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P49336 | CDK8_HUMAN | Cyclin-dependent kinase 8 (CDK8)

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

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL3827983 OBDepict H 3 C N H O N N N N CH 3 IC50 = 0.2 nM 343.39 CNC(=O)c1ccc2cncc(-c3ccc(-c4cnn(C)c4)cc3)c2n1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3828116 OBDepict CH 3 N N N N O H 2 N IC50 = 0.5 nM 329.36 Cn1cc(-c2ccc(-c3cncc4ccc(C(N)=O)nc34)cc2)cn1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3828003 OBDepict H 3 C N H O N N N CH 3 IC50 = 0.6 nM 342.4 CNC(=O)c1ccc2cncc(-c3ccc(-c4cnn(C)c4)cc3)c2c1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3956719 OBDepict Cl H N O N H 3 C N H IC50 = 0.6 nM 339.83 Cc1n[nH]c2ccc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cc12 Homo sapiens CHEMBL3854802 cell-based format
CHEMBL3827327 OBDepict CH 3 N N N HN O IC50 = 1.1 nM 368.44 Cn1cc(-c2ccc(-c3cncc4ccc(C(=O)NC5CC5)cc34)cc2)cn1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL4791276 OBDepict CH 3 N O NH 2 O H 3 C CH 3 N IC50 = 1.5 nM 271.32 CCn1c(C(N)=O)cc2c1-c1ccncc1OC2(C)C Homo sapiens CHEMBL4742449 cell-based format
CHEMBL3798944 OBDepict O N H N Cl N N N OH CH 3 H 3 C IC50 = 1.6 nM 480.01 CC(C)(O)Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1 Homo sapiens CHEMBL3803436 single protein format
CHEMBL3797855 OBDepict O N H N Cl N N H N H 2 N IC50 = 1.7 nM 396.88 Nc1n[nH]c2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc12 Homo sapiens CHEMBL3803436 single protein format
CHEMBL3828637 OBDepict CH 3 HN O N N N S CH 3 O O IC50 = 1.7 nM 368.42 CNC(=O)c1ccc2cncc(-c3ccc4c(c3)CS(=O)(=O)N4C)c2n1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3798853 OBDepict O N H O N Cl N NH 2 N S CH 3 O O IC50 = 1.9 nM 463.95 CN1c2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CC3)CNC(=O)O4)cc2CS1(=O)=O Homo sapiens CHEMBL3803436 single protein format
CHEMBL3827799 OBDepict CH 3 N N N N N O IC50 = 2.0 nM 369.43 Cn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CCC5)nc34)cc2)cn1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL4877883 OBDepict O NH N N Cl N N H N N CH 3 IC50 = 2.0 nM 435.92 Cn1ncc2cc(-c3cnc4[nH]nc(Cl)c4c3N3CCC4(CCNC4=O)CC3)ccc21 Homo sapiens CHEMBL4828665 cell-based format
CHEMBL3966985 OBDepict Cl H N O N CH 3 N H IC50 = 2.0 nM 325.8 Cc1n[nH]c2ccc(C(=O)N3CC[C@H]3c3ccc(Cl)cc3)cc12 Homo sapiens CHEMBL3854802 cell-based format
CHEMBL3799581 OBDepict O N H N Cl N NH 2 N H N H 2 N IC50 = 2.1 nM 411.9 Nc1ncc(-c2ccc3c(N)n[nH]c3c2)c(N2CCC3(CCNC3=O)CC2)c1Cl Homo sapiens CHEMBL3803436 single protein format
CHEMBL3799212 OBDepict O N H N Cl N NH 2 N S CH 3 O O IC50 = 2.3 nM 461.98 CN1c2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)cc2CS1(=O)=O Homo sapiens CHEMBL3803436 single protein format
CHEMBL3799307 OBDepict O N H O N Cl N N S CH 3 O O IC50 = 2.3 nM 448.93 CN1c2ccc(-c3cncc(Cl)c3N3CCC4(CC3)CNC(=O)O4)cc2CS1(=O)=O Homo sapiens CHEMBL3803436 single protein format
