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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-2' and Ligand = 'BDBM50004135'   
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))
BDBM50004135
PNG
(CHEMBL3236132)
Show SMILES NC(=O)c1ccccc1Nc1cccc(c1)-c1cn(CCC2CCCC2)nn1
Show InChI InChI=1S/C22H25N5O/c23-22(28)19-10-3-4-11-20(19)24-18-9-5-8-17(14-18)21-15-27(26-25-21)13-12-16-6-1-2-7-16/h3-5,8-11,14-16,24H,1-2,6-7,12-13H2,(H2,23,28)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 570n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of sirtuin 2 (unknown origin)


Eur J Med Chem 161: 48-77 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.028
BindingDB Entry DOI: 10.7270/Q2W380VZ
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50004135
PNG
(CHEMBL3236132)
Show SMILES NC(=O)c1ccccc1Nc1cccc(c1)-c1cn(CCC2CCCC2)nn1
Show InChI InChI=1S/C22H25N5O/c23-22(28)19-10-3-4-11-20(19)24-18-9-5-8-17(14-18)21-15-27(26-25-21)13-12-16-6-1-2-7-16/h3-5,8-11,14-16,24H,1-2,6-7,12-13H2,(H2,23,28)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 using Fluor-de-Lys as substrate incubated for 60 mins prior to substrate addition measured after 60 mins by flu...


Bioorg Med Chem Lett 24: 1871-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.026
BindingDB Entry DOI: 10.7270/Q2BG2QHQ
More data for this
Ligand-Target Pair