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P51813 | BMX_HUMAN | Cytoplasmic tyrosine-protein kinase BMX (BMX)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "SH2" // SH2 ]

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[ Domain: "Btk/CHORD zinc fingers" // BTK ]

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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
CHEMBL3647964 OBDepict CH 2 N O H N N N N H 2 N O IC50 = 0.4 nM 440.51 C=CC(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 Homo sapiens CHEMBL4843877 cell-based format
CHEMBL1873475 OBDepict CH 2 N O H N N N N H 2 N O IC50 = 0.8 nM 440.51 C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 Homo sapiens CHEMBL2060516 single protein format
CHEMBL3647967 OBDepict CH 2 HN O H H N N N N H 2 N O IC50 = 1.1 nM 454.53 C=CC(=O)N[C@H]1CC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1 Homo sapiens CHEMBL3887531 single protein format
CHEMBL459850 OBDepict O N N H 3 C N H 3 C N N H H 2 N O F F F IC50 = 1.4 nM 456.43 Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(N)nc2N(C)C1=O Homo sapiens CHEMBL974014 single protein format
CHEMBL4297674 OBDepict H 3 C N H O H N F H 3 C N CH 3 H O NH 2 IC50 = 1.5 nM 370.43 CC#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1 Homo sapiens CHEMBL4616779 single protein format
CHEMBL1916891 OBDepict CH 3 N H 3 C N O CH 3 F N N N N H CH 3 IC50 = 1.53 nM 432.5 Cc1ccccc1Nc1nc2cc(F)c(N(C)C(=O)/C=C/CN(C)C)cc2n2cncc12 Homo sapiens CHEMBL1919250 single protein format
CHEMBL3290142 OBDepict CH 2 N H O N H N N HN O CH 3 NH O F F F IC50 = 1.9 nM 560.54 C=CC(=O)Nc1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)cn2)c1 Homo sapiens CHEMBL3296228 single protein format
CHEMBL4248386 OBDepict CH 2 S N H O O H 3 C CH 3 N CH 3 H O H 2 N IC50 = 3.3 nM 383.47 C=CS(=O)(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1C Homo sapiens CHEMBL4235702 single protein format
CHEMBL4568087 OBDepict H 3 C N N N N N S N H O H H H 2 N IC50 = 3.5 nM 421.53 Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1 Homo sapiens CHEMBL4479698 assay format
CHEMBL4752700 OBDepict CH 2 HN O N O HN O N CH 3 IC50 = 3.8 nM 438.49 C=CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4cc(CC)ccn4)cc3)c2c1 Homo sapiens CHEMBL4726194 assay format
CHEMBL4241958 OBDepict CH 2 HN O H 3 C N H O H 2 N OH H 3 C H 3 C IC50 = 5.2 nM 431.54 C=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(C(C)(C)O)C4)c1C Homo sapiens CHEMBL4235702 single protein format
CHEMBL3936761 OBDepict H 2 C N O H N N N H O H 2 N O IC50 = 5.4 nM 471.56 C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1 Homo sapiens CHEMBL4841670 cell-based 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 = 5.6 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 CHEMBL4727419 single protein format
CHEMBL4171756 OBDepict H 2 C N O N O N N IC50 = 5.62 nM 494.55 C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc21 Homo sapiens CHEMBL4130921 assay format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 6.16 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328319 single protein format
CHEMBL3928976 OBDepict Cl O NH 2 N CH 3 H N O O N OH H 3 C H 3 C Cl IC50 = 7.0 nM 587.46 Cc1c(-c2c(Cl)cc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1c(=O)cc2c(Cl)cccn2c1=O Homo sapiens CHEMBL4672810 single protein format
