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P68400 | CSK21_HUMAN | Casein kinase II subunit alpha (CSNK2A1)

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
CHEMBL3699289 OBDepict N N N H 3 C N H N N N HN N + N N N _ C N CH 3 CH 3 IC50 = 0.13 nM 425.42 [C-]#[N+]c1cnc2c(Nc3nc(C)n(C)n3)nc(Nc3ccc4c(c3)c(C#N)nn4C)nn12 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699277 OBDepict CH 3 O N H O H H F N Cl N H N N N N NH N N IC50 = 0.14 nM 524.95 COC(=O)N[C@@H]1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)C[C@@H]1F Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699234 OBDepict N N N CH 3 N H N N N NH N N IC50 = 0.15 nM 370.38 Cn1nc(C#N)c2cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)ccc21 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699295 OBDepict N N H Cl OH N N N NH N N IC50 = 0.16 nM 380.8 N#Cc1cc(CO)c(Cl)c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699235 OBDepict N N H N Cl N N N OH NH N N IC50 = 0.17 nM 435.88 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CCC(O)C2)c1 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699266 OBDepict N NH Cl N N N N HN N O H 3 C N IC50 = 0.21 nM 475.94 CC(=O)N1CCC(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)CC1 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699253 OBDepict H 3 C O N N Cl N H N N N N HN N N IC50 = 0.21 nM 504.99 COC1CCN(C2CN(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)C2)C1 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699292 OBDepict H 3 C NH N N N N H N N N N N N OH H 3 C H IC50 = 0.22 nM 485.56 CCNc1nc(Nc2ccc3c(c2)c(C#N)nn3C2CCN(C[C@@H](C)O)CC2)nn2c(C#N)cnc12 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699244 OBDepict N HN N Cl N N N HN NH N N S O O IC50 = 0.22 nM 567.08 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CCC(NC3CCS(=O)(=O)C3)CC2)c1 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699237 OBDepict N N H N H Cl N N N N NH O N N IC50 = 0.23 nM 450.89 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(NN2CCOCC2)c1 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699294 OBDepict N N H Cl CH 2 N N N NH N N IC50 = 0.23 nM 376.81 C=Cc1cc(C#N)cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699252 OBDepict N N H N Cl N N N N NH N N S O O CH 3 IC50 = 0.24 nM 553.05 CS(=O)(=O)C1CCN(C2CN(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)C2)C1 Homo sapiens CHEMBL3706079 single protein format
CHEMBL398149 OBDepict N N N N N H N NH N H O CH 3 Ki = 0.26 nM 348.37 CC(=O)Nc1cccc(Nc2nc(NC3CC3)n3ncc(C#N)c3n2)c1 Homo sapiens CHEMBL889430 single protein format
CHEMBL3699254 OBDepict H 3 C O N H O H N H CH 3 N Cl N H N N N N HN N N IC50 = 0.27 nM 562.04 COC(=O)N[C@@H]1CN(C2CN(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)C2)C[C@H]1C Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699291 OBDepict H 3 C NH N N N N H N N N N N N OH H 3 C H IC50 = 0.27 nM 485.56 CCNc1nc(Nc2ccc3c(c2)c(C#N)nn3C2CCN(C[C@H](C)O)CC2)nn2c(C#N)cnc12 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699280 OBDepict N HN Cl N N N N NH N N N O CH 3 IC50 = 0.28 nM 531.02 CC(=O)N1CC(N2CCC(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)CC2)C1 