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Q9UM73 | ALK_HUMAN | ALK tyrosine kinase receptor (ALK)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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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
CHEMBL3286826 OBDepict CH 3 O N N H 3 C N N N O H 3 C H 2 N O H H 3 C F Ki < 0.08 nM 412.43 COc1nn(C)c2c1-c1cnc(N)c(n1)O[C@H](C)c1cc(F)ccc1C(=O)N(C)C2 Homo sapiens CHEMBL3293161 assay format
CHEMBL3286825 OBDepict CH 3 O N N H 3 C N N O H 3 C H 2 N O H H 3 C F Ki = 0.1 nM 411.44 COc1nn(C)c2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1C(=O)N(C)C2 Homo sapiens CHEMBL3293162 assay format
CHEMBL3286829 OBDepict F H CH 3 O O N CH 3 NH 2 N N CH 3 N Ki < 0.1 nM 421.48 C[C@H]1Oc2cc(cnc2N)-c2c(C3CC3)nn(C)c2CN(C)C(=O)c2ccc(F)cc21 Homo sapiens CHEMBL3293162 assay format
CHEMBL3286823 OBDepict F H CH 3 O O N CH 3 N NH 2 N N CH 3 N H 3 C Ki = 0.1 nM 396.43 Cc1nn(C)c2c1-c1cnc(N)c(n1)O[C@H](C)c1cc(F)ccc1C(=O)N(C)C2 Homo sapiens CHEMBL3293162 assay format
CHEMBL3286826 OBDepict CH 3 O N N H 3 C N N N O H 3 C H 2 N O H H 3 C F IC50 = 0.11 nM 412.43 COc1nn(C)c2c1-c1cnc(N)c(n1)O[C@H](C)c1cc(F)ccc1C(=O)N(C)C2 Homo sapiens CHEMBL3293163 cell-based format
CHEMBL3286828 OBDepict F H CH 3 O O N CH 3 N NH 2 N S O O CH 3 Ki = 0.12 nM 456.5 C[C@H]1Oc2nc(cnc2N)-c2cc(S(C)(=O)=O)ccc2CN(C)C(=O)c2ccc(F)cc21 Homo sapiens CHEMBL3293162 assay format
CHEMBL3892880 OBDepict N N H O H 3 C CH 3 Br N NH 2 IC50 = 0.168 nM 463.38 CC1(C)c2cc(N3CCC(N)CC3)c(Br)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21 Homo sapiens CHEMBL3887074 single protein format
CHEMBL3823235 OBDepict OH N N O N H CH 3 N N HN Cl P O H 3 C CH 3 IC50 = 0.18 nM 531.0 COc1cc(N2CCN(CCO)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL3286825 OBDepict CH 3 O N N H 3 C N N O H 3 C H 2 N O H H 3 C F IC50 = 0.18 nM 411.44 COc1nn(C)c2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1C(=O)N(C)C2 Homo sapiens CHEMBL3293163 cell-based format
CHEMBL3822611 OBDepict H 3 C O N H N N N N N H H 3 C Cl P O H 3 C CH 3 IC50 = 0.18 nM 500.97 COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL3128069 OBDepict HO OH CH 3 N S CH 3 N O H 2 N CH 3 H N F N N Ki = 0.2 nM 470.53 Cc1nc([C@](C)(O)CO)sc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1 Homo sapiens CHEMBL3128775 assay format
CHEMBL3687207 OBDepict CH 3 N N NH O NH 2 N H H CH 3 HO H 3 C N N N H 3 C IC50 = 0.21 nM 564.78 CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(C)c2)nc1N[C@H]1CC[C@@](C)(O)CC1 Homo sapiens CHEMBL3706338 cell-based format
CHEMBL3286823 OBDepict F H CH 3 O O N CH 3 N NH 2 N N CH 3 N H 3 C IC50 = 0.21 nM 396.43 Cc1nn(C)c2c1-c1cnc(N)c(n1)O[C@H](C)c1cc(F)ccc1C(=O)N(C)C2 Homo sapiens CHEMBL3293163 cell-based format
