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Q14680 | MELK_HUMAN | Maternal embryonic leucine zipper kinase (MELK)

3D structures mapped by conservation among orthologs

[ Domain: "RuvA-C, UBA, CRAL/TRIO-N, HBS1" // UBA_MELK ]

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[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL4077934 OBDepict H 3 C O N N H NH O N O N N H N H IC50 = 0.15 nM 563.66 COc1ccc2nc(CNC(=O)c3ccc(-c4cnc(Nc5ccccc5)nc4OCC4CCNCC4)cc3)[nH]c2c1 Homo sapiens CHEMBL4006633 single protein format
CHEMBL3688376 OBDepict HO O N HN N H H N Cl Cl CH 3 CH 3 OH IC50 = 0.3 nM 503.43 CN(C)C[C@H]1CC[C@H](Nc2c(C(=O)CO)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)nc23)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3688335 OBDepict H 3 C N H 3 C H H NH N N O CH 3 Cl Cl HO IC50 = 0.3 nM 473.4 CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](N(C)C)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3824328 OBDepict F N N N O O N HN IC50 = 0.3 nM 437.52 Fc1cc(N2CCOCC2)ccc1-n1cc(-c2ccncc2OCC2CCNCC2)cn1 Homo sapiens CHEMBL3824963 single protein format
CHEMBL4062168 OBDepict H 3 C O O N H O N H N CH 3 O N N CH 3 Ki = 0.39 nM 539.64 COC(=O)c1ccc2c(c1)/C(=C(/Nc1ccc(N(C)C(=O)CN3CCN(C)CC3)cc1)c1ccccc1)C(=O)N2 Homo sapiens CHEMBL4029820 cell-based format
CHEMBL3688339 OBDepict H NH H N N N O CH 3 H 3 C CH 3 Cl Cl HO IC50 = 0.4 nM 487.43 CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN(C)C)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3692787 OBDepict H N H H N N N O H 3 C Cl Cl HO IC50 = 0.4 nM 513.47 CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3692824 OBDepict O N N H N N N F Cl HO H NH 2 IC50 = 0.46 nM 533.01 N[C@@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)nc34)cn2)C1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL1908392 OBDepict H 3 C N N N O CH 3 N H O N H Ki = 0.47 nM 481.6 CN1CCN(CC(=O)N(C)c2ccc(N/C(=C3C(=O)Nc4ccccc43)c3ccccc3)cc2)CC1 Homo sapiens CHEMBL4029820 cell-based format
CHEMBL3692797 OBDepict CH 3 O N NH N N N Cl Cl OH H H 2 N IC50 = 0.5 nM 523.42 CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1Nc1ccc(N2CCC[C@H](N)C2)nc1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3692807 OBDepict O N HN N H H N H 3 C CH 3 F Cl OH IC50 = 0.5 nM 482.99 CN(C)[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)nc23)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3688348 OBDepict CH 3 N H 3 C H H HN N S N O O CH 3 Cl Cl OH IC50 = 0.5 nM 509.46 CN(C)[C@H]1CC[C@H](Nc2c(S(C)(=O)=O)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)nc23)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3688337 OBDepict H 3 C N H 3 C H H HN N N O Cl Cl OH IC50 = 0.5 nM 513.47 CN(C)C[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)nc23)CC1 Homo sapiens CHEMBL3706362 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 = 0.542 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328495 single protein format
CHEMBL3692806 OBDepict H 3 C N CH 3 H H HN N N O Cl Cl OH IC50 = 0.6 nM 499.44 CN(C)[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)nc23)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3692815 OBDepict H HN H N CH 3 CH 3 N N O CH 3 Cl Cl HO IC50 = 0.6 nM 487.43 CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1NC[C@H]1CC[C@H](N(C)C)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3692820 OBDepict H NH H N N N O CH 3 H 3 C CH 3 Cl Cl HO IC50 = 0.6 nM 487.43 CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@@H](CN(C)C)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3688380 OBDepict OH N CH 3 H H HN N N O CH 3 Cl Cl HO IC50 = 0.6 nM 517.46 CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN(C)CCO)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3692796 OBDepict H NH H N N N O CH 3 N H Cl Cl OH IC50 = 0.6 nM 528.48 CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN2CCNCC2)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3684241 OBDepict O N H H 2 N H 3 C H H H NH N O CH 3 Cl Cl HO IC50 = 0.66 nM 515.44 CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@H](C)N)CC1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL4089284 OBDepict CH 3 N N N O CH 3 N H O N H O HO Ki = 0.68 nM 525.61 CN1CCN(CC(=O)N(C)c2ccc(N/C(=C3C(=O)Nc4ccc(C(=O)O)cc43)c3ccccc3)cc2)CC1 Homo sapiens CHEMBL4029820 cell-based format