CHEMBL4075449 OBDepict CH 2 HN O H 3 C N O N N N H IC50 = 7.36 nM 421.46 C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1C Homo sapiens CHEMBL4130921 assay format
CHEMBL288441 OBDepict CH 3 O O N N H N N Cl O H 3 C Cl N CH 3 IC50 = 7.9 nM 530.46 COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl Homo sapiens CHEMBL1244335 single protein format
CHEMBL4091991 OBDepict CH 2 N H O H 3 C N O N N H S O O CH 3 IC50 = 7.99 nM 524.6 C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccc(NS(C)(=O)=O)cc5)cc4c32)ccc1C Homo sapiens CHEMBL4130921 assay format
CHEMBL1214141 OBDepict CH 3 N N H N N N CH 3 N O CH 3 NH O F F F IC50 = 8.0 nM 547.54 Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc2C)C3)cn1 Homo sapiens CHEMBL4008315 assay format
CHEMBL4098453 OBDepict CH 2 HN O H 3 C N O N N N H 3 C IC50 = 8.16 nM 435.49 C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnn(C)c5)cc4c32)ccc1C Homo sapiens CHEMBL4130921 assay format
CHEMBL4160923 OBDepict CH 2 N O N O N N N H IC50 = 8.75 nM 433.47 C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cn[nH]c6)cc5c43)cc21 Homo sapiens CHEMBL4130921 assay format
CHEMBL4161110 OBDepict CH 2 HN O N O N N N H IC50 = 10.5 nM 407.43 C=CC(=O)Nc1cccc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)c1 Homo sapiens CHEMBL4130921 assay format
CHEMBL4103954 OBDepict O N H CH 3 H N N N H 2 N F HN O N F F F IC50 = 11.0 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 CHEMBL4717038 single protein format
CHEMBL4106978 OBDepict O N H H N N N H 2 N HN O N F F F IC50 = 11.0 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 CHEMBL4727419 single protein format
CHEMBL4878626 OBDepict CH 2 N O H N N NH 2 O H 2 N N H O N Cl IC50 = 11.3 nM 570.05 C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(-c4ccc(Cl)cc4)ccn3)cc2)c(C(N)=O)n1N Homo sapiens CHEMBL4841670 cell-based format
CHEMBL4755977 OBDepict CH 3 O NH N O O N NH O O N IC50 = 12.0 nM 551.6 COc1cc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2cc1NC(=O)C#CCCN1CCOCC1 Homo sapiens CHEMBL4726194 assay format
CHEMBL4159628 OBDepict H 2 C NH O CH 3 N O N O IC50 = 12.1 nM 421.46 C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccoc5)cc4c32)ccc1C Homo sapiens CHEMBL4130921 assay format
CHEMBL4077107 OBDepict H 2 C NH O CH 3 N O N N NH 2 IC50 = 12.9 nM 447.5 C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccc(N)nc5)cc4c32)ccc1C Homo sapiens CHEMBL4130921 assay format
CHEMBL4237557 OBDepict CH 2 N H O CH 3 CH 3 N H 3 C H O NH 2 IC50 = 13.0 nM 347.42 C=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1C Homo sapiens CHEMBL4235702 single protein format
CHEMBL4749037 OBDepict O O N H H N N N H 2 N HN O N F F F IC50 = 13.0 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 CHEMBL4727419 single protein format
CHEMBL4163217 OBDepict H 2 C NH O CH 3 N O N O O IC50 = 13.3 nM 489.53 C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccc6c(c5)OCCO6)cc4c32)ccc1C Homo sapiens CHEMBL4130921 assay format
CHEMBL4161149 OBDepict CH 2 N O N O N N NH 2 IC50 = 13.3 nM 459.51 C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6ccc(N)nc6)cc5c43)cc21 Homo sapiens CHEMBL4130921 assay format
CHEMBL3746293 OBDepict CH 3 N N N N H O N N H CH 3 N H F O S IC50 = 14.0 nM 529.6 Cc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)ccc(F)c1NC(=O)c1cc2ccccc2s1 Homo sapiens CHEMBL3750472 single protein format
