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P08922 | ROS1_HUMAN | Proto-oncogene tyrosine-protein kinase ROS (ROS1)

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
CHEMBL3128069 OBDepict HO OH CH 3 N S CH 3 N O H 2 N CH 3 H N F N N Ki = 0.02 nM 470.53 Cc1nc([C@](C)(O)CO)sc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1 Homo sapiens CHEMBL3129262 single protein format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 0.07 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL1057208 single protein format
CHEMBL4436406 OBDepict N N CH 3 N N N H 3 C O O H 2 N H H 3 C F Ki < 0.07 nM 420.45 C[C@H]1Oc2cc(cnc2N)Cc2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21 Homo sapiens CHEMBL4378245 single protein format
CHEMBL3286830 OBDepict N N H 3 C N N N O CH 3 NH 2 O H CH 3 F Ki = 0.1 nM 406.42 C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21 Homo sapiens CHEMBL4266245 single protein format
CHEMBL3671311 OBDepict CH 3 N CH 3 N O N N H NH O N H H 3 C H F F F F IC50 = 0.205 nM 542.54 C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN(C)C)C3=O Homo sapiens CHEMBL3707707 single protein format
CHEMBL4454732 OBDepict H 3 C N N N H N N NH O H 2 N H CH 3 CH 3 H HO HO O O HO IC50 = 0.23 nM 583.69 CC(C)c1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)cc2)nc1N[C@H]1CC[C@H](O)CC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL4418513 assay format
CHEMBL3687195 OBDepict CH 3 N N N H N N HN O NH 2 H CH 3 H 3 C H OH IC50 = 0.23 nM 467.62 CC(C)c1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)cc2)nc1N[C@H]1CC[C@H](O)CC1 Homo sapiens CHEMBL3706337 single protein format
CHEMBL1980995 OBDepict H 3 C NH O O N CH 3 CH 3 N O N H IC50 = 0.248 nM 466.54 CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL3707707 single protein format
CHEMBL4438727 OBDepict HO O O HO CH 3 O N N H N N N H 3 C NH O NH 2 CH 3 CH 3 O IC50 = 0.29 nM 599.69 COc1cc(Nc2nc(NC3CCOCC3)c(C(C)C)nc2C(N)=O)ccc1N1CCN(C)CC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL4418513 assay format
CHEMBL3687223 OBDepict CH 3 O N N H N N N H 3 C NH O NH 2 CH 3 CH 3 O IC50 = 0.29 nM 483.62 COc1cc(Nc2nc(NC3CCOCC3)c(C(C)C)nc2C(N)=O)ccc1N1CCN(C)CC1 Homo sapiens CHEMBL3706337 single protein format
CHEMBL3671309 OBDepict H 3 C N N O N N H HN O N H CH 3 H F F F F IC50 = 0.3 nM 568.58 C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(C1CCN(C)CC1)C3=O Homo sapiens CHEMBL3707707 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 = 0.37 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 CHEMBL3706337 single protein format
CHEMBL3687191 OBDepict CH 3 N N NH O NH 2 N H H H HO N N H 3 C IC50 = 0.4 nM 453.59 CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)cc2)nc1N[C@H]1CC[C@H](O)CC1 Homo sapiens CHEMBL3706337 single protein format