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699238 OBDepict N N H N Cl N N N N NH N N O IC50 = 0.29 nM 504.99 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CCN(C3CCOC3)CC2)c1 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699278 OBDepict N N H N Cl N N N N F NH N + N _ C O IC50 = 0.29 nM 522.98 [C-]#[N+]c1cnc2c(NC3CC3)nc(Nc3cc(C#N)cc(N4CCN(C5COC5)CC(F)C4)c3Cl)nn12 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699255 OBDepict N N H N Cl N N N N NH N N OH IC50 = 0.3 nM 476.93 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CC(N3CC(O)C3)C2)c1 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699239 OBDepict N HN N Cl N N N N NH N N OH CH 3 H IC50 = 0.3 nM 492.98 C[C@@H](O)CN1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)CC1 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699250 OBDepict N HN N Cl N N N HN NH N N H H OH IC50 = 0.3 nM 519.01 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CCC(N[C@H]3C[C@@H](O)C3)CC2)c1 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699262 OBDepict N HN Cl N N N N NH CH 3 N N IC50 = 0.31 nM 445.92 CN1CC=C(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)CC1 Homo sapiens CHEMBL3706079 single protein format
CHEMBL230354 OBDepict N N N N N H N NH NH O CH 3 Ki = 0.35 nM 384.4 CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)c1 Homo sapiens CHEMBL889430 single protein format
CHEMBL1230165 OBDepict Cl N H N N O HO Ki = 0.38 nM 349.78 O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12 Homo sapiens CHEMBL4336763 single protein format
CHEMBL3699287 OBDepict N N H N F N N N N NH N + N _ C N CH 3 IC50 = 0.39 nM 487.55 [C-]#[N+]c1cnc2c(NC3CC3)nc(Nc3cc(C#N)cc(N4CC(N5CCN(C)CC5)C4)c3F)nn12 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699256 OBDepict CH 3 O N H O H H HO N Cl N H N N N N NH N N IC50 = 0.41 nM 522.96 COC(=O)N[C@@H]1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)C[C@H]1O Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699282 OBDepict CH 3 N H N N N N H N + N _ C Cl N N H HO H N H O O H 3 C IC50 = 0.52 nM 510.95 [C-]#[N+]c1cnc2c(NCC)nc(Nc3cc(C#N)cc(N4CC[C@H](NC(=O)OC)[C@@H](O)C4)c3Cl)nn12 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699257 OBDepict CH 3 O N H O H H HO N Cl N H N N N N NH N N IC50 = 0.72 nM 522.96 COC(=O)N[C@H]1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)C[C@@H]1O Homo sapiens CHEMBL3706079 single protein format
CHEMBL1230165 OBDepict Cl N H N N O HO IC50 = 1.0 nM 349.78 O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12 Homo sapiens CHEMBL1663326 single protein format
CHEMBL3699251 OBDepict CH 3 O N H O H N H H 3 C N Cl N H N N N N NH N N IC50 = 1.31 nM 590.09 COC(=O)N[C@@H]1CN(C2CCN(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)CC2)C[C@@H]1C Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699297 OBDepict N N H N H Cl N N N N HN N N O IC50 = 1.32 nM 504.99 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(NC2CCN(C3COC3)CC2)c1 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699285 OBDepict CH 3 N H N N N N H N + N _ C Cl N N N H OH H 3 C H IC50 = 1.33 nM 494.99 [C-]#[N+]c1cnc2c(NCC)nc(Nc3cc(C#N)cc(N4CCC(NC[C@@H](C)O)CC4)c3Cl)nn12 