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Q15303 | ERBB4_HUMAN | Receptor tyrosine-protein kinase erbB-4 (ERBB4)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "Leucine-rich repeats" // GF_recep_IV,Recep_L_domain ]

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[ Domain: "Leucine-rich repeats" // Recep_L_domain ]

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[ Domain: "Growth factor receptor domain" // Furin-like ]

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[ Domain: "Growth factor receptor domain" // GF_recep_IV ]

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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

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL1873475 OBDepict CH 2 N O H N N N N H 2 N O IC50 = 0.1 nM 440.51 C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 Homo sapiens CHEMBL3887535 single protein format
CHEMBL203644 OBDepict CH 3 HN O N N N N H Cl F IC50 = 0.5 nM 355.76 CC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 Homo sapiens CHEMBL862514 assay format
CHEMBL4211949 OBDepict CH 2 NH O H N H 2 C N N H 2 N O IC50 = 0.6 nM 423.48 C=CC(=O)N[C@@H]1Cn2c(c(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1=C Homo sapiens CHEMBL4189691 single protein format
CHEMBL437890 OBDepict CH 3 N N N H O N N N HN Br F IC50 = 0.8 nM 512.39 CN1CCN(CCC#CC(=O)Nc2cc3c(Nc4ccc(F)c(Br)c4)ncnc3cn2)CC1 Homo sapiens CHEMBL862514 assay format
CHEMBL204638 OBDepict O NH N N N N N H O Br F IC50 = 1.0 nM 499.34 O=C(C#CCCN1CCOCC1)Nc1cc2c(Nc3ccc(F)c(Br)c3)ncnc2cn1 Homo sapiens CHEMBL862514 assay format
CHEMBL203661 OBDepict O NH N N N N N H O Cl F IC50 = 1.0 nM 454.89 O=C(C#CCCN1CCOCC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 Homo sapiens CHEMBL862514 assay format
CHEMBL3959248 OBDepict CH 3 O O HN N O N N H N CH 3 H 3 C N N IC50 = 1.0 nM 551.65 COCCOc1cc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2cc1NC(=O)/C=C/CN(C)C Homo sapiens CHEMBL3854865 cell-based format
CHEMBL1173655 OBDepict H 3 C N CH 3 HN O O N HN N H O Cl F IC50 = 1.0 nM 485.95 CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 Homo sapiens CHEMBL4625051 single protein format
CHEMBL4647228 OBDepict CH 2 NH O O N H N Cl F N H 3 C IC50 = 1.2 nM 509.03 C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ccnc2cc1OCCC1CC12CCN(C)CC2 Homo sapiens CHEMBL4625051 single protein format
CHEMBL203599 OBDepict CH 3 N N N H O N N N HN Cl F IC50 = 1.2 nM 467.94 CN1CCN(CCC#CC(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cn2)CC1 Homo sapiens CHEMBL862514 assay format
CHEMBL202360 OBDepict HC NH O N N N H Br IC50 = 1.7 nM 367.21 C#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Homo sapiens CHEMBL862514 assay format
CHEMBL205059 OBDepict O NH N N N N N H Cl F IC50 = 1.8 nM 452.92 O=C(C#CCCN1CCCCC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 Homo sapiens CHEMBL862514 assay format
CHEMBL3896779 OBDepict O NH N N N N N H O IC50 = 2.0 nM 466.55 O=C(/C=C/CN1CCCC1)Nc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cn1 Homo sapiens CHEMBL3854865 cell-based format
CHEMBL3890186 OBDepict CH 3 O O HN N O N HN N N N IC50 = 2.0 nM 577.69 COCCOc1cc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2cc1NC(=O)/C=C/CN1CCCC1 Homo sapiens CHEMBL3854865 cell-based format