CHEMBL3798382 OBDepict O HN N Cl N NH 2 N N H 3 C IC50 = 2.3 nM 410.91 Cn1ncc2cc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)ccc21 Homo sapiens CHEMBL3803436 single protein format
CHEMBL3797571 OBDepict O N H N Cl N N S CH 3 O O IC50 = 2.4 nM 446.96 CN1c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2CS1(=O)=O Homo sapiens CHEMBL3803436 single protein format
CHEMBL3800311 OBDepict O N H N Cl N N H S O O IC50 = 2.4 nM 432.93 O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc3c(c1)CS(=O)(=O)N3)CC2 Homo sapiens CHEMBL3803436 single protein format
CHEMBL3798987 OBDepict O HN NH O N Cl N N S H 3 C O O IC50 = 2.4 nM 461.93 CN1c2ccc(-c3cncc(Cl)c3N3CCC4(CC3)NC(=O)NC4=O)cc2CS1(=O)=O Homo sapiens CHEMBL3803436 single protein format
CHEMBL3827118 OBDepict H 3 C O N O N N N N CH 3 IC50 = 2.5 nM 399.45 COC1CN(C(=O)c2ccc3cncc(-c4ccc(-c5cnn(C)c5)cc4)c3n2)C1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3799396 OBDepict O N H N CH 3 N Cl N N S H 3 C O O IC50 = 2.7 nM 459.96 CC1=NNC(=O)C12CCN(c1c(Cl)cncc1-c1ccc3c(c1)CS(=O)(=O)N3C)CC2 Homo sapiens CHEMBL3803436 single protein format
CHEMBL3947140 OBDepict Cl H N O N N H 3 C N H IC50 = 2.8 nM 340.81 Cc1n[nH]c2ccc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)nc12 Homo sapiens CHEMBL3854802 cell-based format
CHEMBL3798804 OBDepict O N H HN O N Cl N NH 2 N N H 3 C IC50 = 2.8 nM 451.92 Cn1cc(-c2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CC3)NC(=O)NC4=O)cc2)cn1 Homo sapiens CHEMBL3803436 single protein format
CHEMBL3799824 OBDepict CH 3 HN N N H N N Cl O N H IC50 = 2.8 nM 410.91 CNc1n[nH]c2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc12 Homo sapiens CHEMBL3803436 single protein format
CHEMBL3799592 OBDepict O N H N Cl N N H 3 C N NH 2 IC50 = 3.2 nM 410.91 Cn1nc(N)c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc21 Homo sapiens CHEMBL3803436 single protein format
CHEMBL3797440 OBDepict O N H N F N NH 2 N S CH 3 O O IC50 = 3.3 nM 445.52 CN1c2ccc(-c3cnc(N)c(F)c3N3CCC4(CCNC4=O)CC3)cc2CS1(=O)=O Homo sapiens CHEMBL3803436 single protein format
CHEMBL3798726 OBDepict O N H N N F F F N S H 3 C O O IC50 = 3.3 nM 480.51 CN1c2ccc(-c3cncc(C(F)(F)F)c3N3CCC4(CCNC4=O)CC3)cc2CS1(=O)=O Homo sapiens CHEMBL3803436 single protein format
CHEMBL3827774 OBDepict CH 3 NH O N N N N H 3 C IC50 = 3.4 nM 317.35 CNC(=O)c1ccc2cncc(-c3ccc4c(cnn4C)c3)c2n1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3797317 OBDepict O N H N Cl N N CH 3 S O O IC50 = 3.7 nM 446.96 CN1c2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc2CS1(=O)=O Homo sapiens CHEMBL3803436 single protein format
CHEMBL3799116 OBDepict O N H N F N N S CH 3 O O IC50 = 3.8 nM 430.51 CN1c2ccc(-c3cncc(F)c3N3CCC4(CCNC4=O)CC3)cc2CS1(=O)=O Homo sapiens CHEMBL3803436 single protein format
CHEMBL3798632 OBDepict CH 3 N N N N Cl HN O N H IC50 = 3.9 nM 422.92 Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CC3)NCNC4=O)cc2)cn1 Homo sapiens CHEMBL3803436 single protein format
CHEMBL3799679 OBDepict O NH HN O N Cl N N N CH 3 IC50 = 4.2 nM 450.93 Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CC3)NC(=O)CNC4=O)cc2)cn1 Homo sapiens CHEMBL3803436 single protein format
