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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-2' and Ligand = 'BDBM50309831'   
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))
BDBM50309831
PNG
(10-Phenyl-7-oxa-8,10-diaza-benzo[a]anthracene-9,11...)
Show SMILES O=c1nc2oc3ccc4ccccc4c3cc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H12N2O3/c24-20-17-12-16-15-9-5-4-6-13(15)10-11-18(16)26-19(17)22-21(25)23(20)14-7-2-1-3-8-14/h1-12H
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.23E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 expressed in Escherichia coli cells using acetylated Lys side chain amino acids 379-382 (Arg-His-Lys-Lys(Ac)) p...


J Med Chem 55: 8193-7 (2012)


Article DOI: 10.1021/jm301115r
BindingDB Entry DOI: 10.7270/Q2JW8G0C
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50309831
PNG
(10-Phenyl-7-oxa-8,10-diaza-benzo[a]anthracene-9,11...)
Show SMILES O=c1nc2oc3ccc4ccccc4c3cc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H12N2O3/c24-20-17-12-16-15-9-5-4-6-13(15)10-11-18(16)26-19(17)22-21(25)23(20)14-7-2-1-3-8-14/h1-12H
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.23E+4n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of SIRT2 (unknown origin)


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
BindingDB Entry DOI: 10.7270/Q23X88DK
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50309831
PNG
(10-Phenyl-7-oxa-8,10-diaza-benzo[a]anthracene-9,11...)
Show SMILES O=c1nc2oc3ccc4ccccc4c3cc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H12N2O3/c24-20-17-12-16-15-9-5-4-6-13(15)10-11-18(16)26-19(17)22-21(25)23(20)14-7-2-1-3-8-14/h1-12H
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.91E+5n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 expressed in Escherichia coli using Fluor de Lys substrate by fluorescence assay


J Med Chem 55: 8193-7 (2012)


Article DOI: 10.1021/jm301115r
BindingDB Entry DOI: 10.7270/Q2JW8G0C
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50309831
PNG
(10-Phenyl-7-oxa-8,10-diaza-benzo[a]anthracene-9,11...)
Show SMILES O=c1nc2oc3ccc4ccccc4c3cc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H12N2O3/c24-20-17-12-16-15-9-5-4-6-13(15)10-11-18(16)26-19(17)22-21(25)23(20)14-7-2-1-3-8-14/h1-12H
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 1.91E+5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50309831
PNG
(10-Phenyl-7-oxa-8,10-diaza-benzo[a]anthracene-9,11...)
Show SMILES O=c1nc2oc3ccc4ccccc4c3cc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H12N2O3/c24-20-17-12-16-15-9-5-4-6-13(15)10-11-18(16)26-19(17)22-21(25)23(20)14-7-2-1-3-8-14/h1-12H
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.91E+5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 by Flour de Lys assay


J Med Chem 53: 1407-11 (2010)


Article DOI: 10.1021/jm9013345
BindingDB Entry DOI: 10.7270/Q23T9HBX
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50309831
PNG
(10-Phenyl-7-oxa-8,10-diaza-benzo[a]anthracene-9,11...)
Show SMILES O=c1nc2oc3ccc4ccccc4c3cc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H12N2O3/c24-20-17-12-16-15-9-5-4-6-13(15)10-11-18(16)26-19(17)22-21(25)23(20)14-7-2-1-3-8-14/h1-12H
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.91E+5n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 expressed in Escherichia coli incubated at 37 degC for 2 hrs by Fluor de Lys fluorescence assay


Bioorg Med Chem 19: 3659-68 (2011)


Article DOI: 10.1016/j.bmc.2011.01.025
BindingDB Entry DOI: 10.7270/Q25X298J
More data for this
Ligand-Target Pair