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699264 OBDepict HO HO N Cl N H N N N N HN N N IC50 = 1.34 nM 548.05 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(C2CCN(C3CC(CO)(CO)C3)CC2)c1 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699240 OBDepict CH 3 O N O N N Cl N H N N N N NH N N IC50 = 1.35 nM 576.07 COC(=O)N1CCC(N2CCN(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)CC2)CC1 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699267 OBDepict N N H Cl N N N N NH O O N N O IC50 = 1.35 nM 533.98 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(C2CCN(C(=O)OC3COC3)CC2)c1 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699259 OBDepict N NH N Cl N N N H HO NH H N H N N O O O IC50 = 1.36 nM 564.99 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CC[C@@H](NC(=O)OC3COC3)[C@H](O)C2)c1 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699242 OBDepict N HN N Cl N N N HN N H N + N _ C F F IC50 = 1.37 nM 538.99 [C-]#[N+]c1cnc2c(NC3CC3)nc(Nc3cc(C#N)cc(N4CCC(NC5CC(F)(F)C5)CC4)c3Cl)nn12 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699286 OBDepict H 3 C N H N N N HN N N Cl N N H O H N O IC50 = 1.37 nM 535.01 CCNc1nc(Nc2cc(C#N)cc(N3CC[C@@H]4[C@@H](C3)OCCN4C3COC3)c2Cl)nn2c(C#N)cnc12 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699303 OBDepict H 3 C N H N N N HN N N Cl N N N F F IC50 = 1.39 nM 486.92 CCNc1nc(Nc2cc(C#N)cc(N3CCN(CC(F)F)CC3)c2Cl)nn2c(C#N)cnc12 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699296 OBDepict H 3 C HN N N N N H N N Cl N N N O IC50 = 1.39 nM 478.95 CCNc1nc(Nc2cc(C#N)cc(N3CCN(C4COC4)CC3)c2Cl)nn2c(C#N)cnc12 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699236 OBDepict N HN N Cl N N N NH N N CH 3 N IC50 = 1.4 nM 460.93 CN1CC2(C1)CN(c1cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c1Cl)C2 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699274 OBDepict N N N N N H N N H Cl N F F N H 3 C O IC50 = 1.42 nM 529.98 CC1(N2CCN(c3cc(C(F)F)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)CC2)COC1 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699284 OBDepict CH 3 N H N N N N H N + N _ C Cl N HN IC50 = 1.42 nM 421.9 [C-]#[N+]c1cnc2c(NCC)nc(Nc3cc(C#N)cc(C4CCNCC4)c3Cl)nn12 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699241 OBDepict N NH N Cl N N N N HN N N S O O CH 3 IC50 = 1.44 nM 541.04 CS(=O)(=O)CCN1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)CC1 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699293 OBDepict CH 3 N H N N N N H N N N N N N O IC50 = 1.44 nM 483.54 CCNc1nc(Nc2ccc3c(c2)c(C#N)nn3C2CCN(C3COC3)CC2)nn2c(C#N)cnc12 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699269 OBDepict N N N N N H N N H Cl N F F N N CH 3 IC50 = 1.5 nM 529.0 CN1CC(N2CCN(c3cc(C(F)F)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)CC2)C1 Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699258 OBDepict CH 3 O O N H O H H HO N Cl N H N N N N NH N N IC50 = 1.53 nM 567.01 COCCOC(=O)N[C@@H]1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)C[C@H]1O Homo sapiens CHEMBL3706079 single protein format
CHEMBL3699245 OBDepict N N H N Cl N N N HN N H N N N IC50 = 1.56 nM 528.02 N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CCC(NC3CC(C#N)C3)CC2)c1 Homo sapiens CHEMBL3706079 single protein format