CHEMBL3828458 OBDepict O N H N N N N N H 3 C IC50 = 4.2 nM 370.42 Cn1cc(-c2ccc(-c3cncc4ccc(N5CCNC5=O)nc34)cc2)cn1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3800037 OBDepict O N H O N F N N S CH 3 O O IC50 = 4.3 nM 432.48 CN1c2ccc(-c3cncc(F)c3N3CCC4(CC3)CNC(=O)O4)cc2CS1(=O)=O Homo sapiens CHEMBL3803436 single protein format
CHEMBL4578881 OBDepict Br CH 3 Br N N N HN ClH IC50 = 4.4 nM 450.61 Cc1c(Br)c(Br)c2c3c1nc(N1CCNCC1)n3CCC2.Cl Homo sapiens CHEMBL4413171 single protein format
CHEMBL3797495 OBDepict CH 3 N H N O N Cl N N S H 3 C O O IC50 = 4.5 nM 459.96 CC1=NC2(CCN(c3c(Cl)cncc3-c3ccc4c(c3)CS(=O)(=O)N4C)CC2)C(=O)N1 Homo sapiens CHEMBL3803436 single protein format
CHEMBL2103840 OBDepict HO H N N N H N N H 3 C + N _ O IC50 = 4.5 nM 396.5 CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@H]3CCO)nc12 Homo sapiens CHEMBL4805248 tissue-based format
CHEMBL3828209 OBDepict CH 3 N H O N N N CH 3 N IC50 = 4.6 nM 317.35 CNC(=O)c1ccc2cncc(-c3ccc4cnn(C)c4c3)c2n1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3828221 OBDepict CH 3 N N N N N N CH 3 IC50 = 4.7 nM 366.43 Cn1cc(-c2ccc(-c3cncc4ccc(-c5nccn5C)nc34)cc2)cn1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3828503 OBDepict O O N N N N H 3 C IC50 = 4.7 nM 370.41 Cn1cc(-c2ccc(-c3cncc4ccc(N5CCOC5=O)cc34)cc2)cn1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3797558 OBDepict H 3 C N N N N Cl NH 2 O N H IC50 = 5.0 nM 436.95 Cn1cc(-c2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1 Homo sapiens CHEMBL3803436 single protein format
CHEMBL3775935 OBDepict CH 3 N N N N H N O IC50 = 5.0 nM 385.47 Cn1cc(-c2ccc(Cc3n[nH]c4ccc(C(=O)N5CCCC5)cc34)cc2)cn1 Homo sapiens CHEMBL3779189 cell-based format
CHEMBL3798663 OBDepict OH N N N N Cl O NH IC50 = 5.5 nM 451.96 O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(-c3cnn(CCO)c3)cc1)CC2 Homo sapiens CHEMBL3803436 single protein format
CHEMBL3797656 OBDepict O N H O N F N NH 2 N S CH 3 O O IC50 = 5.5 nM 447.49 CN1c2ccc(-c3cnc(N)c(F)c3N3CCC4(CC3)CNC(=O)O4)cc2CS1(=O)=O Homo sapiens CHEMBL3803436 single protein format
CHEMBL3800080 OBDepict CH 3 N N N N Cl N CH 3 O N H IC50 = 5.7 nM 436.95 CN1CNC(=O)C12CCN(c1c(Cl)cncc1-c1ccc(-c3cnn(C)c3)cc1)CC2 Homo sapiens CHEMBL3803436 single protein format
CHEMBL3828071 OBDepict CH 3 N N N N H 2 N N O F F IC50 = 5.8 nM 420.42 Cn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)N5CC(F)(F)C5)nc34)cc2)cn1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3903492 OBDepict Cl H N O N N H 3 C N H IC50 = 6.5 nM 340.81 Cc1n[nH]c2ncc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cc12 Homo sapiens CHEMBL3854802 cell-based format
CHEMBL3800210 OBDepict O N H NH O N Cl N N N CH 3 IC50 = 7.0 nM 436.9 Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CC3)NC(=O)NC4=O)cc2)cn1 Homo sapiens CHEMBL3803436 single protein format
CHEMBL3408213 OBDepict CH 3 N N N N Cl O N H IC50 = 7.2 nM 421.93 Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1 Homo sapiens CHEMBL3803436 single protein format