CHEMBL3688342 OBDepict H NH H N N O CH 3 N H 3 C CH 3 Cl Cl HO IC50 = 0.7 nM 501.46 CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CCN(C)C)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3688360 OBDepict CH 3 N N H N N O CH 3 Cl Cl OH IC50 = 0.7 nM 459.38 CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1NCC1CCN(C)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3679230 OBDepict OH N H H NH N O Cl Cl OH IC50 = 0.73 nM 554.52 O=C(c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](CN2CCC(O)C2)CC1)C1CC1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3679276 OBDepict O N N H N N F Cl HO H NH 2 IC50 = 0.76 nM 532.02 N[C@@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc34)cn2)C1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3688338 OBDepict H 3 C N H 3 C H H HN N N O F Cl OH IC50 = 0.8 nM 497.01 CN(C)C[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)nc23)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3692789 OBDepict H NH H N N N O CH 3 N CH 3 Cl Cl OH IC50 = 0.8 nM 542.51 CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN2CCN(C)CC2)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3674198 OBDepict CH 3 O OH Cl N N O N CH 3 CH 3 IC50 = 0.8 nM 494.04 COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC(CN(C)C)CC4)c3c2)cc(Cl)c1O Homo sapiens CHEMBL3705873 single protein format
CHEMBL3679261 OBDepict HO N H 3 C H H HN N O Cl Cl OH IC50 = 0.8 nM 542.51 CN(CCO)C[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3674217 OBDepict H 3 C N H 3 C H H HN N O Cl Cl OH IC50 = 0.85 nM 512.48 CN(C)C[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3679305 OBDepict NH 2 N N HN N O CH 3 Cl Cl HO IC50 = 0.86 nM 522.44 CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CCCC(N)C2)nc1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3684173 OBDepict CH 3 N N N N H N O CH 3 Cl Cl OH IC50 = 0.9 nM 496.4 CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1Nc1cnn(C2CCN(C)C2)c1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3692788 OBDepict CH 3 O N N H N H H N F Cl OH IC50 = 0.9 nM 497.01 CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3688347 OBDepict CH 3 O OH Cl N N HN S H O O CH 3 H N CH 3 CH 3 IC50 = 0.9 nM 519.07 COc1cc(-c2ccc3ncc(S(C)(=O)=O)c(N[C@H]4CC[C@H](CN(C)C)CC4)c3n2)cc(Cl)c1O Homo sapiens CHEMBL3706362 single protein format
CHEMBL3692823 OBDepict O N N H N N N Cl Cl OH H H 2 N IC50 = 0.93 nM 549.46 N[C@@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)nc34)cn2)C1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3684267 OBDepict NH 2 N N N H S N O O CH 3 Cl Cl HO IC50 = 0.94 nM 558.49 CS(=O)(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CCCC(N)C2)nc1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3692809 OBDepict O N N H N N N F Cl HO H NH 2 IC50 = 1.0 nM 533.01 N[C@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)nc34)cn2)C1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3688381 OBDepict OH N CH 3 H H HN N N O CH 3 F Cl HO IC50 = 1.0 nM 501.0 CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN(C)CCO)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3688345 OBDepict H HN H N S N N O O CH 3 CH 3 H 3 C Cl Cl OH IC50 = 1.0 nM 523.49 CN(C)C[C@H]1CC[C@H](Nc2c(S(C)(=O)=O)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)nc23)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3679275 OBDepict O N N H N N Cl Cl OH H H 2 N IC50 = 1.0 nM 548.47 N[C@@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc34)cn2)C1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3679369 OBDepict CH 3 O HO Cl N NH H O CH 3 H N CH 3 H 3 C IC50 = 1.0 nM 482.02 COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@@H]4CCC[C@@H](CN(C)C)C4)c3c2)cc(Cl)c1O Homo sapiens CHEMBL3705873 single protein format
