HOME LIGAND hPROTEOME OTHERS DOCUMENT

P22460 | KCNA5_HUMAN | Potassium voltage-gated channel subfamily A member 5 (KCNA5)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL4065169 OBDepict F H N N N NH S O O CH 3 IC50 = 9.0 nM 448.52 CS(=O)(=O)Nc1cccc([C@H](c2ccc(F)cc2)C(c2cccnc2)c2cccnc2)n1 Homo sapiens CHEMBL4004499 single protein format
CHEMBL571976 OBDepict F N N H 3 C H 3 C N H N N Cl Cl IC50 = 15.0 nM 428.3 CC1=C(c2nc3cc(F)ccc3n2C)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL1039276 cell-based format
CHEMBL3298226 OBDepict CH 3 O N N H CH 3 CH 3 IC50 = 22.0 nM 306.41 COc1cccc2ccnc(NCC(C)(C)c3ccccc3)c12 Homo sapiens CHEMBL3364869 cell-based format
CHEMBL3298228 OBDepict CH 3 O N H N N OH CH 3 CH 3 IC50 = 23.0 nM 323.4 COc1cccc2nc(O)nc(NCC(C)(C)c3ccccc3)c12 Homo sapiens CHEMBL3364869 cell-based format
CHEMBL4085436 OBDepict Cl N N N IC50 = 23.0 nM 371.87 Clc1ccccc1-c1ncccc1CC(c1cccnc1)c1cccnc1 Homo sapiens CHEMBL4004499 single protein format
CHEMBL3356073 OBDepict CH 3 O N N H S CH 3 CH 3 IC50 = 25.0 nM 312.44 COc1cccc2snc(NCC(C)(C)c3ccccc3)c12 Homo sapiens CHEMBL3364869 cell-based format
CHEMBL4105245 OBDepict Cl N Cl N N IC50 = 26.0 nM 406.32 Clc1ccccc1-c1ncccc1CC(c1cccnc1)c1cccnc1Cl Homo sapiens CHEMBL4004499 single protein format
CHEMBL3622361 OBDepict H 3 C O N H N S O O H NH O O F F F IC50 = 28.0 nM 525.55 COc1cccc2c1C(NC[C@]1(c3ccccc3)CC[C@H](NC(=O)OCC(F)(F)F)CC1)=NS2(=O)=O Homo sapiens CHEMBL3625774 cell-based format
CHEMBL4104525 OBDepict Cl Cl N OH H N N IC50 = 29.0 nM 422.32 O[C@@H](c1cccnc1-c1cc(Cl)cc(Cl)c1)C(c1cccnc1)c1cccnc1 Homo sapiens CHEMBL4004499 single protein format
CHEMBL3622355 OBDepict CH 3 O NH N S O O H O N H O N CH 3 CH 3 IC50 = 30.0 nM 562.69 COc1cccc2c1C(NC[C@]1(c3ccccc3)CC[C@H](OC(=O)Nc3ccc(N(C)C)cc3)CC1)=NS2(=O)=O Homo sapiens CHEMBL3625774 cell-based format
CHEMBL567671 OBDepict CH 3 O N H N N N N CH 3 Cl Cl F IC50 = 30.0 nM 458.32 COCC1=C(c2nc3cc(F)ccc3n2C)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL1039276 cell-based format
CHEMBL4062996 OBDepict Cl N N N IC50 = 30.0 nM 371.87 Clc1cccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)c1 Homo sapiens CHEMBL4004499 single protein format
CHEMBL1088844 OBDepict H 3 C CH 3 H H P O H CH 3 IC50 = 30.0 nM 340.45 CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1P(=O)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL1108889 cell-based format
CHEMBL3623054 OBDepict H 3 C O HN N S O O H N N N N IC50 = 32.0 nM 452.54 COc1cccc2c1C(NC[C@]1(c3ccccc3)CC[C@H](n3cnnn3)CC1)=NS2(=O)=O Homo sapiens CHEMBL3625774 cell-based format