CHEMBL4871192 OBDepict CH N O N N N H O H 2 N O IC50 = 14.1 nM 453.5 C#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c23)CC1 Homo sapiens CHEMBL4843877 cell-based format
CHEMBL4869409 OBDepict CH N O N N N H O H 2 N O F IC50 = 14.4 nM 471.49 C#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5F)cc4)[nH]c23)CC1 Homo sapiens CHEMBL4843877 cell-based format
CHEMBL4166849 OBDepict H 2 C NH O N O N N H 2 N IC50 = 15.7 nM 433.47 C=CC(=O)Nc1cccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(N)nc5)cc4c32)c1 Homo sapiens CHEMBL4130921 assay format
CHEMBL4162994 OBDepict H 2 C NH O CH 3 N O N IC50 = 15.9 nM 431.5 C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccccc5)cc4c32)ccc1C Homo sapiens CHEMBL4130921 assay format
CHEMBL4068097 OBDepict H 2 C N O N O N S HN O O CH 3 CH 3 CH 3 IC50 = 18.1 nM 578.69 C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6ccc(S(=O)(=O)NC(C)(C)C)cc6)cc5c43)cc21 Homo sapiens CHEMBL4130921 assay format
CHEMBL4071759 OBDepict H 2 C NH O CH 3 N O N N IC50 = 18.5 nM 482.54 C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)ccc1C Homo sapiens CHEMBL4130921 assay format
CHEMBL4114929 OBDepict CH 3 O N N H O N H 2 N N N H N F F F H O IC50 = 19.0 nM 565.56 COc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 Homo sapiens CHEMBL4727419 single protein format
CHEMBL4173695 OBDepict H 2 C NH O CH 3 N O N S IC50 = 19.7 nM 437.52 C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccsc5)cc4c32)ccc1C Homo sapiens CHEMBL4130921 assay format
CHEMBL4076024 OBDepict CH 3 O N O H N N N H 2 N F N H O N F F F IC50 = 20.0 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 CHEMBL4057952 single protein format
CHEMBL4799627 OBDepict O N CH 3 O H N N N NH 2 F N H O N F F F IC50 = 20.0 nM 597.57 CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4F)c4c(N)nccn34)C2)COC1 Homo sapiens CHEMBL4717038 single protein format
CHEMBL4798527 OBDepict H 3 C N H N O N NH 2 N N H CH 3 F F F H HO IC50 = 21.0 nM 548.57 Cc1ccc(NC(=O)c2ccc(C)c(C(F)(F)F)c2)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 Homo sapiens CHEMBL4766161 single protein format
CHEMBL4863088 OBDepict CH N O N N N H O H 2 N O IC50 = 21.4 nM 425.45 C#CC(=O)N1CC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c23)C1 Homo sapiens CHEMBL4843877 cell-based format
CHEMBL3918580 OBDepict CH 3 N N O N H O NH 2 OH H 3 C H 3 C IC50 = 24.0 nM 502.57 Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1cnc2ccccc2c1=O Homo sapiens CHEMBL4429377 assay format
CHEMBL4875332 OBDepict CH N O N N N H O H 2 N O IC50 = 27.5 nM 439.48 C#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c23)C1 Homo sapiens CHEMBL4843877 cell-based format
CHEMBL4170077 OBDepict H 2 C NH O CH 3 N O N IC50 = 27.8 nM 457.53 C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(/C=C/c5ccccc5)cc4c32)ccc1C Homo sapiens CHEMBL4130921 assay format
CHEMBL4094125 OBDepict O N CH 3 O H N N N NH 2 N H O N F F F IC50 = 28.0 nM 579.58 CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)C2)COC1 Homo sapiens CHEMBL4717038 single protein format
CHEMBL3900554 OBDepict F O NH 2 N CH 3 H N H O O N OH CH 3 H 3 C H 3 C F IC50 = 32.0 nM 572.61 Cc1c(-c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CC[C@H](C(C)(C)O)C4)cccc1-n1c(=O)c2cccc(F)c2n(C)c1=O Homo sapiens CHEMBL3858963 single protein format