CHEMBL3692801 OBDepict O N H H N H H H N H N N O CH 3 Cl Cl OH IC50 = 1.0 nM 542.47 CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3692835 OBDepict H 3 C O N N H N N N F Cl HO H H 2 N IC50 = 1.1 nM 521.0 CCC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1Nc1ccc(N2CCC[C@@H](N)C2)nc1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL4088246 OBDepict O N H N N H N O N N H N H IC50 = 1.1 nM 533.64 O=C(NCc1nc2ccccc2[nH]1)c1ccc(-c2cnc(Nc3ccccc3)nc2OCC2CCNCC2)cc1 Homo sapiens CHEMBL4006633 single protein format
CHEMBL3684155 OBDepict OH H N H H HN N O CH 3 Cl Cl HO IC50 = 1.1 nM 542.51 CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](CN2CCC[C@H]2CO)CC1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3674288 OBDepict CH 3 O OH Cl N N O N O N CH 3 CH 3 IC50 = 1.1 nM 523.03 COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCN(C(=O)CN(C)C)CC4)c3c2)cc(Cl)c1O Homo sapiens CHEMBL3705873 single protein format
CHEMBL3679253 OBDepict NH 2 N N N N H N O F Cl OH IC50 = 1.1 nM 533.01 NC1CCCN(c2ncc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc34)cn2)C1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3679272 OBDepict O N N H N N Cl Cl OH H H 2 N IC50 = 1.1 nM 548.47 N[C@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc34)cn2)C1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3674238 OBDepict H 3 C N CH 3 H H NH N O CH 3 Cl Cl HO IC50 = 1.1 nM 486.44 CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](CN(C)C)CC1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3692819 OBDepict H 3 C N CH 3 H H NH N N O CH 3 F Cl HO IC50 = 1.1 nM 470.98 CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@@H](CN(C)C)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3679277 OBDepict H 3 C N H 3 C OH H HN N O Cl Cl OH IC50 = 1.1 nM 528.48 CN(C)C[C@]1(O)CC[C@@H](Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3679328 OBDepict O N N H N N H Cl Cl HO H H 2 N IC50 = 1.1 nM 536.46 N[C@H]1CC[C@H](n2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc34)cn2)CC1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3688372 OBDepict O N N H N N N Cl Cl OH H H 2 N IC50 = 1.2 nM 549.46 N[C@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)nc34)cn2)C1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3692790 OBDepict NH 2 N N HN N N O CH 3 Cl Cl HO IC50 = 1.2 nM 523.42 CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1Nc1ccc(N2CCCC(N)C2)nc1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3688336 OBDepict CH 3 O N NH N H H N CH 3 H 3 C F Cl HO IC50 = 1.2 nM 456.95 CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](N(C)C)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3692783 OBDepict N N N N N HN H O CH 3 H N H 3 C CH 3 IC50 = 1.2 nM 429.53 CC(=O)c1cnc2ccc(-c3cnc(C#N)nc3)nc2c1N[C@H]1CC[C@H](CN(C)C)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3679265 OBDepict CH 3 O OH Cl N HN O CH 3 NH 2 IC50 = 1.2 nM 480.01 COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NC4CCC(C)(N)CC4)c3c2)cc(Cl)c1O Homo sapiens CHEMBL3705873 single protein format
CHEMBL3684288 OBDepict H 3 C O N N H N N Cl Cl HO H H 2 N IC50 = 1.2 nM 536.46 CCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CCC[C@H](N)C2)nc1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3692793 OBDepict CH 3 O N NH N H H H 2 N F Cl HO IC50 = 1.2 nM 428.9 CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](N)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3692795 OBDepict NH 2 N H O H 3 C CH 3 H H NH N N O CH 3 F Cl OH IC50 = 1.2 nM 528.03 CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](NC(=O)C(N)C(C)C)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3684165 OBDepict H 3 C NH N N NH N O CH 3 F Cl OH IC50 = 1.2 nM 520.01 