Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50079496'   

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))	BDBM50079496 (CHEMBL3417209) Show SMILES COc1cc2CC[C@H](NC(=O)c3ccc(cc3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C34H33N3O7/c1-41-28-16-14-22-23(18-27(28)38)25(15-13-21-17-29(42-2)31(43-3)32(44-4)30(21)22)36-33(39)19-9-11-20(12-10-19)34(40)37-26-8-6-5-7-24(26)35/h5-12,14,16-18,25H,13,15,35H2,1-4H3,(H,36,39)(H,37,40)/t25-/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	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
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