CHEMBL4075394 OBDepict F O F F N N N IC50 = 33.0 nM 421.42 FC(F)(F)Oc1cccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)c1 Homo sapiens CHEMBL4004499 single protein format
CHEMBL3622346 OBDepict H 3 C O N H N S O O H OH IC50 = 34.0 nM 400.5 COc1cccc2c1C(NC[C@]1(c3ccccc3)CC[C@H](O)CC1)=NS2(=O)=O Homo sapiens CHEMBL3625774 cell-based format
CHEMBL385809 OBDepict O N H F N O CH 3 H 3 C H 3 C CH 3 N IC50 = 36.0 nM 489.64 CC(C)N(C(=O)C(c1cccnc1)C(CNC(=O)CCc1ccccc1F)c1ccccc1)C(C)C Homo sapiens CHEMBL907690 single protein format
CHEMBL2331989 OBDepict CH 3 N H N N N H N N Cl Cl IC50 = 37.0 nM 415.33 CC1=C(c2ncnn2C2CCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL2340853 cell-based format
CHEMBL4521294 OBDepict N HN N N N IC50 = 40.0 nM 389.46 c1ccc(-c2cccc3nc(-c4ccncc4)nc(NCc4ccccn4)c23)cc1 Homo sapiens CHEMBL4431051 cell-based format
CHEMBL4095750 OBDepict CH 3 O N N N IC50 = 41.0 nM 367.45 COc1cccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)c1 Homo sapiens CHEMBL4004499 single protein format
CHEMBL3298140 OBDepict CH 3 O N N H O CH 3 CH 3 IC50 = 43.0 nM 296.37 COc1cccc2onc(NCC(C)(C)c3ccccc3)c12 Homo sapiens CHEMBL3364869 cell-based format
CHEMBL260684 OBDepict H 3 C S N H O O H N O N H 3 C IC50 = 46.0 nM 567.76 CCc1ccc(S(=O)(=O)N[C@H]2CCCc3ccc(N(Cc4cccc(C)n4)C(=O)CCc4ccccc4)cc32)cc1 Homo sapiens CHEMBL937483 cell-based format
CHEMBL4094440 OBDepict NH 2 S O O N N N N H N IC50 = 46.0 nM 468.54 NS(=O)(=O)c1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1 Homo sapiens CHEMBL4015496 cell-based format
CHEMBL3623053 OBDepict H 3 C O N H N S O O H N H N N IC50 = 47.0 nM 477.59 COc1cccc2c1C(NC[C@]1(c3ccccc3)CC[C@H](Nc3ncccn3)CC1)=NS2(=O)=O Homo sapiens CHEMBL3625774 cell-based format
CHEMBL567235 OBDepict CH 3 N N CH 3 N H N N F Cl Cl IC50 = 48.0 nM 456.35 CCCn1c(C2=C(C)Nc3ccnn3C2c2ccc(Cl)c(Cl)c2)nc2cc(F)ccc21 Homo sapiens CHEMBL1039276 cell-based format
CHEMBL2331990 OBDepict H 3 C NH N N N H N N Cl Cl IC50 = 48.0 nM 401.3 CC1=C(c2ncnn2C2CCC2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL2340853 cell-based format
CHEMBL4532101 OBDepict N NH N N S N IC50 = 50.0 nM 395.49 c1ccc(-c2cccc3nc(-c4cncs4)nc(NCc4ccccn4)c23)cc1 Homo sapiens CHEMBL4431051 cell-based format
CHEMBL4450487 OBDepict N N N N H N IC50 = 50.0 nM 337.39 N#Cc1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1 Homo sapiens CHEMBL4431051 cell-based format
CHEMBL602070 OBDepict F H N O CH 3 N H H N N Cl Cl IC50 = 50.0 nM 471.36 CC1=C(C(=O)N2CCC[C@H]2c2ccc(F)cc2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL1067155 cell-based format
