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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 = 'BDBM50241183'   
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))
BDBM50241183
PNG
((E)-N-(2-(1H-indol-3-yl)ethyl)-4-(3-(4-(benzyloxy)...)
Show SMILES O=C(NC1(CCNCC1)C(=O)NCCc1c[nH]c2ccccc12)\C=C\c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C32H34N4O3/c37-30(15-12-24-10-13-27(14-11-24)39-23-25-6-2-1-3-7-25)36-32(17-20-33-21-18-32)31(38)34-19-16-26-22-35-29-9-5-4-8-28(26)29/h1-15,22,33,35H,16-21,23H2,(H,34,38)(H,36,37)/b15-12+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.30E+4n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of SIRT2


Bioorg Med Chem Lett 17: 2448-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.023
BindingDB Entry DOI: 10.7270/Q2CR5V53
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50241183
PNG
((E)-N-(2-(1H-indol-3-yl)ethyl)-4-(3-(4-(benzyloxy)...)
Show SMILES O=C(NC1(CCNCC1)C(=O)NCCc1c[nH]c2ccccc12)\C=C\c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C32H34N4O3/c37-30(15-12-24-10-13-27(14-11-24)39-23-25-6-2-1-3-7-25)36-32(17-20-33-21-18-32)31(38)34-19-16-26-22-35-29-9-5-4-8-28(26)29/h1-15,22,33,35H,16-21,23H2,(H,34,38)(H,36,37)/b15-12+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.30E+4n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged SIRT2 (unknown origin) by Fluor de Lys fluorescence assay


Bioorg Med Chem 16: 8054-62 (2008)


Article DOI: 10.1016/j.bmc.2008.07.059
BindingDB Entry DOI: 10.7270/Q2TB16QS
More data for this
Ligand-Target Pair