Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50132403'   

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
Histone deacetylase (Homo sapiens (Human))	BDBM50132403 (CHEMBL3633765) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCCCC(=O)NO Show InChI InChI=1S/C21H23BrN4O4/c1-29-18-12-17-16(11-19(18)30-9-4-2-3-8-20(27)26-28)21(24-13-23-17)25-15-7-5-6-14(22)10-15/h5-7,10-13,28H,2-4,8-9H2,1H3,(H,26,27)(H,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory concentration against Beta Glucosidase from Almonds				Bioorg Med Chem Lett 25: 5137-41 (2015) Article DOI: 10.1016/j.bmcl.2015.10.006 BindingDB Entry DOI: 10.7270/Q2CN75QQ
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