CHEMBL3286815 OBDepict N N H N N O NH 2 O F Ki = 0.22 nM 365.37 N#Cc1[nH]nc2c1-c1cnc(N)c(c1)OCc1cc(F)ccc1OCCC2 Homo sapiens CHEMBL3293161 assay format
CHEMBL3687206 OBDepict CH 3 N N NH O NH 2 N H H CH 3 HO H 3 C N N H 3 C IC50 = 0.22 nM 481.65 CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@@](C)(O)CC1 Homo sapiens CHEMBL3706338 cell-based format
CHEMBL3823549 OBDepict CH 3 O N H O N N N H N Cl P O CH 3 CH 3 IC50 = 0.22 nM 530.01 COc1cc(OCCCN2CCCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL3889838 OBDepict CH 3 N N HN O NH 2 NH H H HO N O CH 3 N CH 3 IC50 = 0.23 nM 483.62 CCc1nc(C(N)=O)c(Nc2ccc(OC)c(N3CCN(C)CC3)c2)nc1N[C@H]1CC[C@H](O)CC1 Homo sapiens CHEMBL3706338 cell-based format
CHEMBL3823416 OBDepict H 3 C O N H N N N O N H Cl P O H 3 C CH 3 IC50 = 0.24 nM 487.93 COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL3687201 OBDepict CH 3 N N NH O NH 2 N H H H HO H 3 C N N H 3 C IC50 = 0.24 nM 467.62 CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@H](O)CC1 Homo sapiens CHEMBL3706338 cell-based format
CHEMBL3687211 OBDepict H 3 C O N N H N N N NH O H 2 N H H 3 C N CH 3 H HO IC50 = 0.26 nM 580.78 CCOc1cc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c(CC)nc2C(N)=O)ccc1N1CCC(N2CCN(C)CC2)CC1 Homo sapiens CHEMBL3706338 cell-based format
CHEMBL3687204 OBDepict CH 3 N N NH O NH 2 N H H H HO N H 3 C IC50 = 0.26 nM 452.6 CCc1nc(C(N)=O)c(Nc2ccc(C3CCN(C)CC3)cc2)nc1N[C@H]1CC[C@H](O)CC1 Homo sapiens CHEMBL3706338 cell-based format
CHEMBL3687202 OBDepict CH 3 N N NH O NH 2 N H H H HO H 3 C N N N H 3 C IC50 = 0.26 nM 550.75 CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(C)c2)nc1N[C@H]1CC[C@H](O)CC1 Homo sapiens CHEMBL3706338 cell-based format
CHEMBL3824327 OBDepict H 3 C O N H N N N N N H Cl P N O H 3 C CH 3 H 3 C IC50 = 0.28 nM 584.11 COc1cc(N2CCN(C3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL4286522 OBDepict F H CH 3 O O N CH 3 NH 2 N + N CH 3 N H 3 C H Ki = 0.29 nM 396.45 Cc1[nH][n+](C)c2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1C(=O)N(C)C2 Homo sapiens CHEMBL4266257 single protein format
CHEMBL3286820 OBDepict F H CH 3 O O N CH 3 NH 2 N N CH 3 N H 3 C Ki = 0.29 nM 395.44 Cc1nn(C)c2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1C(=O)N(C)C2 Homo sapiens CHEMBL3293162 assay format
CHEMBL3929615 OBDepict CH 3 N O CH 3 H 3 C N N H N OH IC50 = 0.3 nM 496.66 CCc1cc2c(cc1N1CCC(N3CCC(O)CC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O Homo sapiens CHEMBL3887074 single protein format
CHEMBL3953815 OBDepict H 3 C N O CH 3 CH 3 N N H N IC50 = 0.3 nM 452.6 CCc1cc2c(cc1N1CCC(N3CCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O Homo sapiens CHEMBL3887074 single protein format
CHEMBL3917178 OBDepict N N H O H 3 C H 3 C Br N H H 3 C N H CH 3 IC50 = 0.3 nM 531.5 C[C@H]1CN(c2cc3c(cc2Br)C(=O)c2c([nH]c4cc(C#N)ccc24)C3(C)C)C[C@@H](C)N1C1CCC1 Homo sapiens CHEMBL3887074 single protein format