CHEMBL3623052 OBDepict H 3 C O N H N S O O H NH S N O O H 3 C H 3 C IC50 = 52.0 nM 534.7 CCN(CC)S(=O)(=O)N[C@H]1CC[C@](CNC2=NS(=O)(=O)c3cccc(OC)c32)(c2ccccc2)CC1 Homo sapiens CHEMBL3625774 cell-based format
CHEMBL3622360 OBDepict H 3 C O N H N S O O H NH O O H 3 C CH 3 IC50 = 52.0 nM 485.61 COc1cccc2c1C(NC[C@]1(c3ccccc3)CC[C@H](NC(=O)OC(C)C)CC1)=NS2(=O)=O Homo sapiens CHEMBL3625774 cell-based format
CHEMBL3622358 OBDepict H 3 C O NH O H N H N S O O O H 3 C IC50 = 55.0 nM 471.58 CCOC(=O)N[C@H]1CC[C@](CNC2=NS(=O)(=O)c3cccc(OC)c32)(c2ccccc2)CC1 Homo sapiens CHEMBL3625774 cell-based format
CHEMBL4088894 OBDepict H 2 N N N N F F F IC50 = 56.0 nM 420.44 Nc1cccc(C(Cc2cccnc2-c2cccc(C(F)(F)F)c2)c2cccnc2)n1 Homo sapiens CHEMBL4004499 single protein format
CHEMBL230671 OBDepict CH 3 N S H O O CH 3 H OH O CH 3 CH 3 N H O IC50 = 57.0 nM 564.75 CCCCN([C@@H]1c2cc(C(=O)NCCc3ccccc3)ccc2OC(C)(C)[C@H]1O)S(=O)(=O)c1ccc(CC)cc1 Homo sapiens CHEMBL889046 cell-based format
CHEMBL567244 OBDepict H 3 C N N H 3 C N H N N Cl Cl Cl IC50 = 57.0 nM 458.78 CCn1c(C2=C(C)Nc3ccnn3C2c2ccc(Cl)c(Cl)c2)nc2cc(Cl)ccc21 Homo sapiens CHEMBL1039276 cell-based format
CHEMBL2331987 OBDepict CH 3 N H N N N H N N Cl Cl IC50 = 59.0 nM 429.36 CC1=C(c2ncnn2C2CCCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL2340853 cell-based format
CHEMBL4475999 OBDepict CH 3 N H N H N OH H N CH 3 CH 3 HO IC50 = 60.0 nM 414.59 CCCN(CCC)[C@H](c1ccccn1)[C@@H](c1ccccn1)N(CCC)C[C@H](O)CO Homo sapiens CHEMBL4392953 cell-based format
CHEMBL3622362 OBDepict H 3 C O N H N S O O H NH S O O H 3 C IC50 = 60.0 nM 491.64 CCS(=O)(=O)N[C@H]1CC[C@](CNC2=NS(=O)(=O)c3cccc(OC)c32)(c2ccccc2)CC1 Homo sapiens CHEMBL3625774 cell-based format
CHEMBL4099807 OBDepict N HN N N N IC50 = 60.0 nM 389.46 c1ccc(-c2cccc3nc(-c4cccnc4)nc(NCc4ccccn4)c23)cc1 Homo sapiens CHEMBL4015496 cell-based format
CHEMBL4067665 OBDepict NH 2 N N N Cl Cl IC50 = 62.0 nM 421.33 Nc1cccc(C(Cc2cccnc2-c2cc(Cl)cc(Cl)c2)c2cccnc2)n1 Homo sapiens CHEMBL4004499 single protein format
CHEMBL4100226 OBDepict CH 3 N CH 3 O N N IC50 = 64.0 nM 407.52 CN(C)C(=O)c1cccc(-c2ccccc2CC(c2cccnc2)c2cccnc2)c1 Homo sapiens CHEMBL4004499 single protein format
CHEMBL4097667 OBDepict N N N IC50 = 64.0 nM 337.43 c1cncc(-c2ccccc2CC(c2cccnc2)c2cccnc2)c1 Homo sapiens CHEMBL4004499 single protein format
CHEMBL565312 OBDepict CH 3 N H N N N N CH 3 Cl F Cl IC50 = 64.0 nM 428.3 CC1=C(c2nc3c(F)cccc3n2C)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL1039276 cell-based format
CHEMBL3622348 OBDepict H 3 C NH O O H N H N S O O O H 3 C IC50 = 65.0 nM 471.58 CCNC(=O)O[C@H]1CC[C@](CNC2=NS(=O)(=O)c3cccc(OC)c32)(c2ccccc2)CC1 Homo sapiens CHEMBL3625774 cell-based format
