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O95696 | BRD1_HUMAN | Bromodomain-containing protein 1 (BRD1)

3D structures mapped by conservation among orthologs

[ Domain: "FYVE/PHD zinc finger" // PHD_2 ]

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[ Domain: "FYVE/PHD zinc finger" // zf-HC5HC2H ]

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[ Domain: "SH3" // PWWP ]

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[ Domain: "Bromodomain" // Bromodomain ]

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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
CHEMBL4075478 OBDepict H 3 C N N N CH 3 O O CH 3 O Cl IC50 = 37.0 nM 405.84 Cc1cc2c(cc1N1C(=O)c3cccc4c(Cl)ccc(c34)C1=O)n(C)c(=O)n2C Homo sapiens CHEMBL4051532 assay format
CHEMBL4102050 OBDepict N S HN O O N CH 3 CH 3 O IC50 = 48.0 nM 353.4 Cc1cc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc2n(C)c1=O Homo sapiens CHEMBL4030908 assay format
CHEMBL4086958 OBDepict H 3 C N N N CH 3 O O CH 3 O Br IC50 = 51.0 nM 450.29 Cc1cc2c(cc1N1C(=O)c3cccc4c(Br)ccc(c34)C1=O)n(C)c(=O)n2C Homo sapiens CHEMBL4051532 assay format
CHEMBL4104538 OBDepict H 3 C O N O N O H 3 C N N H 3 C CH 3 O IC50 = 53.0 nM 484.56 COC1CCN(c2ccc3c4c(cccc24)C(=O)N(c2cc4c(cc2C)n(C)c(=O)n4C)C3=O)CC1 Homo sapiens CHEMBL4051532 assay format
CHEMBL4067968 OBDepict H 3 C N N N CH 3 O O CH 3 O N O IC50 = 61.0 nM 456.5 Cc1cc2c(cc1N1C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C1=O)n(C)c(=O)n2C Homo sapiens CHEMBL4051532 assay format
CHEMBL4076603 OBDepict H 2 N O N O H 3 C N H 3 C N O CH 3 IC50 = 63.0 nM 386.41 Cc1cc2c(cc1N1C(=O)c3cccc4cc(N)cc(c34)C1=O)n(C)c(=O)n2C Homo sapiens CHEMBL4051532 assay format
CHEMBL4065133 OBDepict HO N O N O H 3 C N N H 3 C CH 3 O IC50 = 66.0 nM 470.53 Cc1cc2c(cc1N1C(=O)c3cccc4c(N5CCC(O)CC5)ccc(c34)C1=O)n(C)c(=O)n2C Homo sapiens CHEMBL4051532 assay format
CHEMBL4059651 OBDepict HO O N O H 3 C N N H 3 C CH 3 O IC50 = 70.0 nM 443.5 Cc1cc2c(cc1N1C(=O)c3cccc4c(CCCCO)ccc(c34)C1=O)n(C)c(=O)n2C Homo sapiens CHEMBL4051532 assay format
CHEMBL4086276 OBDepict HO O N O H 3 C N N H 3 C CH 3 O IC50 = 74.0 nM 429.48 Cc1cc2c(cc1N1C(=O)c3cccc4c(CCCO)ccc(c34)C1=O)n(C)c(=O)n2C Homo sapiens CHEMBL4051532 assay format
CHEMBL4064164 OBDepict CH 3 N H 3 C N N O N O H 3 C N N H 3 C CH 3 O IC50 = 74.0 nM 526.64 Cc1cc2c(cc1N1C(=O)c3cccc4c(N5CCN(CCN(C)C)CC5)ccc(c34)C1=O)n(C)c(=O)n2C Homo sapiens CHEMBL4051532 assay format
CHEMBL4103077 OBDepict CH 3 O HN N S CH 3 O O O H 3 C N O CH 3 IC50 = 80.0 nM 413.46 COc1cc2c(cc1NS(=O)(=O)c1ccc(C#N)cc1OC)cc(C)c(=O)n2C Homo sapiens CHEMBL4030908 assay format