CHEMBL4441604 OBDepict HO O O OH CH 3 N N NH O NH 2 N H H H HO N N H 3 C IC50 = 0.4 nM 569.66 CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)cc2)nc1N[C@H]1CC[C@H](O)CC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL4418513 assay format
CHEMBL4591953 OBDepict CH 3 N N N H N N HN O NH 2 CH 3 H 3 C O HO O O HO IC50 = 0.41 nM 569.66 CC(C)c1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)cc2)nc1NC1CCOCC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL4418513 assay format
CHEMBL3687224 OBDepict H 3 C N N N H N N NH O H 2 N CH 3 CH 3 O IC50 = 0.41 nM 453.59 CC(C)c1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)cc2)nc1NC1CCOCC1 Homo sapiens CHEMBL3706337 single protein format
CHEMBL4470529 OBDepict CH 3 O NH N N N O N N H Cl N H 3 C H 3 C S O O H 3 C H 3 C IC50 = 0.43 nM 588.13 COc1cc(N2CCN(CCN(C)C)C2=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Homo sapiens CHEMBL4348478 assay format
CHEMBL3671310 OBDepict CH 3 N CH 3 N O O N N H NH O N H H 3 C H F F F F IC50 = 0.436 nM 556.52 C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CCN(C)C)C3=O Homo sapiens CHEMBL3707707 single protein format
CHEMBL3687221 OBDepict H 3 C N N N N H N N NH O H 2 N CH 3 CH 3 O IC50 = 0.51 nM 536.73 CC(C)c1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)nc1NC1CCOCC1 Homo sapiens CHEMBL3706337 single protein format
CHEMBL3687222 OBDepict CH 3 N NH N O NH 2 N H O F N N H 3 C IC50 = 0.58 nM 457.55 CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(F)c2)nc1NC1CCOCC1 Homo sapiens CHEMBL3706337 single protein format
CHEMBL4461418 OBDepict HO O O OH CH 3 N NH N O NH 2 N H O F N N H 3 C IC50 = 0.58 nM 573.63 CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(F)c2)nc1NC1CCOCC1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL4418513 assay format
CHEMBL601719 OBDepict NH 2 N O CH 3 H N N Cl Cl F HN Ki = 0.6 nM 450.35 C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl Homo sapiens CHEMBL4266244 single protein 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 = 0.65 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 CHEMBL3706337 single protein format
CHEMBL3671318 OBDepict CH 3 N H 3 C N O N N H HN O N H CH 3 F F IC50 = 0.688 nM 506.56 CC(Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CCN(C)C)C3 Homo sapiens CHEMBL3707707 single protein format
CHEMBL2403108 OBDepict CH 3 O H 3 C NH H 3 C N N N H N H Cl S O O H 3 C H 3 C Ki = 0.7 nM 558.15 Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCNCC1 Homo sapiens CHEMBL4266244 single protein format
CHEMBL4562805 OBDepict CH 3 O HN N H N N N O N H Cl O NH O H 3 C IC50 = 0.73 nM 511.97 COc1cc(NC(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Homo sapiens CHEMBL4400321 assay format
