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Q15910 | EZH2_HUMAN | Histone-lysine N-methyltransferase EZH2 (EZH2)

3D structures mapped by conservation among orthologs

[ Domain: "tri-helical" // KOG1079_1st ]

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[ Domain: "tri-helical" // Myb_DNA-binding_3 ]

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[ Domain: "Ezh2 MCSS domain" // KOG1079_2nd ]

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[ Domain: "Ezh2 N-terminal domain" // EZH2_WD-Binding ]

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[ Domain: "Zn3Cys9 preSET domain-related" // KOG1079_3rd ]

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[ Domain: "Zn3Cys9 preSET domain-related" // KOG1079_4th ]

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[ Domain: "SET domain-like" // SET ]

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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
CHEMBL4639983 OBDepict H 3 C S H 3 C N N H O H O CH 3 N N CH 3 H H H N O IC50 = 0.057 nM 563.77 CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CC[C@H](N3CC(OC4CC4)C3)CC2)c2ncccc12 Homo sapiens CHEMBL4618933 cell-based format
CHEMBL4640994 OBDepict H 3 C O N H H N H 3 C H CH 3 N H O S O N H 3 C H CH 3 IC50 = 0.059 nM 536.74 COC1CN([C@H]2CC[C@H]([C@@H](C)n3c(C)c(C(=O)NCc4c(SC)cc(C)[nH]c4=O)c4ccccc43)CC2)C1 Homo sapiens CHEMBL4618933 cell-based format
CHEMBL4638754 OBDepict H 3 C S H 3 C N N H O H O CH 3 N N CH 3 H F H H N O IC50 = 0.06 nM 581.76 CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CC[C@H](N3CC(OC4CC4)C3)CC2)c2ncc(F)cc12 Homo sapiens CHEMBL4618933 cell-based format
CHEMBL4637572 OBDepict H 3 C S H 3 C N N H O H O CH 3 N CH 3 H F H H N O IC50 = 0.063 nM 580.77 CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CC[C@H](N3CC(OC4CC4)C3)CC2)c2c(F)cccc12 Homo sapiens CHEMBL4618933 cell-based format
CHEMBL4635809 OBDepict H 3 C S H 3 C N HN O H O H 3 C N H 3 C H N HO CH 3 CH 3 IC50 = 0.067 nM 524.73 CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(C)(C)O)CC2)c2ccccc12 Homo sapiens CHEMBL4618933 cell-based format
CHEMBL4635863 OBDepict H 3 C S H 3 C N N H O H O CH 3 N CH 3 H H H N O IC50 = 0.072 nM 562.78 CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CC[C@H](N3CC(OC4CC4)C3)CC2)c2ccccc12 Homo sapiens CHEMBL4618933 cell-based format
CHEMBL4635102 OBDepict H 3 C S H 3 C N N H O H O CH 3 N N CH 3 H Cl H H N O IC50 = 0.092 nM 598.21 CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CC[C@H](N3CC(OC4CC4)C3)CC2)c2ncc(Cl)cc12 Homo sapiens CHEMBL4618933 cell-based format
CHEMBL4080228 OBDepict CH 3 O H 3 C N N O H O Cl Cl O H CH 3 O Ki < 0.1 nM 467.35 COc1cc(C)[nH]c(=O)c1CN1CCc2c(Cl)cc([C@H](OC)C3COC3)c(Cl)c2C1=O Homo sapiens CHEMBL4027398 assay format
CHEMBL4639913 OBDepict H 3 C S H 3 C N N H O H O CH 3 N CH 3 H H H N O F F IC50 = 0.1 nM 572.72 CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CC[C@H](N3CC(OC(F)F)C3)CC2)c2ccccc12 Homo sapiens CHEMBL4618933 cell-based format