CHEMBL4098823 OBDepict CH 2 NH O CH 3 N H N N N CH 3 N O CH 3 N H O H 2 N H CH 3 H 3 C IC50 = 33.0 nM 556.67 C=CC(=O)Nc1cc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)[C@@H](N)CC(C)C)ccc2C)C3)ccc1C Homo sapiens CHEMBL4008315 assay format
CHEMBL4857353 OBDepict CH N O N N N H O H 2 N O F F IC50 = 34.4 nM 489.48 C#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5F)cc4)[nH]c23)CC1 Homo sapiens CHEMBL4843877 cell-based format
CHEMBL4856592 OBDepict CH N O N N N H O H 2 N O O CH 3 IC50 = 35.0 nM 483.53 C#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(OC)cc5)cc4)[nH]c23)CC1 Homo sapiens CHEMBL4843877 cell-based format
CHEMBL4095253 OBDepict CH 2 S N O O H N N N H 2 N O O IC50 = 35.7 nM 427.49 C=CS(=O)(=O)N1CCC[C@@H]1Cn1cc(-c2ccc3c(c2)OCO3)c2c(N)ncnc21 Homo sapiens CHEMBL4058119 cell-based format
CHEMBL4172284 OBDepict CH 3 N H N N N NH 2 O NH 2 IC50 = 36.0 nM 318.34 Cc1cc2[nH]ncc2cc1-c1cccc2c(N)c(C(N)=O)nnc12 Homo sapiens CHEMBL4152880 single protein format
CHEMBL3586447 OBDepict CH 3 N N N H N NH 2 O NH 2 IC50 = 36.0 nM 318.34 Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(C(N)=O)nnc12 Homo sapiens CHEMBL3588276 single protein format
CHEMBL3263640 OBDepict CH 3 NH N N O HN N N H H 3 C H 3 C CH 3 N O O IC50 = 37.0 nM 589.7 Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c2nc[nH]c2n1 Homo sapiens CHEMBL3270599 single protein format
CHEMBL4159459 OBDepict CH 3 N H N H O N N O NH CH 3 O CH 2 IC50 = 40.6 nM 503.56 C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccc(NC(=O)NC)cc5)cc4c32)ccc1C Homo sapiens CHEMBL4130921 assay format
CHEMBL3707348 OBDepict H 3 C N O H N N N H 2 N N H O N IC50 = 46.0 nM 465.52 CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12 Homo sapiens CHEMBL4726194 assay format
CHEMBL4863913 OBDepict CH 2 N O H N N NH 2 O H 2 N N H O N F IC50 = 46.8 nM 553.6 C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(-c4ccc(F)cc4)ccn3)cc2)c(C(N)=O)n1N Homo sapiens CHEMBL4841670 cell-based format
CHEMBL4077064 OBDepict CH 2 N O N O N N N CH 3 IC50 = 54.0 nM 447.5 C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnn(C)c6)cc5c43)cc21 Homo sapiens CHEMBL4024932 cell-based format
CHEMBL4755698 OBDepict H 2 C N O N N N H 2 N O O IC50 = 61.5 nM 405.46 C=CC(=O)N1CCC(Cn2cc(-c3ccc4c(c3)OCO4)c3c(N)ncnc32)CC1 Homo sapiens CHEMBL4720217 single protein format
CHEMBL4107779 OBDepict O N H H N N N H 2 N O N H O N F F F IC50 = 64.0 nM 591.59 Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3OC3CC3)c12 Homo sapiens CHEMBL4727419 single protein format
CHEMBL4163399 OBDepict H 2 C NH O CH 3 N O N N IC50 = 66.1 nM 432.48 C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cccnc5)cc4c32)ccc1C Homo sapiens CHEMBL4130921 assay format
CHEMBL4867893 OBDepict H 3 C O O N H N O NH 2 N N O HC IC50 = 73.4 nM 455.47 C#CC(=O)N1CC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(OC)cc5)cc4)[nH]c23)C1 Homo sapiens CHEMBL4843877 cell-based format
CHEMBL4166664 OBDepict H 2 C NH O CH 3 N O N N N IC50 = 83.0 nM 421.46 C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-n5cccn5)cc4c32)ccc1C Homo sapiens CHEMBL4130921 assay format
CHEMBL4525187 OBDepict H 2 N N N N H N O H O IC50 = 83.0 nM 441.54 Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C[C@H]1CCCN1C[C@@H]1CO1 Homo sapiens CHEMBL4347053 single protein format