CHEMBL3828553 OBDepict H 3 C O N O N NH 2 N N N H 3 C IC50 = 7.2 nM 414.47 COC1CN(C(=O)c2ccc3c(N)ncc(-c4ccc(-c5cnn(C)c5)cc4)c3n2)C1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3827678 OBDepict CH 3 N N N N N CH 3 IC50 = 7.3 nM 365.44 Cn1cc(-c2ccc(-c3cncc4ccc(-c5nccn5C)cc34)cc2)cn1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3827023 OBDepict CH 3 O CH 3 N O N H 2 N N N N CH 3 IC50 = 8.2 nM 428.5 COC1(C)CN(C(=O)c2ccc3c(N)ncc(-c4ccc(-c5cnn(C)c5)cc4)c3n2)C1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL4792974 OBDepict O N H HN O Cl F F F N N O N IC50 = 8.25 nM 525.87 O=C(Nc1ccc2c(c1)Oc1ncccc1C(=O)N2c1ccncc1)Nc1ccc(Cl)c(C(F)(F)F)c1 Homo sapiens CHEMBL4771288 single protein format
CHEMBL3774402 OBDepict H 3 C O N O N N H N N CH 3 IC50 = 9.0 nM 401.47 COC1CN(C(=O)c2ccc3[nH]nc(Cc4ccc(-c5cnn(C)c5)cc4)c3c2)C1 Homo sapiens CHEMBL3779189 cell-based format
CHEMBL3827664 OBDepict CH 3 N N N H 2 N HN O IC50 = 9.0 nM 383.46 Cn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)NC5CC5)cc34)cc2)cn1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3800105 OBDepict H 3 C N N N N NH 2 F F F O N H IC50 = 9.3 nM 470.5 Cn1cc(-c2ccc(-c3cnc(N)c(C(F)(F)F)c3N3CCC4(CCNC4=O)CC3)cc2)cn1 Homo sapiens CHEMBL3803436 single protein format
CHEMBL3797472 OBDepict O NH O N Cl N H 2 N N N CH 3 IC50 = 9.5 nM 438.92 Cn1cc(-c2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CC3)CNC(=O)O4)cc2)cn1 Homo sapiens CHEMBL3803436 single protein format
CHEMBL3828286 OBDepict CH 3 N N N N H 2 N N O H 3 C F IC50 = 9.8 nM 416.46 Cn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)N5CC(C)(F)C5)nc34)cc2)cn1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3828523 OBDepict CH 3 N N N N N O IC50 = 9.9 nM 383.46 Cn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CCCC5)nc34)cc2)cn1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL4788035 OBDepict O N H HN O N N O N IC50 = 9.96 nM 423.43 O=C(Nc1ccccc1)Nc1ccc2c(c1)Oc1ncccc1C(=O)N2c1ccncc1 Homo sapiens CHEMBL4771288 single protein format
CHEMBL3798886 OBDepict N N N CH 3 CH 3 Cl N N S CH 3 O O IC50 = 10.4 nM 474.03 CN(C)CCC1(C#N)CCN(c2c(Cl)cncc2-c2ccc3c(c2)CS(=O)(=O)N3C)CC1 Homo sapiens CHEMBL3803436 single protein format
CHEMBL3828084 OBDepict CH 3 N N N N H 2 N N O IC50 = 10.7 nM 384.44 Cn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)N5CCC5)nc34)cc2)cn1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3799742 OBDepict O N H O N Cl N N N CH 3 IC50 = 10.8 nM 423.9 Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CC3)CNC(=O)O4)cc2)cn1 Homo sapiens CHEMBL3803436 single protein format
CHEMBL3774885 OBDepict CH 3 N N N N H N O O IC50 = 11.0 nM 401.47 Cn1cc(-c2ccc(Cc3n[nH]c4ccc(C(=O)N5CCOCC5)cc34)cc2)cn1 Homo sapiens CHEMBL3779189 cell-based format
CHEMBL3828575 OBDepict CH 3 NH O N N HN S O O IC50 = 11.2 nM 354.39 CNC(=O)c1ccc2cncc(-c3ccc4c(c3)CS(=O)(=O)N4)c2n1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3799073 OBDepict O HN O N Cl N NH 2 N N H 3 C IC50 = 11.4 nM 412.88 Cn1ncc2cc(-c3cnc(N)c(Cl)c3N3CCC4(CC3)CNC(=O)O4)ccc21 Homo sapiens CHEMBL3803436 single protein format