CHEMBL3128066 OBDepict H 3 C N OH N S H 3 C N O NH 2 H 3 C H N F N N Ki = 0.3 nM 481.56 Cc1nc(C2(O)CN(C)C2)sc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1 Homo sapiens CHEMBL3128775 assay format
CHEMBL3218856 OBDepict CH 3 O N N N H N N H N Cl H H H O O H 2 N H IC50 = 0.31 nM 578.12 COc1cc(N2CCC(N3CCOCC3)CC2)ccc1-c1nc2c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)c(Cl)cnc2[nH]1 Homo sapiens CHEMBL3226250 single protein format
CHEMBL3824304 OBDepict H 3 C O N H P O H 3 C CH 3 N N N H Cl S O O CH 3 H 3 C IC50 = 0.31 nM 508.97 COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL3946496 OBDepict HC N O CH 3 CH 3 N N H N IC50 = 0.32 nM 448.57 C#Cc1cc2c(cc1N1CCN(C3CCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O Homo sapiens CHEMBL3887074 single protein format
CHEMBL3915577 OBDepict N N H O O Br N N CH 3 H 3 C CH 3 IC50 = 0.32 nM 547.5 CC(C)(C)N1CCN(c2cc3c(cc2Br)C(=O)c2c([nH]c4cc(C#N)ccc24)C32CCOCC2)CC1 Homo sapiens CHEMBL3887074 single protein format
CHEMBL3823256 OBDepict H 3 C O N H P O H 3 C CH 3 N N N H Cl S O O CH 3 IC50 = 0.33 nM 480.91 COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(C)(=O)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL3823107 OBDepict CH 3 O N H N N N H N HN H 3 C CH 3 Cl P O CH 3 CH 3 IC50 = 0.33 nM 515.0 COc1cc(N2CC[C@@H](N(C)C)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL3687198 OBDepict CH 3 O N N H N N N H 3 C HN O H 2 N H CH 3 H OH IC50 = 0.33 nM 483.62 CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(OC)c2)nc1N[C@H]1CC[C@H](O)CC1 Homo sapiens CHEMBL3706338 cell-based format
CHEMBL3823603 OBDepict H 3 C O N H O N N N HN H 3 C Cl P O H 3 C CH 3 IC50 = 0.33 nM 501.96 COc1cc(OC2CCN(C)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL3286828 OBDepict F H CH 3 O O N CH 3 N NH 2 N S O O CH 3 IC50 = 0.34 nM 456.5 C[C@H]1Oc2nc(cnc2N)-c2cc(S(C)(=O)=O)ccc2CN(C)C(=O)c2ccc(F)cc21 Homo sapiens CHEMBL3293163 cell-based format
CHEMBL3687209 OBDepict CH 3 N N HN O NH 2 N H H H OH N F F F N H 3 C H 3 C IC50 = 0.34 nM 535.62 CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N(C)C)C3)c(C(F)(F)F)c2)nc1N[C@H]1CC[C@H](O)CC1 Homo sapiens CHEMBL3706338 cell-based format
CHEMBL3286814 OBDepict N N H N N O O NH 2 F Ki = 0.36 nM 351.34 N#Cc1[nH]nc2c1-c1cnc(N)c(c1)OCc1cc(F)ccc1OCC2 Homo sapiens CHEMBL3293161 assay format
CHEMBL3823017 OBDepict H 3 C O N H N N N N H HO Cl P O H 3 C CH 3 IC50 = 0.36 nM 501.96 COc1cc(N2CCC(O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL3545311 OBDepict H 3 C O N H N N N N H N Cl P N O H 3 C CH 3 H 3 C IC50 = 0.37 nM 584.11 COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL3687193 OBDepict CH 3 O N N H N N N HN O H 2 N H CH 3 N H 3 C H OH IC50 = 0.37 nM 566.75 CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1N[C@H]1CC[C@H](O)CC1 Homo sapiens CHEMBL3706338 cell-based format