CHEMBL4076067 OBDepict H 3 C N N N CH 3 O O CH 3 O N N IC50 = 80.0 nM 509.61 Cc1cc2c(cc1N1C(=O)c3cccc4c(N5CCN(CC6CC6)CC5)ccc(c34)C1=O)n(C)c(=O)n2C Homo sapiens CHEMBL4051532 assay format
CHEMBL4068180 OBDepict O N O CH 3 N CH 3 N + N O H 3 C O _ O IC50 = 82.0 nM 416.39 Cc1cc2c(cc1N1C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C1=O)n(C)c(=O)n2C Homo sapiens CHEMBL4051532 assay format
CHEMBL4091912 OBDepict H 3 C N N O N O H 3 C N N H 3 C CH 3 O IC50 = 84.0 nM 497.6 Cc1cc2c(cc1N1C(=O)c3cccc4c(N(C)CCN5CCCC5)ccc(c34)C1=O)n(C)c(=O)n2C Homo sapiens CHEMBL4051532 assay format
CHEMBL4072812 OBDepict H 3 C N N O N O H 3 C N N H 3 C CH 3 O IC50 = 93.0 nM 469.55 Cc1cc2c(cc1N1C(=O)c3cccc4c(N5CCN(C)CC5)ccc(c34)C1=O)n(C)c(=O)n2C Homo sapiens CHEMBL4051532 assay format
CHEMBL4098824 OBDepict H 3 C N N N CH 3 O O CH 3 O IC50 = 94.0 nM 371.4 Cc1cc2c(cc1N1C(=O)c3cccc4cccc(c34)C1=O)n(C)c(=O)n2C Homo sapiens CHEMBL4051532 assay format
CHEMBL4092917 OBDepict H 3 C N N N CH 3 O O CH 3 O N IC50 = 95.0 nM 454.53 Cc1cc2c(cc1N1C(=O)c3cccc4c(N5CCCCC5)ccc(c34)C1=O)n(C)c(=O)n2C Homo sapiens CHEMBL4051532 assay format
CHEMBL4059962 OBDepict CH 3 O HN N S CH 3 O O N O CH 3 IC50 = 100.0 nM 383.43 COc1cc2c(cc1NS(=O)(=O)c1ccc(C#N)cc1)cc(C)c(=O)n2C Homo sapiens CHEMBL4030908 assay format
CHEMBL4064292 OBDepict H 3 C N H 3 C N N N H 3 C O O CH 3 O IC50 = 100.0 nM 400.44 CN(C)c1cc2c(cc1N1C(=O)c3cccc4cccc(c34)C1=O)n(C)c(=O)n2C Homo sapiens CHEMBL4051532 assay format
CHEMBL4077317 OBDepict HO O N O H 3 C N H 3 C N O CH 3 IC50 = 102.0 nM 387.4 Cc1cc2c(cc1N1C(=O)c3cccc4cc(O)cc(c34)C1=O)n(C)c(=O)n2C Homo sapiens CHEMBL4051532 assay format
CHEMBL4080780 OBDepict H 3 C O N N N H 3 C O O CH 3 O IC50 = 115.0 nM 387.4 COc1cc2c(cc1N1C(=O)c3cccc4cccc(c34)C1=O)n(C)c(=O)n2C Homo sapiens CHEMBL4051532 assay format
CHEMBL4062266 OBDepict H 3 C HN O N O H 3 C N N H 3 C CH 3 O IC50 = 121.0 nM 428.49 CCCNc1ccc2c3c(cccc13)C(=O)N(c1cc3c(cc1C)n(C)c(=O)n3C)C2=O Homo sapiens CHEMBL4051532 assay format
CHEMBL4081145 OBDepict Br O N O H 3 C N H 3 C N O CH 3 IC50 = 124.0 nM 450.29 Cc1cc2c(cc1N1C(=O)c3cccc4cc(Br)cc(c34)C1=O)n(C)c(=O)n2C Homo sapiens CHEMBL4051532 assay format
CHEMBL4063112 OBDepict H 3 C N N N CH 3 O O CH 3 O N IC50 = 126.0 nM 440.5 Cc1cc2c(cc1N1C(=O)c3cccc4c(N5CCCC5)ccc(c34)C1=O)n(C)c(=O)n2C Homo sapiens CHEMBL4051532 assay format
CHEMBL3770173 OBDepict H 3 C O HN N S N CH 3 O O CH 3 Br CH 3 O IC50 = 127.6 nM 440.32 COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C Homo sapiens CHEMBL4650003 single protein format
CHEMBL4069814 OBDepict H 3 C O S NH O O N H 3 C CH 3 O IC50 = 130.0 nM 358.42 COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C Homo sapiens CHEMBL4030908 assay format
