Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50442732'   

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))	BDBM50442732 (CHEMBL2442697) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccc(NC(=O)CCCCCC(=O)NO)cc2)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C34H37N3O10/c1-43-26-12-18(13-27(44-2)33(26)40)30-21-14-24-25(47-17-46-24)15-22(21)32(23-16-45-34(41)31(23)30)36-20-10-8-19(9-11-20)35-28(38)6-4-3-5-7-29(39)37-42/h8-15,23,30-32,36,40,42H,3-7,16-17H2,1-2H3,(H,35,38)(H,37,39)/t23-,30+,31-,32+/m0/s1	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	520	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
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