CHEMBL3286816 OBDepict F O O NH 2 N N N H 3 C Ki = 0.38 nM 354.39 Cn1ncc2c1-c1cnc(N)c(c1)OCc1cc(F)ccc1OCCC2 Homo sapiens CHEMBL3293161 assay format
CHEMBL3823190 OBDepict H 3 C O N H N N N N H H 3 C Cl P O H 3 C CH 3 IC50 = 0.38 nM 499.98 COc1cc(C2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL3823296 OBDepict H 3 C O N H N N N N H N F P N O H 3 C CH 3 H 3 C IC50 = 0.39 nM 567.65 COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(F)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL3944715 OBDepict N N H O H 3 C CH 3 Cl N N O IC50 = 0.391 nM 489.02 CC1(C)c2cc(N3CCC(N4CCOCC4)CC3)c(Cl)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21 Homo sapiens CHEMBL3887074 single protein format
CHEMBL3286827 OBDepict F H CH 3 O O N CH 3 NH 2 N S O O CH 3 Ki = 0.4 nM 455.51 C[C@H]1Oc2cc(cnc2N)-c2cc(S(C)(=O)=O)ccc2CN(C)C(=O)c2ccc(F)cc21 Homo sapiens CHEMBL3293162 assay format
CHEMBL3128064 OBDepict F N O H 3 C H N N NH 2 N S CH 3 N HO H 3 C H 3 C Ki = 0.4 nM 454.53 Cc1nc(C(C)(C)O)sc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1 Homo sapiens CHEMBL3128775 assay format
CHEMBL514873 OBDepict CH 3 O N H N N N O NH N N H H 3 C CH 3 S O H 2 N IC50 = 0.4 nM 506.59 COc1cc2c(cc1Nc1nc(Nc3ccsc3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CC2 Homo sapiens CHEMBL1025725 single protein format
CHEMBL3986700 OBDepict CH 3 N O CH 3 H 3 C N N H O N H 3 C CH 3 N IC50 = 0.4 nM 483.62 CCc1cc2c(cc1N1CCN(C(=O)CN(C)C)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O Homo sapiens CHEMBL3887074 single protein format
CHEMBL3936548 OBDepict N N H O H 3 C H 3 C N O N CH 3 CH 3 O IC50 = 0.4 nM 522.65 CC(C)OCC#Cc1cc2c(cc1N1CCN(C3COC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O Homo sapiens CHEMBL3887074 single protein format
CHEMBL3823577 OBDepict H 3 C O N H N N N N H N CH 3 P N O H 3 C CH 3 H 3 C IC50 = 0.42 nM 563.69 COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(C)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL3938280 OBDepict H N N N N HO O CH 3 CH 3 N H Cl IC50 = 0.456 nM 379.81 CC1(C)c2cc(O)c(-c3nn[nH]n3)cc2C(=O)c2c1[nH]c1cc(Cl)ccc21 Homo sapiens CHEMBL3887074 single protein format
CHEMBL4790570 OBDepict CH 3 O F N O N H 3 C CH 3 N CH 3 H N IC50 = 0.49 nM 446.53 COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1C1CCN(C)CC1 Homo sapiens CHEMBL4705469 cell-based format
CHEMBL3824290 OBDepict H 3 C O N H N N N N H N Cl P N O H 3 C CH 3 H 3 C IC50 = 0.49 nM 598.13 COc1cc(N2CCC(N3CCCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL3822557 OBDepict H 3 C O N H N N N N H N Cl P O O H 3 C CH 3 IC50 = 0.49 nM 571.06 COc1cc(N2CCC(N3CCOCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL3687210 OBDepict CH 3 N N NH O NH 2 N H H H HO H 3 C N N H 3 C CH 3 IC50 = 0.49 nM 495.67 CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C(C)C)CC3)c(C)c2)nc1N[C@H]1CC[C@H](O)CC1 Homo sapiens CHEMBL3706338 cell-based format