CHEMBL4064071 OBDepict N HN S O O N H 3 C O IC50 = 150.0 nM 339.38 Cn1c(=O)ccc2cc(S(=O)(=O)Nc3ccc(C#N)cc3)ccc21 Homo sapiens CHEMBL4030908 assay format
CHEMBL4061727 OBDepict N S HN O O N H 3 C CH 3 O IC50 = 150.0 nM 353.4 Cc1cc(=O)n(C)c2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc12 Homo sapiens CHEMBL4030908 assay format
CHEMBL4075962 OBDepict Br N N N CH 3 O O CH 3 O IC50 = 153.0 nM 436.27 Cn1c(=O)n(C)c2cc(N3C(=O)c4cccc5cccc(c45)C3=O)c(Br)cc21 Homo sapiens CHEMBL4051532 assay format
CHEMBL4087315 OBDepict CH 3 O HN N S CH 3 O O O CH 3 IC50 = 190.0 nM 358.42 COc1cc2c(cc1NS(=O)(=O)c1ccccc1)cc(C)c(=O)n2C Homo sapiens CHEMBL4030908 assay format
CHEMBL4076056 OBDepict N S HN O O N CH 3 O IC50 = 200.0 nM 339.38 Cn1c(=O)ccc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc21 Homo sapiens CHEMBL4030908 assay format
CHEMBL4099455 OBDepict Cl Cl S HN O O N CH 3 O IC50 = 230.0 nM 383.26 Cn1c(=O)ccc2cc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc21 Homo sapiens CHEMBL4053008 assay format
CHEMBL4099171 OBDepict N O N O H 3 C N H 3 C N O CH 3 IC50 = 248.0 nM 396.41 Cc1cc2c(cc1N1C(=O)c3cccc4cc(C#N)cc(c34)C1=O)n(C)c(=O)n2C Homo sapiens CHEMBL4051532 assay format
CHEMBL4103432 OBDepict N S HN O O N CH 3 O IC50 = 270.0 nM 339.38 Cn1c(=O)ccc2cc(NS(=O)(=O)c3cccc(C#N)c3)ccc21 Homo sapiens CHEMBL4030908 assay format
CHEMBL4064184 OBDepict H 3 C N N N N N CH 3 O O CH 3 O IC50 = 366.0 nM 455.52 CN1CCN(c2cc3c(cc2N2C(=O)c4cccc5cccc(c45)C2=O)n(C)c(=O)n3C)CC1 Homo sapiens CHEMBL4051532 assay format
CHEMBL4084805 OBDepict CH 3 O HN N S CH 3 O O O IC50 = 380.0 nM 344.39 COc1cc2c(ccc(=O)n2C)cc1NS(=O)(=O)c1ccccc1 Homo sapiens CHEMBL4030908 assay format
CHEMBL4077619 OBDepict CH 3 N O N CH 3 N O O IC50 = 450.0 nM 357.37 Cn1c(=O)n(C)c2cc(N3C(=O)c4cccc5cccc(c45)C3=O)ccc21 Homo sapiens CHEMBL4051532 assay format
CHEMBL4081438 OBDepict N Cl S HN O O N CH 3 O IC50 = 450.0 nM 373.82 Cn1c(=O)ccc2cc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc21 Homo sapiens CHEMBL4053008 assay format
CHEMBL4105505 OBDepict H 3 C O S NH O O F N H 3 C CH 3 O N IC50 = 510.0 nM 401.42 COc1cc(C#N)ccc1S(=O)(=O)Nc1cc(F)c2c(c1)cc(C)c(=O)n2C Homo sapiens CHEMBL4030908 assay format
CHEMBL4102751 OBDepict CH 3 O HN N S CH 3 O O N O IC50 = 520.0 nM 369.4 COc1cc2c(ccc(=O)n2C)cc1NS(=O)(=O)c1ccc(C#N)cc1 Homo sapiens CHEMBL4030908 assay format
CHEMBL3752151 OBDepict H 3 C O S NH O O N H 3 C CH 3 O N IC50 = 619.0 nM 383.43 COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(C)c(=O)n2C Homo sapiens CHEMBL4030916 single protein format