CHEMBL4633923 OBDepict H 3 C S H 3 C N N H O H O CH 3 N N N CH 3 H H H N O IC50 = 0.1 nM 564.76 CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CC[C@H](N3CC(OC4CC4)C3)CC2)c2ncncc12 Homo sapiens CHEMBL4618933 cell-based format
CHEMBL4633932 OBDepict H 3 C S H 3 C N N H O H O H 3 C N CH 3 H N O IC50 = 0.12 nM 508.69 CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(C3COC3)CC2)c2ccccc12 Homo sapiens CHEMBL4618933 cell-based format
CHEMBL4634677 OBDepict H 3 C S CH 3 N N H O H O CH 3 N H 3 C H H H N H O IC50 = 0.13 nM 522.72 CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CC[C@H](NC3COC3)CC2)c2ccccc12 Homo sapiens CHEMBL4618933 cell-based format
CHEMBL4637958 OBDepict H 3 C S H 3 C N N H O H O CH 3 N CH 3 H H H N O F F F IC50 = 0.14 nM 590.71 CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CC[C@H](N3CC(OC(F)(F)F)C3)CC2)c2ccccc12 Homo sapiens CHEMBL4618933 cell-based format
CHEMBL4080606 OBDepict HO Cl Cl O O N CH 3 O N H CH 3 Ki = 0.15 nM 479.4 Cc1cc(C)c(CN2CCc3c(Cl)cc(C(CO)C4CCOCC4)c(Cl)c3C2=O)c(=O)[nH]1 Homo sapiens CHEMBL4027398 assay format
CHEMBL4082565 OBDepict CH 3 O H 3 C N N O H O Cl Cl CH 3 N H 3 C O Ki = 0.15 nM 462.33 COc1cc(C)[nH]c(=O)c1CN1CCc2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O Homo sapiens CHEMBL4027398 assay format
CHEMBL4649131 OBDepict CH 3 S CH 3 N NH O H O CH 3 N CH 3 H H O O H N H 3 C H 3 C IC50 = 0.16 nM 498.65 CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2OC[C@H](N(C)C)CO2)c2ccccc12 Homo sapiens CHEMBL4618933 cell-based format
CHEMBL4639569 OBDepict CH 3 S CH 3 N N H O H O CH 3 N H 3 C H H H N F F IC50 = 0.18 nM 542.7 CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CC[C@@H](N3CC(F)(F)C3)CC2)c2ccccc12 Homo sapiens CHEMBL4618933 cell-based format
CHEMBL4639616 OBDepict CH 3 S CH 3 N NH O H O CH 3 N CH 3 H N F F F IC50 = 0.18 nM 534.65 CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)F)CC2)c2ccccc12 Homo sapiens CHEMBL4618933 cell-based format
CHEMBL4633053 OBDepict CH 3 Cl N NH O H O CH 3 N CH 3 H N F F F IC50 = 0.2 nM 523.0 Cc1cc(Cl)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)F)CC2)c2ccccc12 Homo sapiens CHEMBL4618933 cell-based format
CHEMBL4644363 OBDepict CH 3 O N H H 3 C O NH O CH 3 N CH 3 H N F F F IC50 = 0.2 nM 518.58 COc1cc(C)c(CNC(=O)c2c(C)n([C@H](C)C3CCN(CC(F)(F)F)CC3)c3ccccc23)c(=O)[nH]1 Homo sapiens CHEMBL4618933 cell-based format
CHEMBL4641325 OBDepict CH 3 H 3 C N HN O H O H 3 C N H 3 C H N F F F IC50 = 0.2 nM 502.58 Cc1cc(C)c(CNC(=O)c2c(C)n([C@H](C)C3CCN(CC(F)(F)F)CC3)c3ccccc23)c(=O)[nH]1 Homo sapiens CHEMBL4618933 cell-based format
CHEMBL4632988 OBDepict Cl H 3 C N HN O H O H 3 C N H 3 C H N F F F IC50 = 0.2 nM 523.0 Cc1cc(Cl)c(CNC(=O)c2c(C)n([C@H](C)C3CCN(CC(F)(F)F)CC3)c3ccccc23)c(=O)[nH]1 Homo sapiens CHEMBL4618933 cell-based format
CHEMBL4080043 OBDepict OH H H O Cl Cl O N CH 3 O N H CH 3 Ki = 0.24 nM 465.38 Cc1cc(C)c(CN2CCc3c(Cl)cc([C@H](CO)[C@H]4CCOC4)c(Cl)c3C2=O)c(=O)[nH]1 Homo sapiens CHEMBL4027398 assay format
CHEMBL4634390 OBDepict O N H CH 3 N CH 3 H S O N H CH 3 N F F F IC50 = 0.49 nM 574.71 Cc1cc(SC2CCC2)c(CNC(=O)c2c(C)n([C@H](C)C3CCN(CC(F)(F)F)CC3)c3ccccc23)c(=O)[nH]1 Homo sapiens CHEMBL4618933 cell-based format