CHEMBL4075917 OBDepict HO NH H N OH N H 3 C N F H IC50 = 2.4 nM 454.51 Cc1n[nH]c2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3-c3ccc(F)cc3O)cc12 Homo sapiens CHEMBL4018635 single protein format
CHEMBL203645 OBDepict CH 3 HN O N N N N H Cl F IC50 = 2.4 nM 383.81 CCCC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 Homo sapiens CHEMBL862514 assay format
CHEMBL3949347 OBDepict H 3 C N CH 3 NH O N N N N H N N IC50 = 3.0 nM 478.56 CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc4c(cnn4Cc4ccccc4)c3)ncnc2cn1 Homo sapiens CHEMBL3854865 cell-based format
CHEMBL3958482 OBDepict CH 3 O HN N O N HN N O IC50 = 3.0 nM 509.61 COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1NC(=O)/C=C/CN1CCCCC1 Homo sapiens CHEMBL3854865 cell-based format
CHEMBL3981551 OBDepict CH 3 N H 3 C NH O N N N N H Cl O F IC50 = 3.0 nM 506.97 CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2cn1 Homo sapiens CHEMBL3854865 cell-based format
CHEMBL3977504 OBDepict CH 3 N H 3 C NH O N N N NH O IC50 = 3.0 nM 440.51 CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cn1 Homo sapiens CHEMBL3854865 cell-based format
CHEMBL3986103 OBDepict H 3 C O N H N O N NH N HN S O O IC50 = 3.0 nM 572.69 CCOc1cc2ncnc(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2cc1NC(=O)/C=C/CN1CCCC1 Homo sapiens CHEMBL3854865 cell-based format
CHEMBL3932176 OBDepict CH 3 O NH N O N N H N H 3 C CH 3 N N IC50 = 3.0 nM 521.63 CCOc1cc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2cc1NC(=O)/C=C/CN(C)C Homo sapiens CHEMBL3854865 cell-based format
CHEMBL3647967 OBDepict CH 2 HN O H H N N N N H 2 N O IC50 = 3.2 nM 454.53 C=CC(=O)N[C@H]1CC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1 Homo sapiens CHEMBL3887535 single protein format
CHEMBL4068839 OBDepict CH 2 N O H N N N N H 2 N Cl O N IC50 = 3.2 nM 489.97 C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(OCc4ccccn4)c(Cl)c3)c3c(N)ncnc32)C1 Homo sapiens CHEMBL4050461 assay format
CHEMBL3921129 OBDepict CH 3 O HN N O N HN N N N N CH 3 IC50 = 4.0 nM 576.71 CCOc1cc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2cc1NC(=O)/C=C/CN1CCN(C)CC1 Homo sapiens CHEMBL3854865 cell-based format
CHEMBL3923228 OBDepict CH 3 O HN N O N HN N N N IC50 = 4.0 nM 547.66 CCOc1cc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2cc1NC(=O)/C=C/CN1CCCC1 Homo sapiens CHEMBL3854865 cell-based format
CHEMBL3969056 OBDepict CH 3 N H 3 C NH O N N N NH N IC50 = 4.0 nM 439.52 CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(Cc4ccccn4)cc3)ncnc2cn1 Homo sapiens CHEMBL3854865 cell-based format
CHEMBL2103842 OBDepict Cl O NH N N S N N H O N H CH 3 IC50 = 4.0 nM 466.95 C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1 Homo sapiens CHEMBL4342878 single protein format
CHEMBL3942228 OBDepict CH 3 O HN N O N HN N N N IC50 = 4.0 nM 561.69 CCOc1cc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2cc1NC(=O)/C=C/CN1CCCCC1 Homo sapiens CHEMBL3854865 cell-based format
CHEMBL3941823 OBDepict H 3 C O NH N O N NH N N N H CH 3 HN H H 3 C IC50 = 4.0 nM 590.73 CCOc1cc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2cc1NC(=O)/C=C/CN1C[C@H](C)N[C@H](C)C1 Homo sapiens CHEMBL3854865 cell-based format