CHEMBL4639890 OBDepict H 3 C N H 3 C H H HO O H HO H CH 3 H N IC50 = 12.0 nM 472.63 CN(C)[C@H]1C[C@@]23CC[C@]4(O2)C(=CC[C@]2(C)[C@@H](c5ccc6ccncc6c5)CC[C@@H]42)C=C3[C@@H](O)[C@@H]1O Homo sapiens CHEMBL4613410 single protein format
CHEMBL4080906 OBDepict H 3 C N H 3 C H H HO O H HO H CH 3 H N IC50 = 12.0 nM 472.63 CN(C)[C@H]1C[C@@]23CC[C@@]4(O2)C(=CC[C@]2(C)[C@@H](c5ccc6ccncc6c5)CC[C@@H]42)C=C3[C@@H](O)[C@@H]1O Homo sapiens CHEMBL4029487 single protein format
CHEMBL3895703 OBDepict CH 3 HN N N H N O H Cl IC50 = 12.0 nM 354.84 CNc1n[nH]c2ccc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cc12 Homo sapiens CHEMBL3854802 cell-based format
CHEMBL3798129 OBDepict Cl N N O HN N N S F F F H 3 C O O IC50 = 12.0 nM 513.93 CN1c2ccc(-c3cncc(Cl)c3N3CCC4(CC3)C(=O)NN=C4C(F)(F)F)cc2CS1(=O)=O Homo sapiens CHEMBL3803436 single protein format
CHEMBL3798568 OBDepict O NH O N N H 2 N F F F N N CH 3 IC50 = 12.1 nM 472.47 Cn1cc(-c2ccc(-c3cnc(N)c(C(F)(F)F)c3N3CCC4(CC3)CNC(=O)O4)cc2)cn1 Homo sapiens CHEMBL3803436 single protein format
CHEMBL3827053 OBDepict CH 3 N N N N N O F F IC50 = 12.6 nM 405.41 Cn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CC(F)(F)C5)nc34)cc2)cn1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3775384 OBDepict CH 3 N N N N H N O IC50 = 13.0 nM 399.5 Cn1cc(-c2ccc(Cc3n[nH]c4ccc(C(=O)N5CCCCC5)cc34)cc2)cn1 Homo sapiens CHEMBL3779189 cell-based format
CHEMBL223360 OBDepict O N H N H F CH 3 NH 2 N N H IC50 = 14.0 nM 375.41 Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1 Homo sapiens CHEMBL4220244 single protein format
CHEMBL3800432 OBDepict O O HN H 3 C CH 3 N Cl N N S H 3 C O O IC50 = 14.2 nM 476.99 CN1c2ccc(-c3cncc(Cl)c3N3CCC4(CC3)OC(=O)NC4(C)C)cc2CS1(=O)=O Homo sapiens CHEMBL3803436 single protein format
CHEMBL3797212 OBDepict CH 3 N N N N F F F O N H IC50 = 14.7 nM 455.48 Cn1cc(-c2ccc(-c3cncc(C(F)(F)F)c3N3CCC4(CCNC4=O)CC3)cc2)cn1 Homo sapiens CHEMBL3803436 single protein format
CHEMBL4167143 OBDepict H 3 C N H 3 C H H HO O H HO CH 3 H N IC50 = 15.0 nM 472.63 CN(C)[C@H]1C[C@@]23CC[C@@]4(O2)C(=CC[C@@]2(C)C4CC[C@@H]2c2ccc4ccncc4c2)C=C3[C@@H](O)[C@@H]1O Homo sapiens CHEMBL4150526 single protein format
CHEMBL4167193 OBDepict H 3 C N CH 3 H CH 3 H H H CH 3 H N IC50 = 16.0 nM 428.66 CN(C)[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](c5ccc6ccncc6c5)[C@@]4(C)CC[C@@H]32)C1 Homo sapiens CHEMBL4150526 single protein format
CHEMBL3828572 OBDepict CH 3 N N N N O IC50 = 16.0 nM 352.4 Cn1cc(-c2ccc(-c3cncc4ccc(-c5ncco5)cc34)cc2)cn1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3828370 OBDepict H 3 C O N O N N N CH 3 IC50 = 16.0 nM 398.47 COC1CN(C(=O)c2ccc3cncc(-c4ccc(-c5cnn(C)c5)cc4)c3c2)C1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3798419 OBDepict O N H N Cl N H 2 N N N OH CH 3 H 3 C IC50 = 16.4 nM 495.03 CC(C)(O)Cn1cc(-c2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1 Homo sapiens CHEMBL3803436 single protein format
CHEMBL4162429 OBDepict H 3 C N H 3 C H H HO O H HO CH 3 N IC50 = 17.0 nM 470.61 CN(C)[C@H]1C[C@@]23CC[C@@]4(O2)C(=CC[C@]2(C)C(c5ccc6ccncc6c5)=CCC24)C=C3[C@@H](O)[C@@H]1O Homo sapiens CHEMBL4150532 cell-based format
