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SMILES: Cc1noc(CCC2CC(=O)c3cc(Cl)cc(Br)c3O2)n1

InChI Key: InChIKey=XPCVYFSZCSQJDI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50032646   
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))		BDBM50032646
PNG
(CHEMBL3354214)
Show SMILES Cc1noc(CCC2CC(=O)c3cc(Cl)cc(Br)c3O2)n1
Show InChI InChI=1S/C14H12BrClN2O3/c1-7-17-13(21-18-7)3-2-9-6-12(19)10-4-8(16)5-11(15)14(10)20-9/h4-5,9H,2-3,6H2,1H3
PDB
MMDB

NCI pathway
KEGG

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B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.22E+4n/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