CHEMBL566382 OBDepict Cl N N H 3 C H 3 C N H N N Cl Cl IC50 = 68.0 nM 444.75 CC1=C(c2nc3cc(Cl)ccc3n2C)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL1039276 cell-based format
CHEMBL2042152 OBDepict CH 3 O N H N N O H N H O Cl N Cl CH 3 IC50 = 70.0 nM 488.38 COCC1=C(C(=O)N2CCC[C@H]2c2cc(C)no2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL2044873 cell-based format
CHEMBL605576 OBDepict F N O H 3 C N H N N Cl Cl IC50 = 70.0 nM 471.36 CC1=C(C(=O)N2CCCC2c2ccc(F)cc2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL1067155 cell-based format
CHEMBL482381 OBDepict F N N O CH 3 N H H N N Cl Cl IC50 = 70.0 nM 486.38 CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL1013713 cell-based format
CHEMBL468514 OBDepict H 3 C S NH O O H H OH N H O O H 3 C IC50 = 70.0 nM 522.67 CCCCCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)c4cccc(OC)c4)ccc3CC[C@H]2O)cc1 Homo sapiens CHEMBL972458 cell-based format
CHEMBL4483629 OBDepict Cl N N N H N IC50 = 70.0 nM 346.82 Clc1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1 Homo sapiens CHEMBL4431051 cell-based format
CHEMBL480807 OBDepict H 3 C N O CH 3 CH 3 HN N N Cl Cl IC50 = 70.0 nM 407.35 CCCN(CCC)C(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL1013713 cell-based format
CHEMBL566800 OBDepict CH 3 N H N N N N CH 3 Cl Cl Cl IC50 = 71.0 nM 444.75 CC1=C(c2nc3cccc(Cl)c3n2C)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL1039276 cell-based format
CHEMBL2042162 OBDepict H 3 C N O H N O CH 3 NH H N N N CH 3 F F F IC50 = 72.0 nM 510.52 CC1=C(C(=O)N2CCC[C@H]2c2cc(C)no2)[C@@H](c2cc3ccccc3n2C)n2nc(C(F)(F)F)cc2N1 Homo sapiens CHEMBL2044873 cell-based format
CHEMBL3298227 OBDepict CH 3 O N H N N Cl CH 3 CH 3 IC50 = 73.0 nM 341.84 COc1cccc2nc(Cl)nc(NCC(C)(C)c3ccccc3)c12 Homo sapiens CHEMBL3364869 cell-based format
CHEMBL2332455 OBDepict CH 3 N H N N N H N N F Cl Cl IC50 = 74.0 nM 441.3 CC1=C(c2ncnn2-c2ccccc2F)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL2340853 cell-based format
CHEMBL577300 OBDepict Cl Cl N N N H CH 3 N N CH 3 IC50 = 75.0 nM 410.31 CC1=C(c2nc3ccccc3n2C)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL1039276 cell-based format
CHEMBL228330 OBDepict H 3 C N O N H O H HN S H OH CH 3 CH 3 O O H 3 C IC50 = 77.0 nM 551.71 CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CC)CCNc4ccccc4)ccc3OC(C)(C)[C@H]2O)cc1 Homo sapiens CHEMBL889046 cell-based format
CHEMBL388762 OBDepict H 3 C S N H O O H H OH O CH 3 H 3 C N O N NH 2 IC50 = 79.0 nM 546.65 CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)n4nc(-c5ccccc5)cc4N)ccc3OC(C)(C)[C@H]2O)cc1 Homo sapiens CHEMBL889046 cell-based format
