homo sapiens CHEMBL3111929 single protein format
CHEMBL3094408 OBDepict CH 3 HN H N H O CH 3 H N O H H N HN O H O IC50 = 19.0 nM 587.77 CC[C@H](NC)C(=O)N[C@H](C(=O)N1C[C@@H]2Cc3ccccc3N2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1 Homo sapiens CHEMBL3097972 single protein format
CHEMBL3040491 OBDepict H 3 C O N O N H NH H H 3 C O O S N H H 3 C H O O CH 3 CH 3 IC50 = 19.0 nM 566.68 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3ccccc23)c2ccccc2N(C(=O)CS(C)(=O)=O)[C@H]1C Homo sapiens CHEMBL3888932 single protein format
CHEMBL4159855 OBDepict H N N H N H H 3 C H CH 3 N O H H 3 C O H 3 C CH 3 N F IC50 = 20.0 nM 523.7 C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc32)[C@@H](CN2C[C@@H](C)OC[C@H]2C)CN1 Homo sapiens CHEMBL4157560 cell-based format
CHEMBL3893395 OBDepict CH 3 HN CH 3 H N H O H N O H 3 C CH 3 H N H O Cl F F IC50 = 21.0 nM 506.98 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCc2cc(Cl)ccc2[C@H]1C(=O)Nc1c(F)cccc1F)C(C)C Homo sapiens CHEMBL3888934 single protein format
CHEMBL3939245 OBDepict H 3 C NH H 3 C H NH O H O O N N N N IC50 = 21.0 nM 518.58 CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2cccc3c2cc(C#N)n3-c2ccccc2C#N)C1=O Homo sapiens CHEMBL3888746 single protein format
CHEMBL3918388 OBDepict H 3 C N H CH 3 H N H O H N O H 3 C CH 3 H NH O Cl IC50 = 21.0 nM 456.97 CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1ccccc1Cl)C(C)C Homo sapiens CHEMBL3888934 single protein format
CHEMBL3898503 OBDepict H 3 C N H CH 3 H N H O H N O H 3 C CH 3 H NH O H 3 C CH 3 F F IC50 = 21.2 nM 486.56 CN[C@@H](C)C(=O)N[C@H](C(=O)N1c2ccccc2C(C)(C)[C@H]1C(=O)Nc1c(F)cccc1F)C(C)C Homo sapiens CHEMBL3888801 single protein format
CHEMBL3980179 OBDepict H 3 C N H CH 3 H N H O H N O H 3 C CH 3 H NH O F IC50 = 22.0 nM 440.52 CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1ccccc1F)C(C)C Homo sapiens CHEMBL3888934 single protein format
CHEMBL3916269 OBDepict H 3 C NH H 3 C NH O N NH N O N N O CH 3 CH 3 Cl IC50 = 22.0 nM 479.93 CNC(C)C(=O)Nc1cc(-c2ncnc3oc(C)c(C)c23)cc(NC(=O)c2ccc(Cl)cn2)n1 Homo sapiens CHEMBL3887923 single protein format
CHEMBL2436225 OBDepict N N N O H 3 C H H 3 C O H NH O O H 3 C N H H 3 C H CH 3 ClH IC50 = 22.0 nM 550.06 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3ccccc23)c2ccc(C#N)cc2N(C(C)=O)[C@H]1C.Cl Homo sapiens CHEMBL2437637 single protein format
CHEMBL3040442 OBDepict N N N O H 3 C H H 3 C O H NH O O H 3 C N H H 3 C H CH 3 IC50 = 22.0 nM 513.6 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3ccccc23)c2ccc(C#N)cc2N(C(C)=O)[C@H]1C Homo sapiens CHEMBL3888932 single protein format
CHEMBL3962291 OBDepict H 3 C N H CH 3 H HN O H N O H NH O F F IC50 = 23.0 nM 484.55 CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F)C1CCCC1 Homo sapiens CHEMBL3888934 single protein format