CHEMBL3969707 OBDepict N N H O H 3 C CH 3 N N N IC50 = 0.4938 nM 453.59 CC1(C)c2cc(N3CCC(N4CCCCC4)CC3)ncc2C(=O)c2c1[nH]c1cc(C#N)ccc21 Homo sapiens CHEMBL3887074 single protein format
CHEMBL3669137 OBDepict H 3 C N O N H CH 3 H 3 C N N S O NH 2 O F F F IC50 = 0.5 nM 585.65 CC(C)Oc1cc(C2CCN(C)CC2)ccc1Nc1ncc2sc(C(N)=O)c(-c3ccccc3OC(F)(F)F)c2n1 Homo sapiens CHEMBL3705810 single protein format
CHEMBL507625 OBDepict CH 3 O N H N N N N HN N H CH 3 CH 3 O H 2 N F IC50 = 0.5 nM 518.6 COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1 Homo sapiens CHEMBL1033170 single protein format
CHEMBL3669142 OBDepict CH 3 N N N N H CH 3 H 3 C N N S O NH 2 O F F F IC50 = 0.5 nM 573.65 CCN1CCC(c2cc(Nc3ncc4sc(C(N)=O)c(-c5ccccc5OC(F)(F)F)c4n3)n(C(C)C)n2)CC1 Homo sapiens CHEMBL3705810 single protein format
CHEMBL464552 OBDepict CH 3 HN O HN F N N H N N H O N CH 3 O N CH 3 H 3 C IC50 = 0.5 nM 532.58 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)nc2[nH]ccc12 Homo sapiens CHEMBL4378233 single protein format
CHEMBL1946804 OBDepict CH 3 O HN N N N N N H CH 3 Cl N S H 3 C O O H 3 C IC50 = 0.51 nM 558.11 COc1cc(N2CCN(C)CC2)c2cc1Nc1ncc(Cl)c(n1)Nc1cc(ccc1N(C)S(C)(=O)=O)CC2 Homo sapiens CHEMBL1947647 single protein format
CHEMBL3823031 OBDepict CH 3 O N H N N N HN N Cl P O CH 3 CH 3 IC50 = 0.53 nM 555.06 COc1cc(N2CCC(N3CCCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL3932266 OBDepict CH 3 N CH 3 O O CH 3 CH 3 H 3 C O N H N IC50 = 0.53 nM 443.55 CCN(CC)CCOc1cc2c(cc1C(C)=O)C(=O)c1c([nH]c3cc(C#N)ccc13)C2(C)C Homo sapiens CHEMBL3887074 single protein format
CHEMBL4758611 OBDepict H 3 C O H 3 C N H NH N N N H Cl S O O H 3 C CH 3 IC50 = 0.54 nM 516.07 CC(C)Oc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCNC2 Homo sapiens CHEMBL4716187 single protein format
CHEMBL3823916 OBDepict H 3 C O N H O N N N H N Cl H 3 C P O H 3 C CH 3 IC50 = 0.54 nM 515.98 COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL3286832 OBDepict N N N N N N O CH 3 NH 2 O H CH 3 F Ki = 0.56 nM 443.44 C[C@H]1Oc2nc(cnc2N)-c2c(nc3ccc(C#N)cn23)CN(C)C(=O)c2ccc(F)cc21 Homo sapiens CHEMBL3293162 assay format
CHEMBL3286818 OBDepict N N CH 3 N N O O H 2 N H H 3 C F Ki = 0.57 nM 379.4 C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CCOc2ccc(F)cc21 Homo sapiens CHEMBL3293162 assay format
CHEMBL3915056 OBDepict N N H O H 3 C H 3 C N N IC50 = 0.58 nM 502.66 CC1(C)c2cc(N3CCN(C4CCC4)CC3)c(C#CC3CCC3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21 Homo sapiens CHEMBL3887074 single protein format