CHEMBL4227266 OBDepict CH 3 N N F F F N H N H O H N N N HN CH 3 IC50 = 17.4 nM 506.58 CCN1CCN(Cc2ccc(NC(=O)N[C@@H]3CCN(c4ccnc(NC)n4)C3)cc2C(F)(F)F)CC1 Homo sapiens CHEMBL4220244 single protein format
CHEMBL3798611 OBDepict O N H N H 3 C O N Cl N N N CH 3 IC50 = 17.5 nM 450.93 CN1C(=O)NC(=O)C12CCN(c1c(Cl)cncc1-c1ccc(-c3cnn(C)c3)cc1)CC2 Homo sapiens CHEMBL3803436 single protein format
CHEMBL3827944 OBDepict H 3 C NH O N N N N CH 3 IC50 = 17.5 nM 343.39 CC(=O)Nc1ccc2cncc(-c3ccc(-c4cnn(C)c4)cc3)c2n1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3827904 OBDepict CH 3 N N N H 2 N N O F F IC50 = 17.9 nM 419.44 Cn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)N5CC(F)(F)C5)cc34)cc2)cn1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3774959 OBDepict H 3 C O N O N N H N N CH 3 IC50 = 18.0 nM 375.43 COC1CN(C(=O)c2ccc3[nH]nc(Cc4ccc5c(cnn5C)c4)c3c2)C1 Homo sapiens CHEMBL3779189 cell-based format
CHEMBL3939280 OBDepict Br H N O N H 2 N N H IC50 = 19.0 nM 385.26 Nc1n[nH]c2ccc(C(=O)N3CCC[C@H]3c3ccc(Br)cc3)cc12 Homo sapiens CHEMBL3854802 cell-based format
CHEMBL3828689 OBDepict CH 3 N N N N O F F IC50 = 19.4 nM 404.42 Cn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CC(F)(F)C5)cc34)cc2)cn1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3827874 OBDepict CH 3 N N N H 2 N N O H 3 C F IC50 = 20.2 nM 415.47 Cn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)N5CC(C)(F)C5)cc34)cc2)cn1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3798430 OBDepict O N H N Cl N N N CH 3 CH 3 IC50 = 20.5 nM 435.96 Cc1nc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1C Homo sapiens CHEMBL3803436 single protein format
CHEMBL3800307 OBDepict O N H O N F N N N CH 3 IC50 = 20.6 nM 407.45 Cn1cc(-c2ccc(-c3cncc(F)c3N3CCC4(CC3)CNC(=O)O4)cc2)cn1 Homo sapiens CHEMBL3803436 single protein format
CHEMBL3827758 OBDepict H 3 C O N O NH 2 N N N H 3 C IC50 = 21.0 nM 413.48 COC1CN(C(=O)c2ccc3c(N)ncc(-c4ccc(-c5cnn(C)c5)cc4)c3c2)C1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3361254 OBDepict H 2 N O H S N O N H H N O IC50 = 22.0 nM 416.55 NC(=O)C[C@H]1CCc2sc3ncnc(O[C@H]4CC[C@H](N5CCOCC5)CC4)c3c21 Homo sapiens CHEMBL4029486 cell-based format
CHEMBL3827586 OBDepict CH 3 O CH 3 N O H 2 N N N N CH 3 IC50 = 23.1 nM 427.51 COC1(C)CN(C(=O)c2ccc3c(N)ncc(-c4ccc(-c5cnn(C)c5)cc4)c3c2)C1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL3827605 OBDepict O O N NH 2 N N N H 3 C IC50 = 24.0 nM 385.43 Cn1cc(-c2ccc(-c3cnc(N)c4ccc(N5CCOC5=O)cc34)cc2)cn1 Homo sapiens CHEMBL3829689 cell-based format
CHEMBL4174408 OBDepict H N N H N CH 3 H H H CH 3 H N IC50 = 24.0 nM 454.66 C[C@]12CC[C@H](n3ccnn3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc4ccncc4c3)CC[C@@H]12 Homo sapiens CHEMBL4150526 single protein format
CHEMBL4162650 OBDepict H 3 C N H 3 C H H CH 3 H H H CH 3 H N IC50 = 24.0 nM 430.68 CN(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4ccc5ccncc5c4)CC[C@@H]32)C1 Homo sapiens CHEMBL4150526 single protein format
CHEMBL3775134 OBDepict CH 3 N N N N H N O F F IC50 = 25.0 nM 407.42 Cn1cc(-c2ccc(Cc3n[nH]c4ccc(C(=O)N5CC(F)(F)C5)cc34)cc2)cn1 Homo sapiens CHEMBL3779189 cell-based format