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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase HST2' and Ligand = 'BDBM50304354'   
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 HST2


(Saccharomyces cerevisiae)
BDBM50304354
PNG
(3-(1-Oxo-1,3-dihydro-isoindol-2-yl)-propionic acid...)
Show SMILES OC(=O)CCN1Cc2ccccc2C1=O
Show InChI InChI=1S/C11H11NO3/c13-10(14)5-6-12-7-8-3-1-2-4-9(8)11(12)15/h1-4H,5-7H2,(H,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.00E+4n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of yeast Hst2 using NAD+ substrate


Bioorg Med Chem 17: 7031-41 (2009)


Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase HST2


(Saccharomyces cerevisiae)
BDBM50304354
PNG
(3-(1-Oxo-1,3-dihydro-isoindol-2-yl)-propionic acid...)
Show SMILES OC(=O)CCN1Cc2ccccc2C1=O
Show InChI InChI=1S/C11H11NO3/c13-10(14)5-6-12-7-8-3-1-2-4-9(8)11(12)15/h1-4H,5-7H2,(H,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.90E+4n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of yeast Hst2 using Acetyl-lysine substrate


Bioorg Med Chem 17: 7031-41 (2009)


Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase HST2


(Saccharomyces cerevisiae)
BDBM50304354
PNG
(3-(1-Oxo-1,3-dihydro-isoindol-2-yl)-propionic acid...)
Show SMILES OC(=O)CCN1Cc2ccccc2C1=O
Show InChI InChI=1S/C11H11NO3/c13-10(14)5-6-12-7-8-3-1-2-4-9(8)11(12)15/h1-4H,5-7H2,(H,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.99E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of yeast Hst2 by fluorimetric assay


Bioorg Med Chem 17: 7031-41 (2009)


Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase HST2


(Saccharomyces cerevisiae)
BDBM50304354
PNG
(3-(1-Oxo-1,3-dihydro-isoindol-2-yl)-propionic acid...)
Show SMILES OC(=O)CCN1Cc2ccccc2C1=O
Show InChI InChI=1S/C11H11NO3/c13-10(14)5-6-12-7-8-3-1-2-4-9(8)11(12)15/h1-4H,5-7H2,(H,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.99E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of yeast Hst2 by fluorimetric assay


Bioorg Med Chem 17: 7031-41 (2009)


Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG
More data for this
Ligand-Target Pair