CNC1CCCN(c2ccc(Nc3c(C(C)=O)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc34)cn2)C1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3679223 OBDepict H 3 C N N N N H N O Cl Cl HO IC50 = 1.3 nM 536.46 CN1CCC(n2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc34)cn2)CC1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3692826 OBDepict HO O N HN N H H N F Cl CH 3 CH 3 OH IC50 = 1.3 nM 486.98 CN(C)C[C@H]1CC[C@H](Nc2c(C(=O)CO)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)nc23)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3674186 OBDepict H 3 C O HO Cl N N O N CH 3 H 3 C CH 3 IC50 = 1.3 nM 508.06 COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC(C(C)N(C)C)CC4)c3c2)cc(Cl)c1O Homo sapiens CHEMBL3705873 single protein format
CHEMBL3692828 OBDepict H 3 C O N NH N H H N Cl Cl CH 3 H 3 C HO IC50 = 1.3 nM 501.46 CCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN(C)C)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3692836 OBDepict H 3 C O N N H N N N Cl Cl HO H H 2 N IC50 = 1.3 nM 537.45 CCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1Nc1ccc(N2CCC[C@@H](N)C2)nc1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3679325 OBDepict H 3 C N N N N H N O Cl Cl HO IC50 = 1.3 nM 536.46 CN1CCCC(n2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc34)cn2)C1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3674356 OBDepict NH 2 HN N O N N N IC50 = 1.3 nM 420.48 N#Cc1ncc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(CN)cc4)c3c2)cn1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3688340 OBDepict H 3 C N CH 3 H H NH N N O CH 3 F Cl HO IC50 = 1.3 nM 470.98 CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN(C)C)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3679231 OBDepict O N NH NH 2 H 3 C H 3 C Cl Cl HO IC50 = 1.4 nM 506.43 CC(C)(N)c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)cc1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3688346 OBDepict CH 3 N H 3 C H H HN N S N O O CH 3 F Cl OH IC50 = 1.4 nM 507.03 CN(C)C[C@H]1CC[C@H](Nc2c(S(C)(=O)=O)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)nc23)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3684175 OBDepict CH 3 N H 3 C H H HN N O CH 3 Cl Cl HO IC50 = 1.4 nM 500.47 CCN(C)C[C@H]1CC[C@H](Nc2c(C(C)=O)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3679324 OBDepict CH 3 O N NH N N Cl Cl OH HN IC50 = 1.4 nM 508.41 CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CCNCC2)nc1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3679162 OBDepict H 3 C NH H H HN N O N N N IC50 = 1.4 nM 426.52 CN[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)cnc3ccc(-c4cnc(C#N)nc4)cc23)CC1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3684193 OBDepict H 3 C N N N N H N O H 3 C Cl Cl HO IC50 = 1.4 nM 510.43 CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1Nc1cnn(C2CCN(C)CC2)c1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3692832 OBDepict O N N H N N N F Cl OH H H 2 N IC50 = 1.4 nM 547.03 N[C@H]1CCCN(c2ccc(Nc3c(C(=O)C4CCC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)nc34)cn2)C1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3674363 OBDepict H 3 C O OH Cl N HN H O H NH H 3 C IC50 = 1.4 nM 480.01 CN[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(OC)c4)cc23)CC1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3688343 OBDepict H 3 C N CH 3 H H NH N N O CH 3 F Cl HO IC50 = 1.4 nM 485.0 CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CCN(C)C)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3679337 OBDepict H 3 C O N NH H H N Cl Cl CH 3 H 3 C HO IC50 = 1.5 nM 500.47 CCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](CN(C)C)CC1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3688385 OBDepict H 3 C N H N N NH N N O CH 3 Cl Cl OH IC50 = 1.5 nM 523.42 CNC1CCN(c2ccc(Nc3c(C(C)=O)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)nc34)cn2)C1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL4071823 OBDepict H 3 C O N N H NH O N O N H IC50 = 1.5 nM 471.56 COc1ccc2nc(CNC(=O)c3ccc(-c4cnccc4OCC4CCNCC4)cc3)[nH]c2c1 Homo sapiens CHEMBL4006633 single protein format