CHEMBL3971413 OBDepict CH 3 O HN N O N HN N H CH 3 H H 3 C N N NH IC50 = 4.0 nM 590.73 CCOc1cc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2cc1NC(=O)/C=C/CN1[C@@H](C)CNC[C@H]1C Homo sapiens CHEMBL3854865 cell-based format
CHEMBL3948267 OBDepict O HN N N N N N H N N IC50 = 4.0 nM 504.6 O=C(/C=C/CN1CCCC1)Nc1cc2c(Nc3ccc4c(cnn4Cc4ccccc4)c3)ncnc2cn1 Homo sapiens CHEMBL3854865 cell-based format
CHEMBL3233767 OBDepict H 2 C NH O S N N N H Cl F IC50 = 4.0 nM 348.79 C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1 Homo sapiens CHEMBL3239032 single protein format
CHEMBL3967962 OBDepict O NH N N N N N H N IC50 = 4.0 nM 465.56 O=C(/C=C/CN1CCCC1)Nc1cc2c(Nc3ccc(Cc4ccccn4)cc3)ncnc2cn1 Homo sapiens CHEMBL3854865 cell-based format
CHEMBL3962365 OBDepict H 3 C O N H N O N NH N Cl O F IC50 = 4.0 nM 576.07 CCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCC1 Homo sapiens CHEMBL3854865 cell-based format
CHEMBL2035810 OBDepict CH 2 N H O N O N NH NH 2 N Cl O N IC50 = 4.0 nM 477.91 C=CC(=O)NCc1coc(-c2c(N)ncnc2Nc2ccc(OCc3ccccn3)c(Cl)c2)n1 Homo sapiens CHEMBL2038919 single protein format
CHEMBL204085 OBDepict O HN N N N HN O Cl F IC50 = 4.3 nM 453.91 O=C(C#CCCN1CCOCC1)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Homo sapiens CHEMBL862514 assay format
CHEMBL3914227 OBDepict CH 3 O HN N O N HN N H CH 3 H H 3 C N N IC50 = 5.0 nM 589.74 CCOc1cc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2cc1NC(=O)/C=C/CN1[C@@H](C)CCC[C@H]1C Homo sapiens CHEMBL3854865 cell-based format
CHEMBL4067871 OBDepict OH N H H N OH Cl N IC50 = 5.0 nM 467.96 OC[C@H](Nc1cnc(-c2cc(Cl)ccc2O)c(-c2ccc3cnccc3c2)c1)c1ccccc1 Homo sapiens CHEMBL4018635 single protein format
CHEMBL3904257 OBDepict O NH N N N N N H Cl O F IC50 = 5.0 nM 533.01 O=C(/C=C/CN1CCCC1)Nc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2cn1 Homo sapiens CHEMBL3854865 cell-based format
CHEMBL4105329 OBDepict OH HN H N HO Cl N H 3 C N H IC50 = 5.3 nM 470.96 Cc1n[nH]c2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3-c3cc(Cl)ccc3O)cc12 Homo sapiens CHEMBL4018635 single protein format
CHEMBL3290142 OBDepict CH 2 N H O N H N N HN O CH 3 NH O F F F IC50 = 5.5 nM 560.54 C=CC(=O)Nc1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)cn2)c1 Homo sapiens CHEMBL3292440 single protein format
CHEMBL3907533 OBDepict CH 3 O HN N O N HN N N N O IC50 = 6.0 nM 563.66 CCOc1cc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2cc1NC(=O)/C=C/CN1CCOCC1 Homo sapiens CHEMBL3854865 cell-based format
CHEMBL3950966 OBDepict CH 3 O HN N O N N H N CH 3 CH 3 CH 3 H 3 C N N IC50 = 6.0 nM 577.73 CCOc1cc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2cc1NC(=O)/C=C/CN(C(C)C)C(C)C Homo sapiens CHEMBL3854865 cell-based format
CHEMBL4062877 OBDepict OH HN H N HO F N H 3 C N H IC50 = 6.2 nM 454.51 Cc1n[nH]c2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3-c3cc(F)ccc3O)cc12 Homo sapiens CHEMBL4018635 single protein format
CHEMBL202556 OBDepict O NH N N N N N H O Cl F IC50 = 6.2 nM 440.87 O=C(C#CCN1CCOCC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 Homo sapiens CHEMBL862514 assay format
CHEMBL3930506 OBDepict O N H N N N N HN Cl F IC50 = 7.0 nM 440.91 O=C(/C=C/CN1CCCCC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 Homo sapiens CHEMBL3854865 cell-based format
