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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-2' and Ligand = 'BDBM50350510'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50350510
PNG
(CHEMBL1814815)
Show SMILES CC(=O)NCCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCNC(C)=O)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C24H43N7O6S/c1-15(32)26-13-7-10-19(22(25)35)30-24(37)21(9-5-6-12-28-18(4)38)31-23(36)20(29-17(3)34)11-8-14-27-16(2)33/h19-21H,5-14H2,1-4H3,(H2,25,35)(H,26,32)(H,27,33)(H,28,38)(H,29,34)(H,30,37)(H,31,36)/t19-,20-,21-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



University of Akron

Curated by ChEMBL


Assay Description
Inhibition of human full length SIRT2 using H2N-MPSD-AcK-TIGG-COOH as substrate assessed as enzymatic deacetylation product formation after 60 mins b...


Bioorg Med Chem Lett 21: 4753-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.069
BindingDB Entry DOI: 10.7270/Q2DB827S
More data for this
Ligand-Target Pair