CHEMBL230462 OBDepict N N N N N H N HN N H O H 3 C Ki = 1.9 nM 362.4 CC(=O)Nc1cccc(Nc2nc(NC3CCC3)n3ncc(C#N)c3n2)c1 Homo sapiens CHEMBL889430 single protein format
CHEMBL3810020 OBDepict N N N N N H N H NH N CH 3 O H 3 C N O IC50 < 3.0 nM 489.58 CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N(C)CCN1CCOCC1 Homo sapiens CHEMBL3811873 cell-based format
CHEMBL3809011 OBDepict OH N H HN N H O CH 3 N NH N N N IC50 < 3.0 nM 420.48 CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1NCCCO Homo sapiens CHEMBL3811873 cell-based format
CHEMBL3103192 OBDepict H 2 N N H 3 C HN N H O CH 3 N HN N N N IC50 < 3.0 nM 419.49 CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N(C)CCN Homo sapiens CHEMBL3811873 cell-based format
CHEMBL2409174 OBDepict N N N N N H NH N H Cl O CH 3 IC50 < 3.0 nM 381.83 CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1Cl Homo sapiens CHEMBL2411106 cell-based format
CHEMBL3808860 OBDepict NH 2 N CH 3 NH N H O CH 3 N NH N N N IC50 < 3.0 nM 433.52 CCN(CCN)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O Homo sapiens CHEMBL3811873 cell-based format
CHEMBL2409175 OBDepict N N N N N H NH N H CH 3 O CH 3 IC50 < 3.0 nM 361.41 CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1C Homo sapiens CHEMBL2411106 cell-based format
CHEMBL3810252 OBDepict N N N N N H N H NH N O H 3 C H NH 2 IC50 < 3.0 nM 431.5 CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CC[C@H](N)C1 Homo sapiens CHEMBL3811873 cell-based format
CHEMBL3809288 OBDepict N N N N N H N H NH N O H 3 C H NH 2 IC50 < 3.0 nM 431.5 CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CC[C@@H](N)C1 Homo sapiens CHEMBL3811873 cell-based format
CHEMBL1652704 OBDepict OH O N HN N IC50 = 3.0 nM 343.39 O=C(O)c1ccc2c(c1)nc(NCCc1ccccc1)c1ccncc12 Homo sapiens CHEMBL3706356 single protein format
CHEMBL3809526 OBDepict N N N N N H N H NH N O H 3 C H NH 2 IC50 < 3.0 nM 445.53 CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CCC[C@H](N)C1 Homo sapiens CHEMBL3811873 cell-based format
CHEMBL3809915 OBDepict N N N N N H N H HN N CH 3 O CH 3 NH 2 H 3 C H IC50 < 3.0 nM 433.52 CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N(C)C[C@H](C)N Homo sapiens CHEMBL3811873 cell-based format
CHEMBL1652737 OBDepict CH N H N N O OH IC50 = 3.0 nM 339.35 C#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnccc23)c1 Homo sapiens CHEMBL3706356 single protein format
CHEMBL3103191 OBDepict N N N N N H N H NH N CH 3 O H 3 C N CH 3 CH 3 IC50 < 3.0 nM 447.55 CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N(C)CCN(C)C Homo sapiens CHEMBL3811873 cell-based format
CHEMBL3809024 OBDepict N N N N N H N H HN N CH 3 O CH 3 NH 2 H 3 C H IC50 < 3.0 nM 433.52 CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N(C)C[C@@H](C)N Homo sapiens CHEMBL3811873 cell-based format
CHEMBL2062585 OBDepict N N N N N H N N H O HO O H 3 C IC50 < 3.0 nM 443.47 CC(=O)Nc1ccc2c(c1)c(-c1cc(NC3CC3)n3ncc(C#N)c3n1)cn2CCC(=O)O Homo sapiens CHEMBL4222671 cell-based format
CHEMBL2409180 OBDepict N N N N N H NH N N H CH 3 O CH 3 IC50 < 3.0 nM 362.4 CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ncc1C Homo sapiens CHEMBL2411106 cell-based format