CHEMBL4573193 OBDepict H 3 C O N H N N N O N NH Cl O H 2 N S O O H 3 C CH 3 IC50 = 0.76 nM 574.06 COc1cc(N2CCN(CC(N)=O)C2=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Homo sapiens CHEMBL4348478 assay format
CHEMBL3687212 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 = 0.78 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 CHEMBL3706337 single protein 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 = 0.86 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 CHEMBL3706337 single protein format
CHEMBL3687194 OBDepict CH 3 N N NH O NH 2 N H H H HO N N N H 3 C IC50 = 0.86 nM 536.73 CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)nc1N[C@H]1CC[C@H](O)CC1 Homo sapiens CHEMBL3706337 single protein format
CHEMBL4448400 OBDepict H 3 C O N H NH N N N O N H Cl NH O H 3 C IC50 = 0.97 nM 495.97 COc1cc(NC(=O)N2CCCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Homo sapiens CHEMBL4400321 assay format
CHEMBL1684800 OBDepict H 3 C O N N NH 2 N H O CH 3 N H NH O Cl F F F IC50 < 1.0 nM 572.98 COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)ccc3C)c2N)cc1 Homo sapiens CHEMBL1687375 single protein format
CHEMBL3687225 OBDepict CH 3 N NH N O NH 2 N H O H 3 C N N N H 3 C IC50 = 1.2 nM 536.73 CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C4CCN(C)CC4)CC3)c(C)c2)nc1NC1CCOCC1 Homo sapiens CHEMBL3706337 single protein format
CHEMBL3687215 OBDepict CH 3 N NH N O NH 2 N H O H 3 C N N N H 3 C IC50 = 1.3 nM 536.73 CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(C)c2)nc1NC1CCOCC1 Homo sapiens CHEMBL3706337 single protein format
CHEMBL3687217 OBDepict CH 3 N N N CH 3 N H N N NH O H 2 N Cl H H HO IC50 = 1.6 nM 557.14 Cc1cc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c(Cl)nc2C(N)=O)ccc1N1CCC(N2CCN(C)CC2)CC1 Homo sapiens CHEMBL3706337 single protein format
CHEMBL4468370 OBDepict OH N N N H O O N H H 3 C N N NH Cl NH O H 3 C IC50 = 1.7 nM 555.04 COc1cc(NC(=O)N2CCN(CCO)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Homo sapiens CHEMBL4400321 assay format
CHEMBL3921664 OBDepict F N N H N N N H Cl S O O H 3 C H 3 C IC50 = 1.8 nM 447.92 CC(C)S(=O)(=O)c1ccccc1Nc1nc(N/N=C/c2ccc(F)cc2)ncc1Cl Homo sapiens CHEMBL3870416 single protein format
CHEMBL3301622 OBDepict CH 3 O N N H N N N HN O H 2 N CH 3 N H 3 C O IC50 = 1.9 nM 552.72 CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1 Homo sapiens CHEMBL3706337 single protein format
CHEMBL3687220 OBDepict CH 3 N NH N O NH 2 N H O N N N H 3 C IC50 = 1.9 nM 522.7 CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)nc1NC1CCOCC1 Homo sapiens CHEMBL3706337 single protein 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 = 1.9 nM 529.03 COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3399436 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 = 1.9 nM 584.11 COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 Homo sapiens CHEMBL3825138 single protein format
