Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50500239'   

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))	BDBM50500239 (CHEMBL3747397) Show SMILES ONC(=O)CCCNC(=O)c1cc2c(cn1)[nH]c1ccccc21 Show InChI InChI=1S/C16H16N4O3/c21-15(20-23)6-3-7-17-16(22)13-8-11-10-4-1-2-5-12(10)19-14(11)9-18-13/h1-2,4-5,8-9,19,23H,3,6-7H2,(H,17,22)(H,20,21)	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	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys (Ac)-AMC as substrate after 60 mins by fluorometric analysis				J Med Chem 39: 817-25 (1996) Article DOI: 10.1021/acs.jmedchem.5b01052 BindingDB Entry DOI: 10.7270/Q2028VK9
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