CHEMBL3822475 OBDepict H 3 C O N H N N N N H N Cl S N O O CH 3 H 3 C IC50 = 0.59 nM 586.16 COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(C)(=O)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL3824007 OBDepict H 3 C O N H N N N N N H Cl O H 3 C P O H 3 C CH 3 IC50 = 0.59 nM 528.98 COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL3936102 OBDepict N N H O H 3 C CH 3 O N O O IC50 = 0.59 nM 457.53 CC1(C)c2cc(N3CCOCC3)c(OC3CCOC3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21 Homo sapiens CHEMBL3887074 single protein format
CHEMBL3128067 OBDepict F N O CH 3 H N N H 2 N N S H 3 C N OH O Ki = 0.6 nM 482.54 Cc1nc(C2(O)CCOC2)sc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1 Homo sapiens CHEMBL3128775 assay format
CHEMBL560733 OBDepict N N N N CH 3 HO NH N N HO CH 3 H IC50 = 0.6 nM 441.5 Cc1cc(O)cc(-c2nn(CC#N)cc2-c2cc(NC[C@H](C)O)nc(-c3cccnc3)n2)c1 Homo sapiens CHEMBL3399441 single protein format
CHEMBL3939751 OBDepict OH NH N CH 3 CH 3 H 3 C O N H N IC50 = 0.6 nM 470.62 CCc1cc2c(cc1N1CCC(NCCCO)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O Homo sapiens CHEMBL3887074 single protein format
CHEMBL3286819 OBDepict N N CH 3 N N O H 2 N O H H 3 C F Ki = 0.62 nM 393.42 C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CCCOc2ccc(F)cc21 Homo sapiens CHEMBL3293162 assay format
CHEMBL4799217 OBDepict HO N O F H 3 C N O CH 3 H 3 C N H N IC50 = 0.62 nM 476.55 COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1C1CCN(CCO)CC1 Homo sapiens CHEMBL4705469 cell-based format
CHEMBL3397300 OBDepict H 3 C O N H N N N N H N Cl H 3 C H 3 C P O H 3 C CH 3 IC50 = 0.62 nM 529.03 COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3399437 single protein format
CHEMBL3218859 OBDepict CH 3 O N N N H N N H N Cl CH 3 H H H O NH 2 H IC50 = 0.65 nM 522.05 COc1cc(CN2CCN(C)CC2)ccc1-c1nc2c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)c(Cl)cnc2[nH]1 Homo sapiens CHEMBL3226250 single protein format
CHEMBL3823268 OBDepict H 3 C O N H P O H 3 C CH 3 N N N H Cl O NH 2 IC50 = 0.68 nM 445.85 COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2C(N)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL3218855 OBDepict CH 3 O N N N H N N N H H 3 C Cl H H H O NH 2 H IC50 = 0.69 nM 508.03 COc1cc(N2CCN(C)CC2)ccc1-c1nc2c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)c(Cl)cnc2[nH]1 Homo sapiens CHEMBL3226250 single protein format
CHEMBL3286830 OBDepict N N H 3 C N N N O CH 3 NH 2 O H CH 3 F Ki = 0.7 nM 406.42 C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21 Homo sapiens CHEMBL3293162 assay format
CHEMBL4436406 OBDepict N N CH 3 N N N H 3 C O O H 2 N H H 3 C F Ki = 0.7 nM 420.45 C[C@H]1Oc2cc(cnc2N)Cc2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21 Homo sapiens CHEMBL4378243 single protein format
CHEMBL3286811 OBDepict CH 3 O N N N O H 2 N CH 3 H N F N N Ki = 0.7 nM 407.41 COc1ncccc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)n1 Homo sapiens CHEMBL3293162 assay format
