Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 1' and Ligand = 'BDBM50148482'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bromodomain-containing protein 1 (Homo sapiens (Human))	BDBM50148482 (CHEMBL3769732) Show SMILES CCCOc1ccc(cc1)S(=O)(=O)Nc1cc2n(C)c(=O)n(C)c2cc1Oc1ccc(OC)cc1 Show InChI InChI=1S/C25H27N3O6S/c1-5-14-33-18-10-12-20(13-11-18)35(30,31)26-21-15-22-23(28(3)25(29)27(22)2)16-24(21)34-19-8-6-17(32-4)7-9-19/h6-13,15-16,26H,5,14H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay				J Med Chem 59: 1642-7 (2016) Article DOI: 10.1021/acs.jmedchem.5b00458 BindingDB Entry DOI: 10.7270/Q2JS9S9G
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