CHEMBL4082779 OBDepict O S N O N H O N N N N IC50 = 80.0 nM 524.61 O=S(=O)(c1cccc(Nc2nc(-c3cncnc3)nc3cccc(-c4ccccc4)c23)c1)N1CCOCC1 Homo sapiens CHEMBL4015496 cell-based format
CHEMBL2312931 OBDepict Cl Cl N N H P O IC50 = 80.0 nM 453.31 O=P(NCc1cccnc1-c1cc(Cl)cc(Cl)c1)(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL2319032 cell-based format
CHEMBL2332457 OBDepict CH 3 N N N CH 3 NH H N N Cl Cl IC50 = 80.0 nM 437.33 CC1=C(c2ncnn2-c2ccc(C)cc2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL2340853 cell-based format
CHEMBL4521058 OBDepict F F F N N N H N IC50 = 80.0 nM 380.37 FC(F)(F)c1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1 Homo sapiens CHEMBL4431051 cell-based format
CHEMBL2042156 OBDepict CH 3 N O H N O CH 3 N H H N N Cl Cl IC50 = 83.0 nM 458.35 CC1=C(C(=O)N2CCC[C@H]2c2cc(C)no2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL2044873 cell-based format
CHEMBL3356074 OBDepict H 3 C O N H N O H 3 C CH 3 IC50 = 84.0 nM 308.38 COc1cccc2c1C(NCC(C)(C)c1ccccc1)=NC2=O Homo sapiens CHEMBL3364869 cell-based format
CHEMBL4094177 OBDepict Cl Cl N OH N N IC50 = 84.0 nM 422.32 OC(Cc1cccnc1-c1cc(Cl)cc(Cl)c1)(c1cccnc1)c1cccnc1 Homo sapiens CHEMBL4004499 single protein format
CHEMBL4100098 OBDepict F F F N N N IC50 = 84.0 nM 405.42 FC(F)(F)c1cccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)c1 Homo sapiens CHEMBL4004499 single protein format
CHEMBL517078 OBDepict H 3 C N H N N O N N Cl Cl IC50 = 85.0 nM 468.39 CC1=C(C(=O)N2CCN(c3ccccc3)CC2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL1013713 cell-based format
CHEMBL2332448 OBDepict H 3 C O N N N N H 3 C HN H N N Cl Cl F F F IC50 = 87.0 nM 522.32 COc1cccc(-n2ncnc2C2=C(C)Nc3cc(C(F)(F)F)nn3[C@@H]2c2ccc(Cl)c(Cl)c2)n1 Homo sapiens CHEMBL2340853 cell-based format
CHEMBL444449 OBDepict O O O O O IC50 = 88.0 nM 350.37 O=c1ccc2c(OCCCCOc3ccccc3)c3ccoc3cc2o1 Homo sapiens CHEMBL4193571 cell-based format
CHEMBL3298231 OBDepict H 3 C NH O O H N H N N CH 3 O H 3 C IC50 = 88.0 nM 436.56 CCNC(=O)O[C@H]1CC[C@](CNc2nn(C)c3cccc(OC)c23)(c2ccccc2)CC1 Homo sapiens CHEMBL3364869 cell-based format
CHEMBL228808 OBDepict H 3 C S HN O O H H OH O CH 3 CH 3 N O H NH CH 3 CH 3 IC50 = 89.0 nM 591.77 CCc1ccc(S(=O)(=O)N[C@H]2c3cc(C(=O)N4CCC[C@@H]4CNc4c(C)cccc4C)ccc3OC(C)(C)[C@@H]2O)cc1 Homo sapiens CHEMBL889046 cell-based format
CHEMBL2331986 OBDepict CH 3 N H N N N H N N H 3 C CH 3 Cl Cl IC50 = 89.0 nM 389.29 CC1=C(c2ncnn2C(C)C)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL2340853 cell-based format
CHEMBL3622350 OBDepict H 3 C O N H N S O O H O N H O F F F IC50 = 89.0 nM 539.58 COc1cccc2c1C(NC[C@]1(c3ccccc3)CC[C@H](OC(=O)NCCC(F)(F)F)CC1)=NS2(=O)=O Homo sapiens CHEMBL3625774 cell-based format
