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Q6B0I6 | KDM4D_HUMAN | Lysine-specific demethylase 4D (KDM4D)

3D structures mapped by conservation among orthologs

[ Domain: "Double-stranded beta-helix" // JmjC ]

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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
CHEMBL4850758 OBDepict O O N H H 3 C CH 3 H 3 C H N OH O O N IC50 = 23.0 nM 489.57 CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccc(-c3ccncc3)cc2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4875100 OBDepict N N N HO O H NH O O O H 3 C H 3 C CH 3 IC50 = 45.0 nM 438.48 CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccc(C#N)cn2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4866032 OBDepict O O N H CH 3 H 3 C CH 3 H N OH O O N N N IC50 = 56.0 nM 479.54 CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccc(-n3cncn3)cc2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4852549 OBDepict O O N H CH 3 H 3 C CH 3 H N OH O O N H 3 C N IC50 = 87.0 nM 492.58 Cc1nccn1-c1ccc(C(c2cc3c(cc2O)OCO3)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4865890 OBDepict O O N H CH 3 H 3 C CH 3 H N OH N O O IC50 = 100.0 nM 463.53 CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2cc3c(cc2O)OCO3)c2ccnc3ccccc23)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4216044 OBDepict CH 3 N H N H N O OH IC50 = 104.0 nM 387.48 CN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CNc1cnccc1C(=O)O Homo sapiens CHEMBL4193855 single protein format
CHEMBL4849386 OBDepict O O N H H 3 C H 3 C CH 3 H N OH O N O N IC50 = 109.0 nM 478.55 CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2cccc(-n3ccnc3)c2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL3786952 OBDepict Cl CH 3 O N N N O OH IC50 = 110.0 nM 343.77 Cc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 Homo sapiens CHEMBL4223301 single protein format
CHEMBL4863496 OBDepict O O N H CH 3 H 3 C CH 3 H N F OH O Cl O IC50 = 111.0 nM 464.92 CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2cc3c(cc2O)OCO3)c2ccc(Cl)cc2F)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4853213 OBDepict O O N H CH 3 H 3 C CH 3 H N Cl OH O F O IC50 = 117.0 nM 464.92 CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2cc3c(cc2O)OCO3)c2ccc(F)cc2Cl)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4870370 OBDepict O O N H H 3 C CH 3 H 3 C H N N OH O O N IC50 = 126.0 nM 490.56 CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccc(-c3ccncc3)cn2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4851604 OBDepict O O NH CH 3 CH 3 CH 3 H N HO O N O IC50 = 135.0 nM 413.47 CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4848874 OBDepict N N HO O H NH O O O H 3 C H 3 C CH 3 IC50 = 141.0 nM 437.5 CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccc(C#N)cc2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4870256 OBDepict O O N H H 3 C CH 3 H 3 C H N OH O O N IC50 = 145.0 nM 489.57 CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccc(-c3ccccn3)cc2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4865527 OBDepict O NH H N HO O N O IC50 = 155.0 nM 381.43 O=C(N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1)C1CC1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4867448 OBDepict O O N H H 3 C CH 3 H 3 C H N OH N O O N IC50 = 165.0 nM 490.56 CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccc(-c3ccncc3)nc2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4852779 OBDepict CH 3 O N H O H N OH O N O IC50 = 170.0 nM 461.52 CCOc1ccc(C(=O)N[C@@H]2CCN(C(c3ccncc3)c3cc4c(cc3O)OCO4)C2)cc1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4853385 OBDepict S N H NH CH 3 CH 3 CH 3 H N HO O N O IC50 = 171.0 nM 428.56 CC(C)(C)NC(=S)N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4867797 OBDepict O O N H CH 3 H 3 C CH 3 H N F OH O F O IC50 = 173.0 nM 448.47 CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2cc3c(cc2O)OCO3)c2ccc(F)cc2F)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4864457 OBDepict O O N H H 3 C H 3 C CH 3 H N OH O O N IC50 = 184.0 nM 489.57 CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2cccc(-c3cccnc3)c2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4869955 OBDepict HO O N O N H N H O Cl IC50 = 187.0 nM 451.91 O=C(N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1)c1ccccc1Cl Homo sapiens CHEMBL4832320 assay format
CHEMBL4879231 OBDepict O N H NH CH 3 CH 3 CH 3 H N HO O N O IC50 = 188.0 nM 412.49 CC(C)(C)NC(=O)N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4847665 OBDepict O O NH CH 3 CH 3 CH 3 H N HO O O F IC50 = 192.0 nM 430.48 CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccc(F)cc2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4857387 OBDepict O N H H N OH O N O IC50 = 193.0 nM 395.46 O=C(NC[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1)C1CC1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4866118 OBDepict CH 3 N H 3 C H N HO O N O IC50 = 200.0 nM 341.41 CN(C)[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4865163 OBDepict CH 3 O N OH O CH 3 N H HN O O CH 3 CH 3 H 3 C IC50 = 212.0 nM 429.52 COc1ccc(OC)c(C(c2ccncc2)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1O Homo sapiens CHEMBL4832320 assay format