CHEMBL4069387 OBDepict O N CH 3 H 3 C H N N N H 2 N F N H O N F F F IC50 = 83.0 nM 569.56 CC(C)C(=O)N1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1 Homo sapiens CHEMBL4057952 single protein format
CHEMBL4860527 OBDepict CH 2 N O H N N NH 2 O H 2 N N H O N Cl IC50 = 84.0 nM 493.96 C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(Cl)ccn3)cc2)c(C(N)=O)n1N Homo sapiens CHEMBL4841670 cell-based format
CHEMBL4782725 OBDepict CH 3 NH O O O N N O N H O N IC50 = 89.0 nM 551.6 CC#CC(=O)Nc1cc2c(Oc3ccc(C(=O)Nc4ccccn4)cc3)ccnc2cc1OCCN1CCOCC1 Homo sapiens CHEMBL4726194 assay format
CHEMBL4873984 OBDepict CH N O N N N H O H 2 N O O H 3 C IC50 = 93.0 nM 469.5 C#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5OC)cc4)[nH]c23)C1 Homo sapiens CHEMBL4843877 cell-based format
CHEMBL4878090 OBDepict CH 3 N O N N N H O H 2 N O IC50 = 97.2 nM 467.53 CC#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c23)CC1 Homo sapiens CHEMBL4843877 cell-based format
CHEMBL3622193 OBDepict H 3 C N N O N H O H 2 N F HN O N CH 3 CH 3 IC50 = 109.0 nM 592.68 CN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4cccc(NC(=O)c5ccc(N(C)C)cc5)c4F)c23)CC1 Homo sapiens CHEMBL3627424 single protein format
CHEMBL4068839 OBDepict CH 2 N O H N N N N H 2 N Cl O N IC50 = 111.2 nM 489.97 C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(OCc4ccccn4)c(Cl)c3)c3c(N)ncnc32)C1 Homo sapiens CHEMBL4050458 assay format
CHEMBL4863836 OBDepict CH 2 N O H N N NH 2 O H 2 N N H O N IC50 = 114.0 nM 535.61 C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(-c4ccccc4)ccn3)cc2)c(C(N)=O)n1N Homo sapiens CHEMBL4841670 cell-based format
CHEMBL3621496 OBDepict CH 3 N N O N H O NH 2 F IC50 = 119.0 nM 430.48 CN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4ccccc4F)c23)CC1 Homo sapiens CHEMBL3627424 single protein format
CHEMBL4090174 OBDepict CH 2 NH O CH 3 N H N N N CH 3 N O CH 3 N H O F H 3 C IC50 = 120.0 nM 579.64 C=CC(=O)Nc1cc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)c4cc(C)ccc4F)ccc2C)C3)ccc1C Homo sapiens CHEMBL4008315 assay format
CHEMBL4852264 OBDepict CH N O N N N H O H 2 N O F IC50 = 121.0 nM 457.47 C#CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5)cc4)[nH]c23)C1 Homo sapiens CHEMBL4843877 cell-based format
CHEMBL4862806 OBDepict CH 3 N N N H 2 N CH 3 NH O F F F F F F IC50 = 126.0 nM 543.47 Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C#Cc1cc(-c2cnn(C)c2)cnc1N Homo sapiens CHEMBL4839602 single protein format
CHEMBL4077588 OBDepict F N HN O N H 2 N N N H N F F F O IC50 = 127.0 nM 583.59 Nc1nccn2c([C@@H]3CCCN(C4CCOCC4)C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12 Homo sapiens CHEMBL4057952 single protein format
CHEMBL4851021 OBDepict H 2 C N O H HN O S N H N O N CH 3 O IC50 = 129.0 nM 539.62 C=CC(=O)N1CC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2ccc(Oc3ccccc3)cc2C)C1 Homo sapiens CHEMBL4818912 single protein format
CHEMBL4074708 OBDepict CH 2 NH O CH 3 N H N N NH H 3 C NH O CH 3 N H O F H 3 C IC50 = 133.0 nM 567.63 C=CC(=O)Nc1cc(Nc2ncc(C(=O)Nc3cc(NC(=O)c4cc(C)ccc4F)ccc3C)c(NC)n2)ccc1C Homo sapiens CHEMBL4008315 assay format
CHEMBL4211949 OBDepict CH 2 NH O H N H 2 C N N H 2 N O IC50 = 174.1 nM 423.48 C=CC(=O)N[C@@H]1Cn2c(c(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1=C Homo sapiens CHEMBL4189699 single protein format