CHEMBL4559485 OBDepict CH 3 N H 3 C N O N O H 2 N H 3 C H Cl Cl F IC50 = 2.3 nM 465.36 C[C@@H](Oc1cc(-c2ccn(CCN(C)C)c(=O)c2)cnc1N)c1c(Cl)ccc(F)c1Cl Homo sapiens CHEMBL4409454 assay format
CHEMBL3894726 OBDepict H 3 C O N N H N N N H Cl S O O H 3 C H 3 C IC50 = 2.3 nM 459.96 COc1ccc(/C=N/Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1 Homo sapiens CHEMBL3870416 single protein format
CHEMBL4753590 OBDepict CH 3 O N H S N N O HN Cl N HN CH 3 CH 3 S O O CH 3 IC50 = 2.3 nM 589.14 COc1cc(SCc2ccc(CN(C)C)o2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1 Homo sapiens CHEMBL4737906 assay format
CHEMBL3671320 OBDepict CH 3 N N O H 3 C N N H NH O N H H 3 C F F F F IC50 = 2.365 nM 582.6 Cc1c2c(cc3[nH]c(-c4c(NC(C)Cc5c(F)c(F)cc(F)c5F)cc[nH]c4=O)nc13)C(=O)N(C1CCN(C)CC1)C2 Homo sapiens CHEMBL3707707 single protein format
CHEMBL3922762 OBDepict F N H 3 C N H N N N H Cl S O O H 3 C H 3 C IC50 = 2.7 nM 461.95 C/C(=NNc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)c1ccc(F)cc1 Homo sapiens CHEMBL3870416 single protein format
CHEMBL4462528 OBDepict CH 3 O N H NH N N O NH Cl NH O H 3 C IC50 = 3.2 nM 466.93 COc1cc(NC(=O)C2CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Homo sapiens CHEMBL4400321 assay format
CHEMBL3893810 OBDepict Cl N N NH N H N S O O H 3 C CH 3 F F F IC50 = 3.4 nM 497.93 CC(C)S(=O)(=O)c1ccccc1Nc1nc(N/N=C/c2ccc(C(F)(F)F)cc2)ncc1Cl Homo sapiens CHEMBL3870416 single protein format
CHEMBL4546844 OBDepict CH 3 O HN N H N N HN O N H Cl NH O O H 3 C IC50 = 3.7 nM 538.01 COc1cc(NC(=O)NC2CCC(=O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Homo sapiens CHEMBL4400321 assay format
CHEMBL4748361 OBDepict H 3 C O N H O N N O N H Cl N H S O O CH 3 IC50 = 3.7 nM 520.01 COc1cc(OCC2CCCO2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1 Homo sapiens CHEMBL4737906 assay format
CHEMBL4471142 OBDepict CH 3 O NH N N N O N H Cl HN O CH 3 IC50 = 4.4 nM 466.93 COc1cc(N2CCCC2=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Homo sapiens CHEMBL4400321 assay format
CHEMBL4787021 OBDepict H 3 C O N H N H N N O N H Cl N H S O O CH 3 IC50 = 4.6 nM 519.03 COc1cc(NCC2CCCO2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1 Homo sapiens CHEMBL4737906 assay format
CHEMBL3950479 OBDepict H 3 C O N CH 3 N H N N HN Cl S O O CH 3 H 3 C IC50 = 4.7 nM 473.99 COc1ccc(/C(C)=N/Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1 Homo sapiens CHEMBL3870416 single protein format
CHEMBL3934594 OBDepict Cl N N N H NH N S O O H 3 C H 3 C F F F IC50 = 5.0 nM 497.93 CC(C)S(=O)(=O)c1ccccc1Nc1nc(N/N=C/c2cccc(C(F)(F)F)c2)ncc1Cl Homo sapiens CHEMBL3870416 single protein format
CHEMBL1983268 OBDepict H 3 C N N NH HN O N O N H F F IC50 = 5.0 nM 560.65 CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1 Homo sapiens CHEMBL3807302 cell-based format
