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SMILES: COC(=O)CCCC1CC(=O)c2cc(Cl)cc(Br)c2O1

InChI Key: InChIKey=NQIMRQHRRJQKRU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50032636   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50032636
PNG
(CHEMBL3354206)
Show SMILES COC(=O)CCCC1CC(=O)c2cc(Cl)cc(Br)c2O1
Show InChI InChI=1S/C14H14BrClO4/c1-19-13(18)4-2-3-9-7-12(17)10-5-8(16)6-11(15)14(10)20-9/h5-6,9H,2-4,7H2,1H3
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Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Gothenburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged sirtuin-2 (unknown origin) using KI179 as substrate after 1 hr by fluorescence assay

J Med Chem 57: 9870-88 (2014)


Article DOI: 10.1021/jm500930h
BindingDB Entry DOI: 10.7270/Q2ST7RG2
More data for this
Ligand-Target Pair