Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-3, mitochondrial' and Ligand = 'BDBM50178766'   

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
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM50178766 (2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole...) Show SMILES NC(=O)C1CCCCc2c1[nH]c1ccc(Cl)cc21 Show InChI InChI=1S/C14H15ClN2O/c15-8-5-6-12-11(7-8)9-3-1-2-4-10(14(16)18)13(9)17-12/h5-7,10,17H,1-4H2,(H2,16,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Elixir Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human SIRT3 expressed in Escherichia coli by fluorimetric assay				J Med Chem 48: 8045-54 (2005) Article DOI: 10.1021/jm050522v BindingDB Entry DOI: 10.7270/Q27D2TPK
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