CHEMBL4536955 OBDepict CH 3 O NH N N N O HN N H Cl HN O CH 3 IC50 = 5.3 nM 481.94 COc1cc(N2CCCNC2=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Homo sapiens CHEMBL4400321 assay format
CHEMBL4466920 OBDepict NH 2 N O N O N H H 3 C N N NH Cl S O O H 3 C CH 3 IC50 = 5.3 nM 574.11 COc1cc(N2CCN(CCCN)C2=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Homo sapiens CHEMBL4348478 assay format
CHEMBL3913728 OBDepict Cl N N N H NH N S O O H 3 C H 3 C O F F F IC50 = 5.5 nM 513.93 CC(C)S(=O)(=O)c1ccccc1Nc1nc(N/N=C/c2ccc(OC(F)(F)F)cc2)ncc1Cl Homo sapiens CHEMBL3870416 single protein format
CHEMBL3905284 OBDepict CH 3 O N N H N N NH Cl S O O H 3 C CH 3 IC50 = 5.8 nM 459.96 COc1cccc(/C=N/Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1 Homo sapiens CHEMBL3870416 single protein format
CHEMBL4465558 OBDepict H 3 C O N H N N N O N H NH Cl S O O H 3 C CH 3 IC50 = 6.8 nM 517.01 COc1cc(N2CCNC2=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Homo sapiens CHEMBL4348478 assay format
CHEMBL4166038 OBDepict H 3 C O N H N N N N N NH N Cl S N H O O H 3 C CH 3 IC50 = 8.0 nM 598.13 COc1cc(-n2cc(CN3CCNCC3)nn2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Homo sapiens CHEMBL4136449 assay format
CHEMBL4298138 OBDepict F O H H 3 C N H H H 3 C N N H N O N IC50 = 8.4 nM 355.37 C[C@H]1CNC(=O)c2cnn3ccc(nc23)N[C@H](C)c2cc(F)ccc2O1 Homo sapiens CHEMBL4330198 single protein format
CHEMBL3310332 OBDepict CH 3 HO N N H 3 C N N N N O IC50 = 13.6 nM 428.5 Cc1cc(O)cc(-c2nn(C)cc2-c2cc(N3CCOCC3)nc(-c3cccnc3)n2)c1 Homo sapiens CHEMBL3366561 single protein format
CHEMBL4846921 OBDepict H 3 C N N NH N N S N H S O O CH 3 IC50 = 22.0 nM 508.67 CCN1CCN(c2ccc(Nc3ncc4scc(-c5cccc(NS(C)(=O)=O)c5)c4n3)cc2)CC1 Homo sapiens CHEMBL4839034 single protein format
CHEMBL3397291 OBDepict HO NH N N N N N N H 3 C OH IC50 = 24.0 nM 455.52 Cc1cc(O)cc(-c2nn(CC#N)cc2-c2cc(NCCCCO)nc(-c3cccnc3)n2)c1 Homo sapiens CHEMBL3399440 single protein format
CHEMBL3310338 OBDepict HO NH N N N N N H 3 C CH 3 HO IC50 = 25.4 nM 430.51 Cc1cc(O)cc(-c2c(-c3cc(NCCCCO)nc(-c4cccnc4)n3)cnn2C)c1 Homo sapiens CHEMBL3366561 single protein format
CHEMBL169390 OBDepict HO N H 2 N N N IC50 = 42.0 nM 294.36 Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCCC1 Homo sapiens CHEMBL4834285 cell-based format
CHEMBL3415599 OBDepict CH 3 O N NH H 3 C N N H O NH 2 H S H NH 2 O O IC50 = 43.0 nM 420.5 COc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1 Homo sapiens CHEMBL3420427 single protein format
CHEMBL3397286 OBDepict HO NH N N N N N N CH 3 O H 3 C IC50 = 56.0 nM 469.55 COc1cc(C)cc(-c2nn(CC#N)cc2-c2cc(NCCCCO)nc(-c3cccnc3)n2)c1 Homo sapiens CHEMBL3399440 single protein format