CHEMBL3933158 OBDepict N N N O H CH 3 O H HN CH 3 O O N H CH 3 H H 3 C IC50 = 23.0 nM 567.69 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(C)ccc3ccccc23)c2ccc(C#N)cc2N(C(=O)C2CCOCC2)[C@H]1C Homo sapiens CHEMBL3888932 single protein format
CHEMBL3957186 OBDepict N N N O H H 3 C O S H NH O O CH 3 H 3 C O HN H CH 3 CH 3 IC50 = 23.0 nM 589.72 CC[C@H](NC)C(=O)N[C@@H]1C(=O)N(Cc2c(C)ccc3ccccc23)c2ccc(C#N)cc2N(C(=O)CS(C)(=O)=O)[C@H]1C Homo sapiens CHEMBL3888932 single protein format
CHEMBL3935993 OBDepict CH 3 N H CH 3 NH O N HN N O N N N CH 3 N H 3 C Cl IC50 = 23.0 nM 479.93 CNC(C)C(=O)Nc1cc(-c2ncnc3c(C)nn(C)c23)cc(NC(=O)c2ccc(Cl)cn2)n1 Homo sapiens CHEMBL3887923 single protein format
CHEMBL4288451 OBDepict H 3 C NH H 3 C H N H O H N O H N H O S H O O HO F IC50 = 23.2 nM 560.65 CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(S(=O)(=O)O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(F)cccc21 Homo sapiens CHEMBL4256813 assay format
CHEMBL181479 OBDepict CH 3 NH 2 H N H O H N O H 3 C CH 3 H N H O Ki = 24.0 nM 464.61 CC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)C(C)C Homo sapiens CHEMBL840084 single protein format
CHEMBL3975281 OBDepict CH 3 HN H 3 C H HN O H O N O O O CH 3 Br IC50 = 24.0 nM 568.47 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2O[C@@]12CCOC2 Homo sapiens CHEMBL3888746 single protein format
CHEMBL3946504 OBDepict CH 3 N H CH 3 NH O N HN N O N N F Cl IC50 = 24.0 nM 479.9 CNC(C)C(=O)Nc1cc(-c2ncnc3cccc(F)c23)cc(NC(=O)c2ccc(Cl)cn2)n1 Homo sapiens CHEMBL3887923 single protein format
CHEMBL3981335 OBDepict CH 3 N H CH 3 H NH O H O H 3 C H N O CH 3 H N H O F F IC50 = 24.0 nM 474.51 CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F)[C@@H](C)OC Homo sapiens CHEMBL3888934 single protein format
CHEMBL3917880 OBDepict CH 3 HN CH 3 H N H O H N O H 3 C CH 3 H N H O F F F IC50 = 25.0 nM 490.53 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCc2cc(F)ccc2[C@H]1C(=O)Nc1c(F)cccc1F)C(C)C Homo sapiens CHEMBL3888934 single protein format
CHEMBL3912676 OBDepict H 3 C NH H 3 C H N H O H N O CH 3 H 3 C H N H O Cl Cl IC50 = 25.0 nM 505.45 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1c(Cl)cccc1Cl)C(C)C Homo sapiens CHEMBL3888934 single protein format
CHEMBL375349 OBDepict H 3 C NH 2 H HN O H O N H H N H O Ki = 25.0 nM 462.59 CC[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O Homo sapiens CHEMBL908766 single protein format
CHEMBL3911642 OBDepict CH 3 N H CH 3 H HN O H N O H NH O F F IC50 = 26.0 nM 512.6 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F)C1CCCCC1 Homo sapiens CHEMBL3888934 single protein format
CHEMBL4112542 OBDepict CH 3 HN CH 3 H HN O N N N O H 3 C H 3 C IC50 = 26.0 nM 425.49 CN[C@H](C)C(=O)Nc1cc(-c2ncnc3oc(C)c(C)c23)cc(C#Cc2ccccc2)n1 Homo sapiens CHEMBL3888130 single protein format