CHEMBL4097255 OBDepict N HN N N N N IC50 = 90.0 nM 390.45 c1ccc(-c2cccc3nc(-c4cncnc4)nc(NCc4ccccn4)c23)cc1 Homo sapiens CHEMBL4015496 cell-based format
CHEMBL4576889 OBDepict CH 3 N O H 3 C N N HN N IC50 = 90.0 nM 407.48 Cc1noc(C)c1-c1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1 Homo sapiens CHEMBL4431051 cell-based format
CHEMBL4080304 OBDepict CH 3 N N N N N IC50 = 90.0 nM 367.46 CN(c1cccnc1)c1ncccc1CC(c1cccnc1)c1cccnc1 Homo sapiens CHEMBL4004499 single protein format
CHEMBL465277 OBDepict H 3 C N H N N O N Cl Cl IC50 = 90.0 nM 391.3 CC1=C(C(=O)N2CCCCC2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL1013713 cell-based format
CHEMBL466838 OBDepict H 3 C S NH O O H H OH N H O O H 3 C IC50 = 90.0 nM 494.61 CCCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)c4cccc(OC)c4)ccc3CC[C@H]2O)cc1 Homo sapiens CHEMBL972458 cell-based format
CHEMBL602854 OBDepict H 3 C O N H N O H 3 C N H N N Cl Cl IC50 = 90.0 nM 458.35 CC1=C(C(=O)N2CCC[C@H]2c2cc(C)on2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL1067155 cell-based format
CHEMBL3622351 OBDepict H 3 C O N H N S O O H O N H O N S N IC50 = 92.0 nM 567.69 COc1cccc2c1C(NC[C@]1(c3ccccc3)CC[C@H](OC(=O)Nc3nnc(C4CC4)s3)CC1)=NS2(=O)=O Homo sapiens CHEMBL3625774 cell-based format
CHEMBL216955 OBDepict O N H CH 3 N O CH 3 CH 3 CH 3 H 3 C N IC50 = 94.0 nM 485.67 CC(CC(=O)NCC(c1ccccc1)C(C(=O)N(C(C)C)C(C)C)c1cccnc1)c1ccccc1 Homo sapiens CHEMBL907690 single protein format
CHEMBL585123 OBDepict Cl N N H 3 C CH 3 H 3 C N H N N Cl Cl IC50 = 94.0 nM 472.81 CC1=C(c2nc3cc(Cl)ccc3n2C(C)C)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL1039276 cell-based format
CHEMBL2331996 OBDepict CH 3 N N N H H H 3 C N N Cl N Cl IC50 = 94.0 nM 415.33 CC1=C(c2ncnn2C2CCC2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(C)cc2N1 Homo sapiens CHEMBL2340853 cell-based format
CHEMBL2332443 OBDepict Cl Cl H N N CH 3 N H N N N N F F F F F F IC50 = 96.0 nM 560.29 CC1=C(c2ncnn2-c2cccc(C(F)(F)F)n2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(C(F)(F)F)cc2N1 Homo sapiens CHEMBL2340853 cell-based format
CHEMBL2332454 OBDepict F N N N H 3 C HN H N N Cl Cl IC50 = 97.0 nM 441.3 CC1=C(c2ncnn2-c2cccc(F)c2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL2340853 cell-based format
CHEMBL2332452 OBDepict CH 3 O N N CH 3 N H H N N Cl Cl F F F IC50 = 98.0 nM 486.33 CCOCCn1ccnc1C1=C(C)Nc2cc(C(F)(F)F)nn2[C@@H]1c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL2340853 cell-based format