CHEMBL4638163 OBDepict O N H CH 3 N H 3 C H S O N H H 3 C N F F F IC50 = 0.62 nM 596.72 Cc1cc(Sc2ccccc2)c(CNC(=O)c2c(C)n([C@H](C)C3CCN(CC(F)(F)F)CC3)c3ccccc23)c(=O)[nH]1 Homo sapiens CHEMBL4618933 cell-based format
CHEMBL3911017 OBDepict O N Cl Cl CH 3 O N H CH 3 N H 3 C O H 3 C Ki = 0.7 nM 446.33 Cc1cc(C)c(CN2CCc3c(Cl)cc(-c4c(C)noc4C)c(Cl)c3C2=O)c(=O)[nH]1 Homo sapiens CHEMBL3858046 cell-based format
CHEMBL4639975 OBDepict H 3 C S H 3 C N HN O H O H 3 C N H 3 C H N F F F IC50 = 0.73 nM 548.68 CCSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)F)CC2)c2ccccc12 Homo sapiens CHEMBL4618933 cell-based format
CHEMBL3701043 OBDepict H 3 C CH 3 N N H O H O CH 3 N N CH 3 N O HN IC50 = 0.92 nM 586.78 CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCNCC3)nc2)cc(N(CC)C2CCOCC2)c1C Homo sapiens CHEMBL3706321 single protein format
CHEMBL4794859 OBDepict H 3 C O H 3 C N HN O H O H 3 C N H 3 C H N F F CH 3 IC50 < 1.0 nM 514.62 COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(C)(F)F)CC2)c2ccccc12 Homo sapiens CHEMBL4766048 single protein format
CHEMBL3414621 OBDepict CH 3 N H 3 C O N H O N CH 3 O N H H 3 C O IC50 = 1.0 nM 572.75 CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3607426 single protein format
CHEMBL3701005 OBDepict H 3 C N H CH 3 H N N H O H 3 C CH 3 N N H 3 C CH 3 O N H CH 3 IC50 = 1.39 nM 518.71 CCN(c1cc(-c2cnn(C)c2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](N(C)C)CC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL4060378 OBDepict H 3 C O H 3 C N N O H O Cl Cl OH H O Ki = 1.5 nM 453.32 COc1cc(C)[nH]c(=O)c1CN1CCc2c(Cl)cc([C@H](O)C3COC3)c(Cl)c2C1=O Homo sapiens CHEMBL4027398 assay format
CHEMBL4782143 OBDepict CH 3 O CH 3 N NH O H O CH 3 N CH 3 H N F F F F IC50 = 1.6 nM 550.6 COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)C(F)F)CC2)c2ccccc12 Homo sapiens CHEMBL4766048 single protein format
CHEMBL4779426 OBDepict H 3 C O H 3 C N N H O H O H 3 C N CH 3 H N O IC50 = 1.7 nM 492.62 COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(C3COC3)CC2)c2ccccc12 Homo sapiens CHEMBL4766049 single protein format
CHEMBL4781657 OBDepict CH 3 O CH 3 N N H O H O CH 3 N CH 3 H N H 3 C IC50 = 1.7 nM 450.58 COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(C)CC2)c2ccccc12 Homo sapiens CHEMBL4766049 single protein format
CHEMBL4797333 OBDepict H 3 C O H 3 C N HN O H O H 3 C N H 3 C H N F F IC50 = 1.8 nM 500.59 COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)F)CC2)c2ccccc12 Homo sapiens CHEMBL4766048 single protein format
CHEMBL3697479 OBDepict CH 3 N H N CH 3 N H O CH 3 O CH 3 O N H H 3 C IC50 = 1.99 nM 516.69 CCN(c1cc(-c2ccc(CNC)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL4787149 OBDepict CH 3 O CH 3 N N H O H O CH 3 N CH 3 H HN IC50 = 2.0 nM 436.56 COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCNCC2)c2ccccc12 Homo sapiens CHEMBL4766048 single protein format
CHEMBL3287735 OBDepict CH 3 N CH 3 H CH 3 N H O N N CH 3 O N H HN H 3 C IC50 = 2.0 nM 526.69 CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCNCC4)nc3)cc21 Homo sapiens CHEMBL3607426 single protein format