CHEMBL2407112 OBDepict N N N N N H NH N N H CH 3 O CH 3 IC50 < 3.0 nM 362.4 CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cnc1C Homo sapiens CHEMBL2411106 cell-based format
CHEMBL2409198 OBDepict N N N N N H HN F O N H O H 3 C IC50 < 3.0 nM 421.44 CC(=O)Nc1cc(Nc2cc(NC3COC3)n3ncc(C#N)c3n2)c(F)cc1C1CC1 Homo sapiens CHEMBL2411106 cell-based format
CHEMBL2409197 OBDepict N N N N N H HN O N H O H 3 C IC50 < 3.0 nM 403.45 CC(=O)Nc1cc(Nc2cc(NC3COC3)n3ncc(C#N)c3n2)ccc1C1CC1 Homo sapiens CHEMBL2411106 cell-based format
CHEMBL2409193 OBDepict N N N N N H N H N N HN CH 3 O CH 3 N O IC50 < 3.0 nM 500.57 CC(=O)Nc1cc(Nc2cc(Nc3cn(CCN4CCOCC4)cn3)n3ncc(C#N)c3n2)ccc1C Homo sapiens CHEMBL2411106 cell-based format
CHEMBL2409181 OBDepict N N N N N H HN N H H 3 C O H 3 C IC50 < 3.0 nM 375.44 CC(=O)Nc1cc(Nc2cc(NC3CCC3)n3ncc(C#N)c3n2)ccc1C Homo sapiens CHEMBL2411106 cell-based format
CHEMBL2409182 OBDepict N N N N N H HN F N H H 3 C O H 3 C IC50 < 3.0 nM 393.43 CC(=O)Nc1cc(Nc2cc(NC3CCC3)n3ncc(C#N)c3n2)c(F)cc1C Homo sapiens CHEMBL2411106 cell-based format
CHEMBL2409183 OBDepict N N N N N H N H N N NH CH 3 H 3 C O CH 3 IC50 < 3.0 nM 401.43 CC(=O)Nc1cc(Nc2cc(Nc3ccn(C)n3)n3ncc(C#N)c3n2)ccc1C Homo sapiens CHEMBL2411106 cell-based format
CHEMBL2409184 OBDepict N N N N N H N H N N NH CH 3 H 3 C O CH 3 IC50 < 3.0 nM 401.43 CC(=O)Nc1cc(Nc2cc(Nc3cn(C)cn3)n3ncc(C#N)c3n2)ccc1C Homo sapiens CHEMBL2411106 cell-based format
CHEMBL2409186 OBDepict HO N N NH N N N H N N N H H 3 C O H 3 C IC50 < 3.0 nM 431.46 CC(=O)Nc1cc(Nc2cc(Nc3ccn(CCO)n3)n3ncc(C#N)c3n2)ccc1C Homo sapiens CHEMBL2411106 cell-based format
CHEMBL2409187 OBDepict OH N N HN N N N H N N N H CH 3 O CH 3 IC50 < 3.0 nM 431.46 CC(=O)Nc1cc(Nc2cc(Nc3cn(CCO)cn3)n3ncc(C#N)c3n2)ccc1C Homo sapiens CHEMBL2411106 cell-based format
CHEMBL2409188 OBDepict N N N N N H N H N N NH H 3 C O CH 3 N H 3 C H 3 C IC50 < 3.0 nM 458.53 CC(=O)Nc1cc(Nc2cc(Nc3ccn(CCN(C)C)n3)n3ncc(C#N)c3n2)ccc1C Homo sapiens CHEMBL2411106 cell-based format
CHEMBL2409196 OBDepict N N N N N H HN F O N H H 3 C O H 3 C IC50 < 3.0 nM 395.4 CC(=O)Nc1cc(Nc2cc(NC3COC3)n3ncc(C#N)c3n2)c(F)cc1C Homo sapiens CHEMBL2411106 cell-based format
CHEMBL2409189 OBDepict N N N N N H NH N N NH H 3 C O CH 3 N IC50 < 3.0 nM 484.57 CC(=O)Nc1cc(Nc2cc(Nc3ccn(CCN4CCCC4)n3)n3ncc(C#N)c3n2)ccc1C Homo sapiens CHEMBL2411106 cell-based format
CHEMBL2409190 OBDepict N N N N N H NH N N NH H 3 C O H 3 C N O IC50 < 3.0 nM 500.57 CC(=O)Nc1cc(Nc2cc(Nc3ccn(CCN4CCOCC4)n3)n3ncc(C#N)c3n2)ccc1C Homo sapiens CHEMBL2411106 cell-based format
CHEMBL2409191 OBDepict N N N N N H N H N N NH H 3 C O CH 3 N CH 3 CH 3 IC50 < 3.0 nM 458.53 CC(=O)Nc1cc(Nc2cc(Nc3cn(CCN(C)C)cn3)n3ncc(C#N)c3n2)ccc1C Homo sapiens CHEMBL2411106 cell-based format
CHEMBL2409195 OBDepict N N N N N H HN O N H H 3 C O H 3 C IC50 < 3.0 nM 377.41 CC(=O)Nc1cc(Nc2cc(NC3COC3)n3ncc(C#N)c3n2)ccc1C Homo sapiens CHEMBL2411106 cell-based format
CHEMBL2409192 OBDepict N N N N N H N H N N NH H 3 C O CH 3 N IC50 < 3.0 nM 484.57 CC(=O)Nc1cc(Nc2cc(Nc3cn(CCN4CCCC4)cn3)n3ncc(C#N)c3n2)ccc1C Homo sapiens CHEMBL2411106 cell-based format