CHEMBL3286820 OBDepict F H CH 3 O O N CH 3 NH 2 N N CH 3 N H 3 C IC50 = 0.7 nM 395.44 Cc1nn(C)c2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1C(=O)N(C)C2 Homo sapiens CHEMBL3293163 cell-based format
CHEMBL3786892 OBDepict CH 3 O N H CH 3 CH 3 N N NH 2 N H Cl S O O H 3 C CH 3 IC50 = 0.7 nM 530.09 COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCC(N)C2(C)C Homo sapiens CHEMBL3791603 single protein format
CHEMBL3902757 OBDepict CH 3 N O CH 3 H 3 C N N H N N CH 3 IC50 = 0.7 nM 495.67 CCc1cc2c(cc1N1CCC(N3CCN(C)CC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O Homo sapiens CHEMBL3887074 single protein format
CHEMBL3824130 OBDepict H 3 C O N H N N N N N H H 3 C Cl P O H 3 C CH 3 IC50 = 0.72 nM 515.0 COc1cc(N2CCCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL4203266 OBDepict H 3 C O N H N N N NH 2 Cl N H Ki = 0.75 nM 448.96 COc1cc(N2CCC(N)CC2)ccc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1 Homo sapiens CHEMBL4378233 single protein format
CHEMBL3824318 OBDepict H 3 C O N H N N N N H N Cl P N O CH 3 CH 3 H 3 C IC50 = 0.75 nM 598.13 CCOc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL3218857 OBDepict CH 3 O N N N H N N H N Cl H H H N O NH 2 H H 3 C IC50 = 0.76 nM 591.16 COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1-c1nc2c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)c(Cl)cnc2[nH]1 Homo sapiens CHEMBL3226250 single protein format
CHEMBL3822645 OBDepict CH 3 O N H N N N N HN Cl N H P O CH 3 CH 3 IC50 = 0.76 nM 552.02 COc1cc(-c2cnn(C3CCNCC3)c2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL3687197 OBDepict CH 3 N N NH O NH 2 N H H H HO N F F F N H 3 C IC50 = 0.77 nM 521.59 CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(C(F)(F)F)c2)nc1N[C@H]1CC[C@H](O)CC1 Homo sapiens CHEMBL3706338 cell-based format
CHEMBL3960260 OBDepict N F N H O CH 3 H 3 C N N CH 3 CH 3 IC50 = 0.77 nM 430.53 CC(C)N1CCN(c2ccc3c(c2)C(C)(C)c2[nH]c4c(F)c(C#N)ccc4c2C3=O)CC1 Homo sapiens CHEMBL3887074 single protein format
CHEMBL3824326 OBDepict H 3 C O N H P O H 3 C CH 3 N N N H Cl O CH 3 IC50 = 0.79 nM 444.86 COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2C(C)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL3824246 OBDepict H 3 C O N H N N N NH N Cl N O NH 2 H 3 C IC50 = 0.8 nM 551.1 COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2C(N)=O)n1 Homo sapiens CHEMBL3824709 single protein format
CHEMBL3734938 OBDepict H 3 C N O H 3 C CH 3 N N H O NH O N IC50 = 0.8 nM 511.63 CCc1cc2c(cc1N1CCN(C(=O)C3COCCN3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O Homo sapiens CHEMBL3738493 single protein format
CHEMBL3929315 OBDepict N N H O CH 3 H 3 C N N N CH 3 O IC50 = 0.81 nM 451.53 Cn1cc(-c2cc3c(cc2N2CCOCC2)C(C)(C)c2[nH]c4cc(C#N)ccc4c2C3=O)cn1 Homo sapiens CHEMBL3887074 single protein format