CHEMBL4740532 OBDepict O N Cl Br CH 3 O N N H CH 3 N H 3 C N H 3 C Ki = 2.0 nM 490.79 Cc1cc(C)c(CN2CCc3c(Br)cc(-c4c(C)nnn4C)c(Cl)c3C2=O)c(=O)[nH]1 Homo sapiens CHEMBL4737067 single protein format
CHEMBL3929944 OBDepict O N Cl CH 3 O N H CH 3 N H 3 C O H 3 C Ki = 2.0 nM 411.89 Cc1cc(C)c(CN2CCc3ccc(-c4c(C)noc4C)c(Cl)c3C2=O)c(=O)[nH]1 Homo sapiens CHEMBL3858046 cell-based format
CHEMBL3916617 OBDepict OH N CH 3 CH 3 Cl N H O CH 3 O N H H 3 C IC50 = 2.1 nM 460.02 CCN(c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCC(CO)CC1 Homo sapiens CHEMBL3887468 single protein format
CHEMBL4297463 OBDepict CH 3 O CH 3 N NH O H O CH 3 N CH 3 H N F F F IC50 = 2.2 nM 518.58 COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)F)CC2)c2ccccc12 Homo sapiens CHEMBL4766048 single protein format
CHEMBL4777385 OBDepict H 3 C O H 3 C N HN O H O H 3 C N H 3 C H N F F F IC50 = 2.3 nM 532.61 COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CCC(F)(F)F)CC2)c2ccccc12 Homo sapiens CHEMBL4766048 single protein format
CHEMBL3697488 OBDepict OH HN N N H O CH 3 CH 3 O CH 3 O N H H 3 C IC50 = 2.37 nM 560.74 CCN(c1cc(-c2ccc(CNCCCO)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3697483 OBDepict CH 3 N H 3 C O N H O N CH 3 O N CH 3 CH 3 H H 3 C IC50 = 2.46 nM 558.77 CCN(CC)Cc1ccc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(N(CC)C3CCOCC3)c2)cc1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL4800227 OBDepict H 3 C O H 3 C N HN O H O H 3 C N H 3 C H N O H 3 C CH 3 IC50 = 2.5 nM 506.65 COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(C(=O)C(C)C)CC2)c2ccccc12 Homo sapiens CHEMBL4766048 single protein format
CHEMBL4799137 OBDepict CH 3 O O N N H 3 C H CH 3 N H O O O N CH 3 H CH 3 IC50 = 2.5 nM 522.65 CCOC(=O)CN1CCC([C@@H](C)n2c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c3ccccc32)CC1 Homo sapiens CHEMBL4766049 single protein format
CHEMBL3963830 OBDepict H 3 C N H CH 3 Cl H N NH O H 3 C O N H CH 3 IC50 = 2.5 nM 485.07 CCN(c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](N2CCC2)CC1 Homo sapiens CHEMBL3887468 single protein format
CHEMBL3414621 OBDepict CH 3 N H 3 C O N H O N CH 3 O N H H 3 C O Ki = 2.5 nM 572.75 CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3418671 single protein format
CHEMBL3697482 OBDepict CH 3 N CH 3 O N H O HN H 3 C O N H CH 3 IC50 = 2.58 nM 556.75 CCN(c1cc(-c2ccc(CNCC3CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3697484 OBDepict CH 3 N CH 3 O N H O N H CH 3 O N H CH 3 OH H HO IC50 = 2.77 nM 576.74 CCN(c1cc(-c2ccc(CNC[C@@H](O)CO)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3605455 OBDepict CH 3 S N O O N H 3 C H CH 3 HN O CH 3 O N H H 3 C IC50 = 3.0 nM 512.68 CCS(=O)(=O)N1CCC([C@@H](C)n2c(C)c(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3ccccc32)CC1 Homo sapiens CHEMBL3607426 single protein format
CHEMBL3605457 OBDepict CH 3 O H 3 C N N H O H O H 3 C N H 3 C H N S O O CH 3 IC50 = 3.0 nM 528.68 CCS(=O)(=O)N1CCC([C@@H](C)n2c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c3ccccc32)CC1 Homo sapiens CHEMBL3607426 single protein format
