Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50442725'   

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))	BDBM50442725 (CHEMBL2442793) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccccc2OCCCC(=O)NO)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C31H32N2O10/c1-38-24-10-16(11-25(39-2)30(24)35)27-17-12-22-23(43-15-42-22)13-18(17)29(19-14-41-31(36)28(19)27)32-20-6-3-4-7-21(20)40-9-5-8-26(34)33-37/h3-4,6-7,10-13,19,27-29,32,35,37H,5,8-9,14-15H2,1-2H3,(H,33,34)/t19-,27+,28-,29+/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	1.44E+3	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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