Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50472341'   

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))	BDBM50472341 (CHEMBL100282) Show SMILES COc1ccc(N)c(NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2)c1 Show InChI InChI=1S/C22H22N4O4/c1-29-18-8-9-19(23)20(11-18)26-21(27)17-6-4-15(5-7-17)13-25-22(28)30-14-16-3-2-10-24-12-16/h2-12H,13-14,23H2,1H3,(H,25,28)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsui Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against partially purified histone deacetylase of human leukemia K562 cells.				J Med Chem 42: 3001-3 (1999) Article DOI: 10.1021/jm980565u BindingDB Entry DOI: 10.7270/Q22Z1885
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