CHEMBL3961483 OBDepict H 3 C O O H H N CH 3 H 3 C Cl N H O CH 3 O N H H 3 C IC50 = 3.0 nM 502.06 CCOC(=O)[C@H]1CC[C@H](N(CC)c2cc(Cl)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1 Homo sapiens CHEMBL3887468 single protein format
CHEMBL3697470 OBDepict CH 3 N CH 3 O N H O N CH 3 O N H CH 3 F IC50 = 3.11 nM 588.77 CCN(c1cc(-c2ccc(CN3CCC(F)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3697480 OBDepict CH 3 N H N CH 3 N H O CH 3 O CH 3 O N H CH 3 IC50 = 3.15 nM 530.71 CCNCc1ccc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(N(CC)C3CCOCC3)c2)cc1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3929944 OBDepict O N Cl CH 3 O N H CH 3 N H 3 C O H 3 C IC50 = 3.2 nM 411.89 Cc1cc(C)c(CN2CCc3ccc(-c4c(C)noc4C)c(Cl)c3C2=O)c(=O)[nH]1 Homo sapiens CHEMBL3858046 cell-based format
CHEMBL3697468 OBDepict CH 3 N CH 3 O N H O N CH 3 O N H CH 3 HO IC50 = 3.24 nM 586.78 CCN(c1cc(-c2ccc(CN3CCC(O)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL4780697 OBDepict H 3 C O H 3 C N HN O H O H 3 C N H 3 C H N N O H 3 C CH 3 IC50 = 3.3 nM 507.64 COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(C(=O)N(C)C)CC2)c2ccccc12 Homo sapiens CHEMBL4766048 single protein format
CHEMBL3701044 OBDepict CH 3 N CH 3 O N H O N N O N CH 3 H 3 C H HN CH 3 IC50 = 3.38 nM 586.78 CCN(c1cc(-c2ccc(N3CCNCC3)nc2)cc(C(=O)NCc2c(C(C)C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3697486 OBDepict CH 3 N CH 3 O HN O N CH 3 O N CH 3 H H 3 C IC50 = 3.4 nM 570.78 CCN(c1cc(-c2ccc(CN(C)CC3CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3909279 OBDepict H 3 C N H Cl Br H N N H O H 3 C CH 3 H 3 C O N H CH 3 IC50 = 3.4 nM 537.93 CCN(c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1Cl)[C@H]1CC[C@H](N(C)C)CC1 Homo sapiens CHEMBL3887468 single protein format
CHEMBL3932210 OBDepict CH 3 N H CH 3 Cl H NH O N O H 3 C O N H CH 3 IC50 = 3.4 nM 527.11 CCN(c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](C(=O)N2CCCC2)CC1 Homo sapiens CHEMBL3887468 single protein format
CHEMBL3701007 OBDepict H 3 C N H CH 3 H N N H O H 3 C CH 3 H 3 C O N H CH 3 IC50 = 3.44 nM 514.71 CCN(c1cc(-c2ccccc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](N(C)C)CC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3697459 OBDepict CH 3 N CH 3 O N H O N CH 3 O N H H 3 C IC50 = 3.49 nM 556.75 CCN(c1cc(-c2ccc(CN3CCCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3697472 OBDepict H 3 C N H 3 C O N H O N H 3 C O N H CH 3 IC50 = 3.52 nM 542.72 CCN(c1cc(-c2ccc(CN3CCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3701016 OBDepict CH 3 N H H 3 C H N N H O CH 3 H 3 C S CH 3 O N H H 3 C IC50 = 3.57 nM 520.74 CCN(c1cc(-c2ccsc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](N(C)C)CC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3697466 OBDepict CH 3 N CH 3 O N H O N CH 3 O N H CH 3 H HO IC50 = 3.74 nM 586.78 CCN(c1cc(-c2ccc(CN3CCC[C@H](O)C3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3701030 OBDepict CH 3 N CH 3 O N H O N N CH 3 O N H N CH 3 H 3 C IC50 = 3.97 nM 572.75 CCN(c1cc(-c2ccc(N3CCN(C)CC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3605456 OBDepict CH 3 O CH 3 N N H O H O CH 3 N CH 3 H O IC50 = 4.0 nM 437.54 COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCOCC2)c2ccccc12 Homo sapiens CHEMBL3607426 single protein format