CHEMBL4863078 OBDepict CH 2 N O N N N H O H 2 N O IC50 = 179.0 nM 455.52 C=CC(=O)N1CCC(c2cnn3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]c23)CC1 Homo sapiens CHEMBL4843877 cell-based format
CHEMBL4878421 OBDepict CH 2 N O H N N NH 2 O H 2 N N H O N Br IC50 = 184.0 nM 538.41 C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(Br)ccn3)cc2)c(C(N)=O)n1N Homo sapiens CHEMBL4841670 cell-based format
CHEMBL3621515 OBDepict CH 3 N N O N H O NH 2 CH 3 N H O H 3 C IC50 = 193.0 nM 483.57 CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4cc(C(=O)N5CCN(C)CC5)ccc4c23)c1C Homo sapiens CHEMBL3627424 single protein format
CHEMBL4237800 OBDepict CH 3 N N O N H O NH 2 OH H 3 C H 3 C IC50 = 200.0 nM 506.61 Cc1c(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(C(C)(C)O)C4)cccc1-n1cnc2ccccc2c1=O Homo sapiens CHEMBL4235702 single protein format
CHEMBL4060757 OBDepict F N NH O N NH 2 N N H O N F F F O IC50 = 200.0 nM 585.56 Nc1nccn2c([C@H]3CN(C4CCOCC4)CCO3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12 Homo sapiens CHEMBL4057952 single protein format
CHEMBL4103856 OBDepict CH 2 NH O CH 3 N H N N NH H 3 C NH O CH 3 N H O O O H 3 C CH 3 IC50 = 225.0 nM 595.66 C=CC(=O)Nc1cc(Nc2ncc(C(=O)Nc3cc(NC(=O)c4cc(OC)cc(OC)c4)ccc3C)c(NC)n2)ccc1C Homo sapiens CHEMBL4008315 assay format
CHEMBL4550702 OBDepict CH 3 N N N N N S NH O F F F IC50 = 270.0 nM 406.39 Cn1cc(-c2cnc3c(-c4csc(C(=O)NCC(F)(F)F)c4)cnn3c2)cn1 Homo sapiens CHEMBL4479698 assay format
CHEMBL4068509 OBDepict CH 2 N O N N N O HN N CH 3 Cl Cl O O CH 3 CH 3 IC50 = 272.0 nM 561.47 C=CC(=O)N1CCN(CCCn2c(=O)c(-c3c(Cl)c(OC)cc(OC)c3Cl)cc3cnc(NC)nc32)CC1 Homo sapiens CHEMBL4013840 single protein format
CHEMBL4079601 OBDepict CH 2 NH O CH 3 N H N N NH H 3 C NH O CH 3 N H O O O IC50 = 279.0 nM 593.64 C=CC(=O)Nc1cc(Nc2ncc(C(=O)Nc3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3C)c(NC)n2)ccc1C Homo sapiens CHEMBL4008315 assay format
CHEMBL285063 OBDepict CH 2 HN O N N N H Br IC50 = 303.0 nM 369.22 C=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Homo sapiens CHEMBL1026517 cell-based format
CHEMBL4062498 OBDepict CH 3 O N O O H N N N H 2 N F N H O N F F F IC50 = 331.0 nM 573.51 COCC(=O)N1CCO[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1 Homo sapiens CHEMBL4057952 single protein format
CHEMBL4874550 OBDepict CH 2 N O H N N NH 2 O H 2 N N H O N O H 3 C IC50 = 338.0 nM 489.54 C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(OC)ccn3)cc2)c(C(N)=O)n1N Homo sapiens CHEMBL4841670 cell-based format
CHEMBL460472 OBDepict CH 3 O N O N N H O CH 3 N O N OH CH 3 H 3 C IC50 = 363.0 nM 539.59 COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1 Homo sapiens CHEMBL985575 single protein format
CHEMBL4059791 OBDepict CH 2 HN O CH 3 N H N N N CH 3 N O CH 3 HN O O O IC50 = 382.0 nM 591.63 C=CC(=O)Nc1cc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)c4ccc5c(c4)OCO5)ccc2C)C3)ccc1C Homo sapiens CHEMBL4008315 assay format
CHEMBL383899 OBDepict O N H N H N N N H F F F IC50 = 386.0 nM 413.4 O=C(Nc1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1)C1CC1 Homo sapiens CHEMBL921089 single protein format
CHEMBL4175202 OBDepict H 2 C N O N O N N N CH 3 IC50 = 399.0 nM 541.66 C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6ccc(N7CCN(C)CC7)cc6)cc5c43)cc21 Homo sapiens CHEMBL4130921 assay format