CHEMBL4853701 OBDepict O O N H H 3 C CH 3 H 3 C H N OH O O N IC50 = 220.0 nM 489.57 CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccc(-c3cccnc3)cc2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4866179 OBDepict O NH H 3 C CH 3 H N HO O N O IC50 = 220.0 nM 383.45 CC(C)C(=O)N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4850795 OBDepict O O N H H 3 C H 3 C CH 3 H N OH O O N IC50 = 223.0 nM 489.57 CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2cccc(-c3ccncc3)c2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4871665 OBDepict O O N H H 3 C H 3 C CH 3 H N OH O O N IC50 = 285.0 nM 489.57 CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2cccc(-c3ccccn3)c2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL1982368 OBDepict Cl N N H N N IC50 = 290.0 nM 308.77 Clc1ccc(N/N=C(c2ccccc2)c2ccccn2)nc1 Homo sapiens CHEMBL4832359 single protein format
CHEMBL4851379 OBDepict N F N HO O H N H O O O H 3 C CH 3 H 3 C IC50 = 330.0 nM 455.49 CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2cc3c(cc2O)OCO3)c2ccc(C#N)cc2F)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4876010 OBDepict H 3 C O N H O H N HO O N O IC50 = 342.0 nM 461.52 CCOc1ccccc1C(=O)N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4857330 OBDepict F N H O H N OH O N O IC50 = 351.0 nM 435.46 O=C(N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1)c1cccc(F)c1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4878349 OBDepict N O CH 3 N OH O H NH O O O H 3 C H 3 C CH 3 IC50 = 368.0 nM 467.52 COc1cc(C#N)ccc1C(c1cc2c(cc1O)OCO2)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4870942 OBDepict N F N HO O H NH O O O H 3 C H 3 C CH 3 IC50 = 382.0 nM 455.49 CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccc(C#N)c(F)c2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4850241 OBDepict H 3 C O N H O H N HO O N O IC50 = 399.0 nM 447.49 COc1ccccc1C(=O)N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4090908 OBDepict N CH 3 N N N HO N IC50 = 410.0 nM 225.21 Cc1nn2c(nc(O)c3cccnc32)c1C#N Homo sapiens CHEMBL4022354 single protein format
CHEMBL4846901 OBDepict HO O N O N H N H O F IC50 = 437.0 nM 435.46 O=C(N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1)c1ccccc1F Homo sapiens CHEMBL4832320 assay format
CHEMBL4852615 OBDepict O O N H CH 3 H 3 C CH 3 H N OH O O N IC50 = 444.0 nM 477.56 CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccc(-n3cccc3)cc2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4878136 OBDepict CH 3 O O N OH O H NH O O O H 3 C H 3 C CH 3 IC50 = 445.0 nM 470.52 COC(=O)c1ccc(C(c2cc3c(cc2O)OCO3)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4865332 OBDepict N N HO O H HN O O O CH 3 H 3 C CH 3 IC50 = 482.0 nM 437.5 CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2cccc(C#N)c2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4855136 OBDepict CH 3 O O N OH O H NH O O O H 3 C H 3 C CH 3 IC50 = 499.0 nM 470.52 COC(=O)c1cccc(C(c2cc3c(cc2O)OCO3)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4850962 OBDepict O O N H H 3 C CH 3 H 3 C H N N H 3 C N HO O O IC50 = 509.0 nM 416.48 Cn1nccc1C(c1cc2c(cc1O)OCO2)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4878213 OBDepict CH 3 HN O H N OH O N O IC50 = 519.0 nM 355.39 CC(=O)N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4869367 OBDepict O N H H N OH O N O IC50 = 528.0 nM 423.51 O=C(N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1)C1CCCCC1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4845871 OBDepict HO O N O N H N H O IC50 = 536.0 nM 417.47 O=C(N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1)c1ccccc1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4848068 OBDepict O N H H N OH O N O IC50 = 546.0 nM 381.43 O=C(NC1CC1)[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4878151 OBDepict CH 3 O N H O H N OH O N O IC50 = 546.0 nM 447.49 COc1cccc(C(=O)N[C@@H]2CCN(C(c3ccncc3)c3cc4c(cc3O)OCO4)C2)c1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4853657 OBDepict O O NH CH 3 CH 3 CH 3 H N N HO N O O IC50 = 552.0 nM 414.46 CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2cnccn2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4875126 OBDepict HO O N O N H HN S O O IC50 = 577.0 nM 417.49 O=S(=O)(N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1)C1CC1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4877018 OBDepict O O H N HO O N O IC50 = 586.0 nM 382.42 O=C(O[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1)C1CC1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4855287 OBDepict O O NH CH 3 CH 3 CH 3 H N HO O N O CH 3 CH 3 IC50 = 609.0 nM 441.53 CC(C)(C)OC(=O)N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OC(C)(C)O3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4858321 OBDepict H 3 C O O CH 3 OH N N H NH O O H 3 C H 3 C CH 3 IC50 = 632.0 nM 429.52 COc1cc(O)c(C(c2ccncc2)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC Homo sapiens CHEMBL4832320 assay format
CHEMBL4851246 OBDepict O N O H 3 C H H 3 C CH 3 H 3 C N OH O N O IC50 = 642.0 nM 427.5 CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4866581 OBDepict O NH CH 3 CH 3 H 3 C H N HO O N O IC50 = 664.0 nM 397.48 CC(C)(C)C(=O)N[C@@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1 Homo sapiens CHEMBL4832320 assay format
CHEMBL4875975 OBDepict O NH H N HO O N O IC50 = 892.0 nM 381.43 O=C(N[C@H]1CCN(C(c2ccncc2)c2cc3c(cc2O)OCO3)C1)C1CC1 Homo sapiens CHEMBL4832320 assay format