Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50442737'   

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))	BDBM50442737 (CHEMBL2442691) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccc(OCCCCCCCC(=O)NO)cc2)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C35H40N2O10/c1-42-28-14-20(15-29(43-2)34(28)39)31-23-16-26-27(47-19-46-26)17-24(23)33(25-18-45-35(40)32(25)31)36-21-9-11-22(12-10-21)44-13-7-5-3-4-6-8-30(38)37-41/h9-12,14-17,25,31-33,36,39,41H,3-8,13,18-19H2,1-2H3,(H,37,38)/t25-,31+,32-,33+/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	53	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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