Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50500247'   

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))	BDBM50500247 (CHEMBL3747327) Show SMILES COc1ccc(cc1)-c1nc(NC(=O)NCC(=O)NO)cc2c3ccccc3n(C)c12 Show InChI InChI=1S/C22H21N5O4/c1-27-17-6-4-3-5-15(17)16-11-18(25-22(29)23-12-19(28)26-30)24-20(21(16)27)13-7-9-14(31-2)10-8-13/h3-11,30H,12H2,1-2H3,(H,26,28)(H2,23,24,25,29)	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	3.16E+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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