CHEMBL481422 OBDepict H 3 C N H CH 3 H HN O H O N H H N H O Ki = 26.0 nM 476.62 CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O Homo sapiens CHEMBL940389 assay format
CHEMBL3898167 OBDepict H 3 C NH H 3 C H N H O H N O CH 3 H 3 C H N H O F F IC50 = 27.0 nM 472.54 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F)C(C)C Homo sapiens CHEMBL3888934 single protein format
CHEMBL3907080 OBDepict CH 3 HN CH 3 H N H O H N O H 3 C CH 3 H N H O F F F IC50 = 27.0 nM 490.53 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCc2ccc(F)cc2[C@H]1C(=O)Nc1c(F)cccc1F)C(C)C Homo sapiens CHEMBL3888934 single protein format
CHEMBL3920272 OBDepict CH 3 HN H 3 C H N H O H N O CH 3 H 3 C H N H O F F IC50 = 27.0 nM 472.54 CN[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F Homo sapiens CHEMBL3888934 single protein format
CHEMBL3974067 OBDepict CH 3 HN CH 3 H HN O H O O N CH 3 O H 3 C CH 3 IC50 = 27.0 nM 461.56 CN[C@@H](C)C(=O)N[C@H]1COc2c(C)cccc2N(Cc2c(OC)ccc3cc(C)ccc23)C1=O Homo sapiens CHEMBL3888746 single protein format
CHEMBL3040589 OBDepict N N N O H H 3 C O S H NH O O CH 3 H 3 C O N H H 3 C H CH 3 IC50 = 27.0 nM 575.69 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(C)ccc3ccccc23)c2ccc(C#N)cc2N(C(=O)CS(C)(=O)=O)[C@H]1C Homo sapiens CHEMBL3888932 single protein format
CHEMBL2063869 OBDepict H 3 C N H H 3 C H HN O H N O H HN O S N N Ki = 28.0 nM 498.65 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1 Homo sapiens CHEMBL2066539 single protein format
CHEMBL3950782 OBDepict N N N O CH 3 H CH 3 O H HN O N N H CH 3 H H 3 C IC50 = 28.0 nM 524.63 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(C3CC3)cnc3ccccc23)c2ccc(C#N)cc2N(C(C)=O)[C@H]1C Homo sapiens CHEMBL3888932 single protein format
CHEMBL4437401 OBDepict CH 3 N H H 3 C H NH O H N O H HN O O H S O O F F IC50 = 28.0 nM 578.64 CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OS(=O)(=O)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(F)cccc21 Homo sapiens CHEMBL4305437 cell-based format
CHEMBL180204 OBDepict CH 3 H 3 C N H H N O O H H 2 N CH 3 H N H O Ki = 28.0 nM 450.58 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL840084 single protein format
CHEMBL3939041 OBDepict CH 3 N H H 3 C H NH O H O N H H 3 C N O S O O CH 3 N IC50 = 29.0 nM 577.71 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(C3CC3)cnc3ccccc23)c2ccccc2N(C(=O)CS(C)(=O)=O)[C@H]1C Homo sapiens CHEMBL3888932 single protein format
CHEMBL4110909 OBDepict CH 3 HN CH 3 H HN O N CH 3 N N CH 3 N H 3 C O CH 3 CH 3 N IC50 = 29.0 nM 533.64 CN[C@H](C)C(=O)Nc1cc(-c2c(C)nc(C)c3c(=O)n(C)n(C)c23)cc(C#Cc2ccc3c(C)nccc3c2)n1 Homo sapiens CHEMBL3888130 single protein format
CHEMBL3932143 OBDepict CH 3 O Br H HN O H CH 3 O N H CH 3 H H 3 C IC50 = 29.0 nM 511.46 CN[C@@H](C)C(=O)N[C@@H]1CC(Cc2c(OC)ccc3c(Br)cccc23)c2ccccc2O[C@H]1C Homo sapiens CHEMBL3888746 single protein format