CHEMBL202424 OBDepict H 3 C NH O N N N N H Cl F IC50 = 7.1 nM 397.84 CCCCC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 Homo sapiens CHEMBL862514 assay format
CHEMBL202411 OBDepict OH HN O N N N H Cl F IC50 = 7.3 nM 370.77 O=C(C#CCO)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Homo sapiens CHEMBL862514 assay format
CHEMBL3092314 OBDepict CH 3 N H 3 C NH NH O O N NH N H O Cl F IC50 = 8.0 nM 531.03 CCN(CC)CCCNC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 Homo sapiens CHEMBL3095049 single protein format
CHEMBL3899132 OBDepict H 3 C O N H N O N NH N H 3 C H 3 C N S O O IC50 = 10.0 nM 570.68 CCOc1cc2ncnc(Nc3ccc4c(ccn4S(=O)(=O)c4ccccc4)c3)c2cc1NC(=O)/C=C/CN(C)C Homo sapiens CHEMBL3854865 cell-based format
CHEMBL4248386 OBDepict CH 2 S N H O O H 3 C CH 3 N CH 3 H O H 2 N IC50 = 10.0 nM 383.47 C=CS(=O)(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1C Homo sapiens CHEMBL4235706 single protein format
CHEMBL3109738 OBDepict CH 3 O O N N N H N Br H 3 C IC50 = 11.0 nM 457.37 COc1cc2ncnc3c2cc1OCCCCCN(C)Cc1ccc(Br)cc1N3 Homo sapiens CHEMBL4342878 single protein format
CHEMBL3890751 OBDepict H 3 C O N H N O N NH N N S O O IC50 = 11.0 nM 596.71 CCOc1cc2ncnc(Nc3ccc4c(ccn4S(=O)(=O)c4ccccc4)c3)c2cc1NC(=O)/C=C/CN1CCCC1 Homo sapiens CHEMBL3854865 cell-based format
CHEMBL380669 OBDepict CH 3 N CH 3 CH 3 H 3 C HN O N N N H Cl F IC50 = 11.0 nM 453.95 CC(C)N(CC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)C(C)C Homo sapiens CHEMBL862514 assay format
CHEMBL3092308 OBDepict O HN N H O N N N H N H O Cl F IC50 = 12.0 nM 514.99 O=C(NCCN1CCCC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 Homo sapiens CHEMBL3095049 single protein format
CHEMBL91867 OBDepict H 3 C NH O N N N H Br IC50 = 12.0 nM 381.23 CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Homo sapiens CHEMBL862514 assay format
CHEMBL285063 OBDepict CH 2 HN O N N N H Br IC50 = 12.0 nM 369.22 C=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Homo sapiens CHEMBL1026508 single protein format
CHEMBL3930965 OBDepict CH 3 O N H N O N NH N N IC50 = 13.0 nM 494.6 COc1cc2ncnc(Nc3ccc(Cc4ccccn4)cc3)c2cc1NC(=O)/C=C/CN1CCCC1 Homo sapiens CHEMBL3854865 cell-based format
CHEMBL378144 OBDepict CH NH O N N N N H Br IC50 = 13.0 nM 368.19 C#CC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Homo sapiens CHEMBL862514 assay format
CHEMBL31965 OBDepict H 2 C NH O O N N H N N Cl F O IC50 = 14.0 nM 485.95 C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1 Homo sapiens CHEMBL1026508 single protein format
CHEMBL3919183 OBDepict CH 3 HN O O CH 3 N N H N N N N IC50 = 15.0 nM 453.51 CCC(=O)Nc1cc2c(Nc3ccc4c(cnn4Cc4ccccn4)c3)ncnc2cc1OC Homo sapiens CHEMBL3854865 cell-based format
CHEMBL4860202 OBDepict H 3 C S O O N N N N S O IC50 = 15.24 nM 462.56 CS(=O)(=O)c1nccc(-c2c(-c3cccc(OCc4ccccc4)c3)nc3sccn23)n1 Homo sapiens CHEMBL4832291 single protein format
CHEMBL382073 OBDepict H 3 C N CH 3 NH O N N N H Cl F IC50 = 16.0 nM 439.92 CCN(CC)CCC#CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Homo sapiens CHEMBL862514 assay format
CHEMBL4752700 OBDepict CH 2 HN O N O HN O N CH 3 IC50 = 16.0 nM 438.49 C=CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4cc(CC)ccn4)cc3)c2c1 Homo sapiens CHEMBL4726198 assay format