CHEMBL3679255 OBDepict NH 2 N N N N H N O Cl Cl OH IC50 = 1.5 nM 549.46 NC1CCCN(c2ncc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc34)cn2)C1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3684166 OBDepict CH 3 HN N N N H N O Cl Cl OH IC50 = 1.5 nM 562.5 CNC1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc34)cn2)C1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3679222 OBDepict H 3 C N N N N H N O F Cl HO IC50 = 1.5 nM 520.01 CN1CCC(n2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc34)cn2)CC1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3688341 OBDepict CH 3 O OH Cl N N HN H O H 3 C H N CH 3 CH 3 IC50 = 1.5 nM 483.01 COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](CN(C)C)CC4)c3n2)cc(Cl)c1O Homo sapiens CHEMBL3706362 single protein format
CHEMBL3679370 OBDepict OH N H H N H N O CH 3 Cl Cl OH IC50 = 1.5 nM 528.48 CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](CN2CCC(O)C2)CC1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3679322 OBDepict F NH H H NH N O Cl Cl HO IC50 = 1.5 nM 530.47 O=C(c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](CNCCF)CC1)C1CC1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3674320 OBDepict N N N N N H O N N N H 3 C IC50 = 1.5 nM 490.57 CN1CCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cnc(C#N)nc5)cc34)cn2)CC1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL4092605 OBDepict CH 3 N H N N O N H HN O N N H O H 3 C IC50 = 1.5 nM 501.59 CNc1ncc(-c2ccc(C(=O)NCc3nc4ccc(OC)cc4[nH]3)cc2)c(OCC2CCNCC2)n1 Homo sapiens CHEMBL4006633 single protein format
CHEMBL3692825 OBDepict HO O N HN N H H N H 3 C CH 3 Cl Cl OH IC50 = 1.5 nM 489.4 CN(C)[C@H]1CC[C@H](Nc2c(C(=O)CO)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)nc23)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3684181 OBDepict H 3 C O N N H N N Cl Cl HO H 2 N IC50 = 1.6 nM 536.46 CCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CCCC(N)C2)nc1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3688364 OBDepict F OH Cl N N HN S H O O CH 3 H N H 3 C CH 3 IC50 = 1.6 nM 493.0 CN(C)[C@H]1CC[C@H](Nc2c(S(C)(=O)=O)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)nc23)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3679354 OBDepict CH 3 O OH Cl N N H H O CH 3 H N IC50 = 1.6 nM 508.06 COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](CN5CCCC5)CC4)c3c2)cc(Cl)c1O Homo sapiens CHEMBL3705873 single protein format
CHEMBL3674328 OBDepict CH 3 O HO Cl N N O CH 3 N O N H 3 C CH 3 IC50 = 1.6 nM 497.0 COc1cc(-c2ccc3ncc(C(C)=O)c(N4CCN(C(=O)CN(C)C)CC4)c3c2)cc(Cl)c1O Homo sapiens CHEMBL3705873 single protein format
CHEMBL3674194 OBDepict CH 3 O OH N HN H O H N H 3 C CH 3 IC50 = 1.6 nM 459.59 COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](N(C)C)CC4)c3c2)ccc1O Homo sapiens CHEMBL3705873 single protein format
CHEMBL3684263 OBDepict NH 2 N N N H S N O O CH 3 F Cl HO IC50 = 1.6 nM 542.04 CS(=O)(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CCCC(N)C2)nc1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3679226 OBDepict O N N Cl Cl N H HO IC50 = 1.6 nM 524.49 O=C(c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N1CCC(C2CCNCC2)CC1)C1CC1 Homo sapiens CHEMBL3705873 single protein format
CHEMBL3692805 OBDepict NH 2 N H O H 3 C CH 3 H H NH N N O CH 3 Cl Cl OH IC50 = 1.6 nM 544.48 CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](NC(=O)C(N)C(C)C)CC1 Homo sapiens CHEMBL3706362 single protein format
CHEMBL3679260 OBDepict OH N H 3 C H H NH N O Cl O HO H 3 C IC50 = 1.6 nM 538.09 COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](CN(C)CCO)CC4)c3c2)cc(Cl)c1O Homo sapiens CHEMBL3705873 single protein format
CHEMBL3674366 OBDepict O N N H N N F Cl HN HO IC50 = 1.6 nM 505.98 O=C(c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1cnn(C2CCNCC2)c1)C1CC1 Homo sapiens CHEMBL3705873 single protein format