CHEMBL2062565 OBDepict N N N N N N H N HN O CH 3 IC50 < 3.0 nM 372.39 CC(=O)Nc1cnc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1 Homo sapiens CHEMBL2065439 cell-based format
CHEMBL2409179 OBDepict N N N N N H N H F HN O CH 3 IC50 < 3.0 nM 405.44 CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)c(F)cc1C1CC1 Homo sapiens CHEMBL2411106 cell-based format
CHEMBL2409194 OBDepict N N N N N H HN O N H Cl O H 3 C IC50 < 3.0 nM 397.83 CC(=O)Nc1cc(Nc2cc(NC3COC3)n3ncc(C#N)c3n2)ccc1Cl Homo sapiens CHEMBL2411106 cell-based format
CHEMBL2409177 OBDepict N N N N N H N H NH O CH 3 IC50 < 3.0 nM 387.45 CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1C1CC1 Homo sapiens CHEMBL2411106 cell-based format
CHEMBL2409176 OBDepict N N N N N H N H NH CH 3 CH 3 O H 3 C IC50 < 3.0 nM 389.46 CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1C(C)C Homo sapiens CHEMBL2411106 cell-based format
CHEMBL2409178 OBDepict N N N N N H NH F N H CH 3 O CH 3 IC50 < 3.0 nM 379.4 CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)c(F)cc1C Homo sapiens CHEMBL2411106 cell-based format
CHEMBL4225287 OBDepict CH 3 HN H 3 C N N N O HO IC50 = 3.0 nM 372.43 CC(C)Nc1ccc2ccn(-c3cncc(-c4ccc(C(=O)O)cc4)n3)c2c1 Homo sapiens CHEMBL4222671 cell-based format
CHEMBL3699268 OBDepict CH 3 O N H O H N H O CH 3 Cl N H F F N N N NH N N IC50 = 3.83 nM 547.95 COC(=O)N[C@H]1CN(c2cc(C(F)F)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)C[C@H]1OC Homo sapiens CHEMBL3706079 single protein format
CHEMBL1652707 OBDepict OH O N N H N Cl F IC50 = 4.0 nM 367.77 O=C(O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ccncc12 Homo sapiens CHEMBL3706356 single protein format
CHEMBL1682287 OBDepict Cl N H N N NH 2 N O HO IC50 = 4.0 nM 365.78 Nc1ncc2c(n1)c(Nc1cccc(Cl)c1)nc1cc(C(=O)O)ccc12 Homo sapiens CHEMBL3706356 single protein format
CHEMBL1652706 OBDepict CH 3 O N H N N O OH IC50 = 4.0 nM 345.36 COc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnccc23)c1 Homo sapiens CHEMBL3706356 single protein format
CHEMBL2062566 OBDepict N N N N N N H N H O CH 3 IC50 = 4.0 nM 373.42 CC(=O)Nc1ccc2c(c1)N(c1cc(NC3CC3)n3ncc(C#N)c3n1)CC2 Homo sapiens CHEMBL2065439 cell-based format
CHEMBL3808583 OBDepict N N N N N H N H NH N O H 3 C H N CH 3 CH 3 IC50 = 4.0 nM 473.59 CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CCC[C@@H](N(C)C)C1 Homo sapiens CHEMBL3811873 cell-based format
CHEMBL1652738 OBDepict N N H N N O OH IC50 = 4.0 nM 340.34 N#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnccc23)c1 Homo sapiens CHEMBL3706356 single protein format
CHEMBL2062571 OBDepict N N N N N HN O N H O H 3 C IC50 = 4.0 nM 387.4 CC(=O)Nc1ccc2ccn(-c3cc(NC4COC4)n4ncc(C#N)c4n3)c2c1 Homo sapiens CHEMBL2065439 cell-based format
CHEMBL3699281 OBDepict CH 3 N H N N N N H N + N _ C Cl N N H HO H N H O O H 3 C IC50 = 4.71 nM 510.95 [C-]#[N+]c1cnc2c(NCC)nc(Nc3cc(C#N)cc(N4CC[C@@H](NC(=O)OC)[C@H](O)C4)c3Cl)nn12 Homo sapiens CHEMBL3706079 single protein format
CHEMBL231492 OBDepict N N N N N H N HN CH 3 Ki = 5.0 nM 341.38 Cc1ccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)cc1 Homo sapiens CHEMBL889430 single protein format
CHEMBL230347 OBDepict N N N N N H N N H Cl Ki = 5.0 nM 375.82 N#Cc1cnn2c(Nc3ccccc3)nc(NCc3ccc(Cl)cc3)nc12 Homo sapiens CHEMBL889430 single protein format