CHEMBL3605453 OBDepict O N H H 3 C N CH 3 H CH 3 O N H CH 3 O IC50 = 4.0 nM 421.54 Cc1cc(C)c(CNC(=O)c2c(C)n([C@H](C)C3CCOCC3)c3ccccc23)c(=O)[nH]1 Homo sapiens CHEMBL3607426 single protein format
CHEMBL4080228 OBDepict CH 3 O H 3 C N N O H O Cl Cl O H CH 3 O IC50 = 4.0 nM 467.35 COc1cc(C)[nH]c(=O)c1CN1CCc2c(Cl)cc([C@H](OC)C3COC3)c(Cl)c2C1=O Homo sapiens CHEMBL4027397 cell-based format
CHEMBL4779123 OBDepict CH 3 O CH 3 N NH O H O CH 3 N CH 3 H N O O CH 3 H 3 C IC50 = 4.1 nM 522.65 COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(C(=O)OC(C)C)CC2)c2ccccc12 Homo sapiens CHEMBL4766049 single protein format
CHEMBL4634535 OBDepict CH 3 N H S O O O CH 3 NH O CH 3 N CH 3 H N F F F IC50 = 4.1 nM 566.65 Cc1cc(S(C)(=O)=O)c(CNC(=O)c2c(C)n([C@H](C)C3CCN(CC(F)(F)F)CC3)c3ccccc23)c(=O)[nH]1 Homo sapiens CHEMBL4618933 cell-based format
CHEMBL3697461 OBDepict CH 3 N CH 3 O N H O N H 3 C O N H CH 3 H HO IC50 = 4.15 nM 572.75 CCN(c1cc(-c2ccc(CN3CC[C@@H](O)C3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3908410 OBDepict H 3 C N H CH 3 H N N H O H 3 C CH 3 CH 3 O N H CH 3 IC50 = 4.3 nM 502.7 CCN(c1cc(C#CC2CC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](N(C)C)CC1 Homo sapiens CHEMBL3887468 single protein format
CHEMBL3701017 OBDepict H 3 C N H CH 3 H N N H O H 3 C CH 3 N H 3 C H 3 C O N H CH 3 IC50 = 4.3 nM 529.73 CCN(c1cc(-c2ccc(C)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](N(C)C)CC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3701013 OBDepict H 3 C N H CH 3 H N N H O H 3 C CH 3 N H 3 C O N H CH 3 IC50 = 4.37 nM 565.76 CCN(c1cc(-c2cccc3cccnc23)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](N(C)C)CC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3701020 OBDepict H 3 C N H CH 3 H N N N H O H 3 C CH 3 N H 3 C CH 3 O N H CH 3 IC50 = 4.38 nM 518.71 CCN(c1cc(-c2ccn(C)n2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](N(C)C)CC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3697490 OBDepict NH 2 NH N CH 3 N H O CH 3 O CH 3 O N H H 3 C IC50 = 4.46 nM 545.73 CCN(c1cc(-c2ccc(CNCCN)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3697494 OBDepict H 3 C N H 3 C O N H O N H 3 C O N H CH 3 O IC50 = 4.51 nM 584.76 CCN(c1cc(-c2ccc(CN3CC4(COC4)C3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3414619 OBDepict CH 3 CH 3 N HN O H O N N N CH 3 H 3 C N N H 3 C CH 3 Ki = 4.6 nM 569.75 CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C Homo sapiens CHEMBL3418471 single protein format