CHEMBL3707348 OBDepict H 3 C N O H N N N H 2 N N H O N IC50 = 16.0 nM 465.52 CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12 Homo sapiens CHEMBL4726198 assay format
CHEMBL4866102 OBDepict O N N S N N IC50 = 17.7 nM 384.46 c1ccc(COc2cccc(-c3nc4sccn4c3-c3ccncn3)c2)cc1 Homo sapiens CHEMBL4832291 single protein format
CHEMBL3957416 OBDepict CH 3 O NH N O N NH N HN O S O O IC50 = 18.0 nM 588.69 CCOc1cc2ncnc(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2cc1NC(=O)/C=C/CN1CCOCC1 Homo sapiens CHEMBL3854865 cell-based format
CHEMBL3948084 OBDepict CH 3 HN O O CH 3 N N H N N N IC50 = 18.0 nM 452.52 CCC(=O)Nc1cc2c(Nc3ccc4c(cnn4Cc4ccccc4)c3)ncnc2cc1OC Homo sapiens CHEMBL3854865 cell-based format
CHEMBL1090360 OBDepict O N H N N S N N HN N O IC50 = 18.0 nM 587.71 O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1 Homo sapiens CHEMBL1109666 single protein format
CHEMBL30432 OBDepict H 3 C N CH 3 N N N N H N N IC50 = 20.0 nM 395.47 CN(C)c1cc2c(Nc3ccc4c(cnn4Cc4ccccc4)c3)ncnc2cn1 Homo sapiens CHEMBL795907 single protein format
CHEMBL3964380 OBDepict H 3 C NH O O CH 3 N N H N N O IC50 = 22.0 nM 441.49 CCC(=O)Nc1cc2c(Nc3ccc4c(ccn4Cc4ccco4)c3)ncnc2cc1OC Homo sapiens CHEMBL3854865 cell-based format
CHEMBL3357634 OBDepict CH 3 O NH N O N N H F N CH 3 CH 3 Cl F IC50 = 23.0 nM 447.87 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C(F)=C/CN(C)C Homo sapiens CHEMBL3385197 single protein format
CHEMBL4108687 OBDepict O O N H 3 C CH 3 H H N N N H 2 N N H O N F F F IC50 = 23.0 nM 565.56 CC1(C)OC(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CC[C@H]21 Homo sapiens CHEMBL4727421 single protein format
CHEMBL4106978 OBDepict O N H H N N N H 2 N HN O N F F F IC50 = 24.0 nM 535.53 Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 Homo sapiens CHEMBL4727421 single protein format
CHEMBL3968417 OBDepict CH 3 N H 3 C NH O N N N N H Cl F IC50 = 28.0 nM 400.85 CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 Homo sapiens CHEMBL3854865 cell-based format
CHEMBL2178352 OBDepict CH 3 N N N H N N N N N H IC50 = 30.0 nM 468.61 CN1CCN(c2ccc(Nc3ncc4nc(Nc5ccccc5)n(C5CCCC5)c4n3)cc2)CC1 Homo sapiens CHEMBL2188538 single protein format
CHEMBL545315 OBDepict CH 2 HN O O N N H N N Cl F O ClH ClH IC50 = 31.0 nM 558.87 C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1.Cl.Cl Homo sapiens CHEMBL862514 assay format
CHEMBL4749037 OBDepict O O N H H N N N H 2 N HN O N F F F IC50 = 34.0 nM 537.5 Nc1nccn2c([C@@H]3CC[C@H]4COC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 Homo sapiens CHEMBL4727421 single protein format
CHEMBL4782725 OBDepict CH 3 NH O O O N N O N H O N IC50 = 37.0 nM 551.6 CC#CC(=O)Nc1cc2c(Oc3ccc(C(=O)Nc4ccccn4)cc3)ccnc2cc1OCCN1CCOCC1 Homo sapiens CHEMBL4726198 assay format
CHEMBL3233785 OBDepict O N H S N N N HN O Cl F IC50 = 37.0 nM 485.97 O=C(/C=C/CN1CC2CCC1C(=O)C2)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1 Homo sapiens CHEMBL3239032 single protein format
CHEMBL3977326 OBDepict CH 3 HN O O CH 3 N N H N N IC50 = 38.0 nM 451.53 CCC(=O)Nc1cc2c(Nc3ccc4c(ccn4Cc4ccccc4)c3)ncnc2cc1OC Homo sapiens CHEMBL3854865 cell-based format
CHEMBL3916644 OBDepict CH 3 N H O O CH 3 N NH N O O O IC50 = 40.0 nM 458.47 CCC(=O)Nc1cc2c(Nc3ccc(Oc4ccc5c(c4)OCO5)cc3)ncnc2cc1OC Homo sapiens CHEMBL3854865 cell-based format