CHEMBL3310337 OBDepict HO N N N N N N H 3 C CH 3 HO IC50 = 56.6 nM 414.47 Cc1cc(O)cc(-c2c(-c3cc(N4CC(O)C4)nc(-c4cccnc4)n3)cnn2C)c1 Homo sapiens CHEMBL3366561 single protein format
CHEMBL3310324 OBDepict H 3 C O H 3 C N N H 3 C N N N N O IC50 = 59.1 nM 442.52 COc1cc(C)cc(-c2nn(C)cc2-c2cc(N3CCOCC3)nc(-c3cccnc3)n2)c1 Homo sapiens CHEMBL3366561 single protein format
CHEMBL601719 OBDepict NH 2 N O CH 3 H N N Cl Cl F HN IC50 = 60.0 nM 450.35 C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl Homo sapiens CHEMBL3366561 single protein format
CHEMBL3582441 OBDepict OH O N N N N N N N H F IC50 = 60.0 nM 501.57 O=C(O)CN1CCN(c2cc(-c3cnc4ccc(N5CCC[C@@H]5c5cccc(F)c5)nn34)ccn2)CC1 Homo sapiens CHEMBL3583141 cell-based format
CHEMBL3310326 OBDepict HO NH N N N N N CH 3 CH 3 O H 3 C IC50 = 63.8 nM 444.54 COc1cc(C)cc(-c2nn(C)cc2-c2cc(NCCCCO)nc(-c3cccnc3)n2)c1 Homo sapiens CHEMBL3366561 single protein format
CHEMBL3310329 OBDepict H 3 C O CH 3 N H 3 C N N N N N HO IC50 = 74.2 nM 428.5 COc1cc(C)cc(-c2c(-c3cc(N4CC(O)C4)nc(-c4cccnc4)n3)cnn2C)c1 Homo sapiens CHEMBL3366561 single protein format
CHEMBL3310333 OBDepict HO N N N N N N CH 3 CH 3 HO IC50 = 86.5 nM 414.47 Cc1cc(O)cc(-c2nn(C)cc2-c2cc(N3CC(O)C3)nc(-c3cccnc3)n2)c1 Homo sapiens CHEMBL3366561 single protein format
CHEMBL3397288 OBDepict N N N N H 3 C O N H N H 3 C N N O IC50 = 88.0 nM 524.63 COc1cc(C)cc(-c2nn(CC#N)cc2-c2cc(NCCCN3CCOCC3)nc(-c3cccnc3)n2)c1 Homo sapiens CHEMBL3399440 single protein format
CHEMBL3310336 OBDepict CH 3 HO N CH 3 N N N N N O IC50 = 91.5 nM 428.5 Cc1cc(O)cc(-c2c(-c3cc(N4CCOCC4)nc(-c4cccnc4)n3)cnn2C)c1 Homo sapiens CHEMBL3366561 single protein format
CHEMBL3310328 OBDepict CH 3 O H 3 C N CH 3 N N N N N O IC50 = 104.0 nM 442.52 COc1cc(C)cc(-c2c(-c3cc(N4CCOCC4)nc(-c4cccnc4)n3)cnn2C)c1 Homo sapiens CHEMBL3366561 single protein format
CHEMBL3310335 OBDepict H 3 C OH N N CH 3 N NH N N OH H 3 C H IC50 = 105.0 nM 416.49 Cc1cc(O)cc(-c2nn(C)cc2-c2cc(NC[C@H](C)O)nc(-c3cccnc3)n2)c1 Homo sapiens CHEMBL3366561 single protein format
CHEMBL3397290 OBDepict OH NH N N N N N N H 3 C OH IC50 = 108.0 nM 441.5 Cc1cc(O)cc(-c2nn(CC#N)cc2-c2cc(NCCCO)nc(-c3cccnc3)n2)c1 Homo sapiens CHEMBL3399440 single protein format
CHEMBL3310325 OBDepict CH 3 O H 3 C N N H 3 C N N N N OH IC50 = 108.0 nM 428.5 COc1cc(C)cc(-c2nn(C)cc2-c2cc(N3CC(O)C3)nc(-c3cccnc3)n2)c1 Homo sapiens CHEMBL3366561 single protein format
CHEMBL3397285 OBDepict OH NH N N N N N N CH 3 O H 3 C IC50 = 119.0 nM 455.52 COc1cc(C)cc(-c2nn(CC#N)cc2-c2cc(NCCCO)nc(-c3cccnc3)n2)c1 Homo sapiens CHEMBL3399440 single protein format
CHEMBL3426891 OBDepict CH 3 N N N H N N HN Cl H O IC50 = 124.0 nM 402.93 CN1CCN(c2ccc(Nc3ncc(Cl)c(NC[C@H]4CCCO4)n3)cc2)CC1 Homo sapiens CHEMBL3429151 single protein format
CHEMBL3310334 OBDepict HO NH N N N N N CH 3 H 3 C OH IC50 = 133.0 nM 430.51 Cc1cc(O)cc(-c2nn(C)cc2-c2cc(NCCCCO)nc(-c3cccnc3)n2)c1 Homo sapiens CHEMBL3366561 single protein format