CHEMBL3697475 OBDepict CH 3 N H 3 C O N H O N CH 3 O N H H 3 C NH IC50 = 4.99 nM 585.79 CCN(c1cc(-c2ccc(CN3CCCNCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3697492 OBDepict CH 3 N H 3 C O N H O N H CH 3 O N H H 3 C F F IC50 = 5.02 nM 566.69 CCN(c1cc(-c2ccc(CNCC(F)F)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3697465 OBDepict CH 3 N H 3 C O N H O N CH 3 O N H H 3 C IC50 = 5.07 nM 570.78 CCN(c1cc(-c2ccc(CN3CCCCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3701040 OBDepict H 3 C N H H 3 C H N N H O CH 3 H 3 C N O CH 3 O N H H 3 C IC50 = 5.12 nM 597.8 CCN(c1cc(-c2ccc(C(=O)N3CCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](N(C)C)CC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3902888 OBDepict H 3 C O O H H N CH 3 H 3 C Cl N H O CH 3 O N H H 3 C IC50 = 5.2 nM 502.06 CCOC(=O)[C@H]1CC[C@@H](N(CC)c2cc(Cl)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1 Homo sapiens CHEMBL3887468 single protein format
CHEMBL3697473 OBDepict H 3 C N H 3 C O N H O N CH 3 O N H H 3 C OH IC50 = 5.44 nM 558.72 CCN(c1cc(-c2ccc(CN3CC(O)C3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3697478 OBDepict CH 3 N CH 3 O N H O H 2 N CH 3 O N H CH 3 IC50 = 5.46 nM 502.66 CCN(c1cc(-c2ccc(CN)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3981606 OBDepict O N Cl Cl O CH 3 O N H H CH 3 O IC50 = 5.6 nM 437.32 Cc1cc(C)c(CN2CCc3c(Cl)cc(O[C@@H]4CCOC4)c(Cl)c3C2=O)c(=O)[nH]1 Homo sapiens CHEMBL3858046 cell-based format
CHEMBL3697476 OBDepict CH 3 N CH 3 O N H O N CH 3 O N H CH 3 N H 3 C IC50 = 5.68 nM 599.82 CCN(c1cc(-c2ccc(CN3CCCN(C)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3957571 OBDepict H 3 C N H Cl H 3 C H N HN O CH 3 CH 3 CH 3 O N H H 3 C IC50 = 5.7 nM 487.09 CCc1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc(Cl)cc1N(CC)[C@H]1CC[C@@H](N(C)C)CC1 Homo sapiens CHEMBL3887468 single protein format
CHEMBL3701021 OBDepict H 3 C N H CH 3 H N N H O H 3 C CH 3 N H 3 C O N H CH 3 IC50 = 5.74 nM 515.7 CCN(c1cc(-c2cccnc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](N(C)C)CC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3697487 OBDepict OH NH N CH 3 N H O CH 3 O CH 3 O N H H 3 C IC50 = 5.82 nM 546.71 CCN(c1cc(-c2ccc(CNCCO)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3697469 OBDepict CH 3 N CH 3 O N H O N CH 3 O N H CH 3 F IC50 = 6.08 nM 588.77 CCN(c1cc(-c2ccc(CN3CCCC(F)C3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3706321 single protein format
CHEMBL3938638 OBDepict CH 3 N H H 3 C Cl H N N H O CH 3 O H 3 C O N H H 3 C IC50 = 6.1 nM 515.1 CCN(c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](N(C)C2COC2)CC1 Homo sapiens CHEMBL3887468 single protein format
CHEMBL3909934 OBDepict H 3 C N H CH 3 Cl H N N H O H 3 C CH 3 H 3 C O N CH 3 CH 3 IC50 = 6.5 nM 487.09 CCN(c1cc(Cl)cc(C(=O)NCc2c(C)cc(C)n(C)c2=O)c1C)[C@H]1CC[C@H](N(C)C)CC1 Homo sapiens CHEMBL3887468 single protein format
CHEMBL3896120 OBDepict H 3 C N H Cl H 3 C H N HN O CH 3 CH 3 CH 3 O N H H 3 C IC50 = 6.5 nM 487.09 CCc1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc(Cl)cc1N(CC)[C@H]1CC[C@H](N(C)C)CC1 Homo sapiens CHEMBL3887468 single protein format
CHEMBL3697457 OBDepict H 3 C N H 3 C O N H O N H 3 C O N H H CH 3 H O IC50 = 6.53 nM 584.76 CCN(c1cc(-c2ccc(CN3C[C@H]4C[C@@H]3CO4)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 Homo sapiens CHEMBL3706321 single protein format