CHEMBL3977926 OBDepict CH 3 O N H N O N NH N O N IC50 = 41.0 nM 524.63 CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)cc3)c2cc1NC(=O)/C=C/CN1CCCC1 Homo sapiens CHEMBL3854865 cell-based format
CHEMBL3680378 OBDepict CH 3 O HN N O N HN N Cl F IC50 = 41.33 nM 483.98 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCCC1 Homo sapiens CHEMBL3707876 single protein format
CHEMBL3958006 OBDepict O N H N N N N HN O Cl F IC50 = 43.0 nM 442.88 O=C(/C=C/CN1CCOCC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1 Homo sapiens CHEMBL3854865 cell-based format
CHEMBL1916891 OBDepict CH 3 N H 3 C N O CH 3 F N N N N H CH 3 IC50 = 43.7 nM 432.5 Cc1ccccc1Nc1nc2cc(F)c(N(C)C(=O)/C=C/CN(C)C)cc2n2cncc12 Homo sapiens CHEMBL1917968 single protein format
CHEMBL4204801 OBDepict N O H 2 N N N H IC50 = 44.0 nM 288.31 N#C/C(=Cc1cccc(-c2cccc3[nH]ncc23)c1)C(N)=O Homo sapiens CHEMBL4179018 single protein format
CHEMBL3943512 OBDepict CH 3 HN O O CH 3 N HN N O IC50 = 48.0 nM 414.47 CCC(=O)Nc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cc1OC Homo sapiens CHEMBL3854865 cell-based format
CHEMBL3918580 OBDepict CH 3 N N O N H O NH 2 OH H 3 C H 3 C IC50 = 50.0 nM 502.57 Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1cnc2ccccc2c1=O Homo sapiens CHEMBL4429383 assay format
CHEMBL4077588 OBDepict F N HN O N H 2 N N N H N F F F O IC50 = 59.0 nM 583.59 Nc1nccn2c([C@@H]3CCCN(C4CCOCC4)C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12 Homo sapiens CHEMBL4057956 single protein format
CHEMBL3680375 OBDepict O HN O N N N H N N Cl F O IC50 = 61.5 nM 583.11 O=C(/C=C/CN1CCCCC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1 Homo sapiens CHEMBL3707876 single protein format
CHEMBL3981041 OBDepict CH 3 HN O O CH 3 N N H N N S O O IC50 = 63.0 nM 501.57 CCC(=O)Nc1cc2c(Nc3ccc4c(ccn4S(=O)(=O)c4ccccc4)c3)ncnc2cc1OC Homo sapiens CHEMBL3854865 cell-based format
CHEMBL3944095 OBDepict H 3 C NH O O CH 3 N N H N HN IC50 = 64.0 nM 427.51 CCC(=O)Nc1cc2c(Nc3ccc(NCc4ccccc4)cc3)ncnc2cc1OC Homo sapiens CHEMBL3854865 cell-based format
CHEMBL4103954 OBDepict O N H CH 3 H N N N H 2 N F HN O N F F F IC50 = 65.0 nM 581.57 C[C@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)CN1C(=O)C1CC1 Homo sapiens CHEMBL4717040 single protein format
CHEMBL496174 OBDepict F O Cl N H N S N H N H IC50 = 66.0 nM 478.98 Fc1cccc(COc2ccc(Nc3ncnc4cc(C#C[C@H]5CCCN5)sc34)cc2Cl)c1 Homo sapiens CHEMBL4351037 single protein format
CHEMBL4076024 OBDepict CH 3 O N O H N N N H 2 N F N H O N F F F IC50 = 71.0 nM 571.54 COCC(=O)N1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1 Homo sapiens CHEMBL4057956 single protein format
CHEMBL202421 OBDepict H 3 C N CH 3 NH O N N N N H Cl F IC50 = 73.0 nM 482.99 CCCCN(CC#CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1)CCCC Homo sapiens CHEMBL862514 assay format
CHEMBL2105719 OBDepict CH 3 O NH N O N NH N Cl F OH 2 IC50 = 74.0 nM 487.96 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1.O Homo sapiens CHEMBL2217243 cell-based format
CHEMBL4060757 OBDepict F N NH O N NH 2 N N H O N F F F O IC50 = 76.0 nM 585.56 Nc1nccn2c([C@H]3CN(C4CCOCC4)CCO3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12 Homo sapiens CHEMBL4057956 single protein format