CHEMBL4061436 OBDepict CH 3 O N N N N HN N IC50 = 100.0 nM 420.48 COc1ncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cn1 Homo sapiens CHEMBL4015496 cell-based format
CHEMBL4068539 OBDepict H 3 C NH O N N N HN N IC50 = 100.0 nM 446.51 CC(=O)Nc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1 Homo sapiens CHEMBL4015496 cell-based format
CHEMBL583430 OBDepict H 3 C O N O N H HN S O O H 3 C O CH 3 IC50 = 100.0 nM 433.53 COc1ccc(CCCN2C(=O)N(NS(C)(=O)=O)C[C@@H]2c2ccc(OC)cc2)cc1 Homo sapiens CHEMBL1039567 cell-based format
CHEMBL2042154 OBDepict F H N O H 3 C N H H N N Cl CH 3 Cl IC50 = 100.0 nM 485.39 CC1=C(C(=O)N2CCC[C@H]2c2ccc(F)cc2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(C)cc2N1 Homo sapiens CHEMBL2044873 cell-based format
CHEMBL2312926 OBDepict O P N IC50 = 100.0 nM 369.4 O=P(c1ccccc1)(c1ccccc1)C(c1ccccc1)c1cccnc1 Homo sapiens CHEMBL2319032 cell-based format
CHEMBL517791 OBDepict CH 3 NH N N H O N Cl Cl IC50 = 100.0 nM 427.34 CC1=C(C(=O)NCCc2ccccc2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL1013713 cell-based format
CHEMBL4072025 OBDepict NH 2 O N N N NH N IC50 = 100.0 nM 432.49 NC(=O)c1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cn1 Homo sapiens CHEMBL4015496 cell-based format
CHEMBL288131 OBDepict H 3 C S N H O O H H OH N H O O CH 3 IC50 = 100.0 nM 466.56 CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)c4cccc(OC)c4)ccc3C[C@H]2O)cc1 Homo sapiens CHEMBL768691 single protein format
CHEMBL217222 OBDepict O NH N O CH 3 H 3 C H 3 C CH 3 N IC50 = 100.0 nM 471.65 CC(C)N(C(=O)C(c1cccnc1)C(CNC(=O)CCc1ccccc1)c1ccccc1)C(C)C Homo sapiens CHEMBL907690 single protein format
CHEMBL2042158 OBDepict H 3 C N O H N O H 3 C N H H N N Cl Cl F F F IC50 = 101.0 nM 526.35 CC1=C(C(=O)N2CCC[C@H]2c2cc(C)no2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(C(F)(F)F)cc2N1 Homo sapiens CHEMBL2044873 cell-based format
CHEMBL2331985 OBDepict H 3 C N N N CH 3 N H H N N Cl Cl IC50 = 102.0 nM 389.29 CCCn1ncnc1C1=C(C)Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL2340853 cell-based format
CHEMBL2331994 OBDepict CH 3 N H N N N H N N Cl Cl F F F IC50 = 103.0 nM 457.29 CC1=C(c2ncnn2CCCC(F)(F)F)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL2340853 cell-based format
CHEMBL601641 OBDepict H 3 C N O H N O H 3 C N H N N Cl Cl IC50 = 110.0 nM 458.35 CC1=C(C(=O)N2CCC[C@H]2c2cc(C)no2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1 Homo sapiens CHEMBL1067155 cell-based format
CHEMBL228809 OBDepict H 3 C S N H O O H CH 3 CH 3 O N O H N H H 3 C CH 3 IC50 = 110.0 nM 575.78 CCc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC[C@H]4CNc4c(C)cccc4C)cc32)cc1 Homo sapiens CHEMBL889046 cell-based format