CHEMBL3310330 OBDepict OH HN N N N N N CH 3 H 3 C O CH 3 IC50 = 138.0 nM 444.54 COc1cc(C)cc(-c2c(-c3cc(NCCCCO)nc(-c4cccnc4)n3)cnn2C)c1 Homo sapiens CHEMBL3366561 single protein format
CHEMBL3310504 OBDepict CH 3 HO N CH 3 N N NH N N OH H 3 C H IC50 = 139.0 nM 416.49 Cc1cc(O)cc(-c2c(-c3cc(NC[C@H](C)O)nc(-c4cccnc4)n3)cnn2C)c1 Homo sapiens CHEMBL3366561 single protein format
CHEMBL2403108 OBDepict CH 3 O H 3 C NH H 3 C N N N H N H Cl S O O H 3 C H 3 C IC50 = 141.8 nM 558.15 Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCNCC1 Homo sapiens CHEMBL2405538 cell-based format
CHEMBL3397287 OBDepict N N N N H 3 C O N H N H 3 C N N O IC50 = 148.0 nM 510.6 COc1cc(C)cc(-c2nn(CC#N)cc2-c2cc(NCCN3CCOCC3)nc(-c3cccnc3)n2)c1 Homo sapiens CHEMBL3399440 single protein format
CHEMBL4067871 OBDepict OH N H H N OH Cl N IC50 = 168.5 nM 467.96 OC[C@H](Nc1cnc(-c2cc(Cl)ccc2O)c(-c2ccc3cnccc3c2)c1)c1ccccc1 Homo sapiens CHEMBL4018646 single protein format
CHEMBL3397293 OBDepict N N N N CH 3 HO N H N N N O IC50 = 183.0 nM 510.6 Cc1cc(O)cc(-c2nn(CC#N)cc2-c2cc(NCCCN3CCOCC3)nc(-c3cccnc3)n2)c1 Homo sapiens CHEMBL3399440 single protein format
CHEMBL560733 OBDepict N N N N CH 3 HO NH N N HO CH 3 H IC50 = 199.0 nM 441.5 Cc1cc(O)cc(-c2nn(CC#N)cc2-c2cc(NC[C@H](C)O)nc(-c3cccnc3)n2)c1 Homo sapiens CHEMBL1057208 single protein format
CHEMBL575265 OBDepict N N N CH 3 HO N N IC50 = 209.0 nM 367.41 Cc1cc(O)cc(-c2nn(CC#N)cc2-c2ccnc(-c3cccnc3)c2)c1 Homo sapiens CHEMBL1043167 single protein format
CHEMBL3582442 OBDepict HO N N N N N N H F IC50 = 210.0 nM 458.54 OC1CCN(c2cc(-c3cnc4ccc(N5CCC[C@@H]5c5cccc(F)c5)nn34)ccn2)CC1 Homo sapiens CHEMBL3583141 cell-based format
CHEMBL3310327 OBDepict H 3 C O CH 3 N N CH 3 N NH N N OH H 3 C H IC50 = 241.0 nM 430.51 COc1cc(C)cc(-c2nn(C)cc2-c2cc(NC[C@H](C)O)nc(-c3cccnc3)n2)c1 Homo sapiens CHEMBL3366561 single protein format
CHEMBL4105329 OBDepict OH HN H N HO Cl N H 3 C N H IC50 = 272.9 nM 470.96 Cc1n[nH]c2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3-c3cc(Cl)ccc3O)cc12 Homo sapiens CHEMBL4018646 single protein format
CHEMBL3310331 OBDepict CH 3 O H 3 C N CH 3 N N NH N N OH H 3 C H IC50 = 283.0 nM 430.51 COc1cc(C)cc(-c2c(-c3cc(NC[C@H](C)O)nc(-c4cccnc4)n3)cnn2C)c1 Homo sapiens CHEMBL3366561 single protein format
CHEMBL3582427 OBDepict N N N N N H IC50 = 300.0 nM 325.38 N#Cc1ccc(-c2cnc3ccc(NCc4ccccc4)nn23)cc1 Homo sapiens CHEMBL3583141 cell-based format
CHEMBL3397299 OBDepict Cl Cl N CH 3 N N N IC50 = 330.0 nM 393.28 Cc1ncc(-c2ccnc(-c3cccnc3)c2)c(-c2ccc(Cl)cc2Cl)n1 Homo sapiens CHEMBL3399440 single protein format
CHEMBL3397295 OBDepict H 3 C O HN N N N N N H 3 C Cl Cl IC50 = 357.0 nM 481.39 COCCCNc1cc(-c2cnc(C)nc2-c2ccc(Cl)cc2Cl)nc(-c2cccnc2)n1 Homo sapiens CHEMBL3399440 single protein format