Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50312629'   

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 3 (Homo sapiens (Human))	BDBM50312629 (CHEMBL1088736 | Octanedioic Acid-{3-[1-(3,5-Bis(hy...) Show SMILES OCc1cc(CO)cc(c1)-n1cc(nn1)-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C24H29N5O5/c30-15-17-10-18(16-31)12-21(11-17)29-14-22(26-28-29)19-6-5-7-20(13-19)25-23(32)8-3-1-2-4-9-24(33)27-34/h5-7,10-14,30-31,34H,1-4,8-9,15-16H2,(H,25,32)(H,27,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of HDAC3 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs				J Med Chem 53: 1347-56 (2010) Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52
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