Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50004761'   

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))	BDBM50004761 (CHEMBL3233705) Show SMILES COc1ccc(cc1)C(=O)N[C@H](COc1ccc(\C=C\C(=O)NO)cc1)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C28H27N3O5/c1-35-23-13-9-20(10-14-23)28(33)30-22(16-21-17-29-26-5-3-2-4-25(21)26)18-36-24-11-6-19(7-12-24)8-15-27(32)31-34/h2-15,17,22,29,34H,16,18H2,1H3,(H,30,33)(H,31,32)/b15-8+/t22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay				J Med Chem 57: 3324-41 (2014) Article DOI: 10.1021/jm401877m BindingDB Entry DOI: 10.7270/Q2D79CZ8
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