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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM27712'   
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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27712
PNG
(5-chloro-2-methyl-3,4-dihydroquinazolin-4-one | CH...)
Show SMILES Cc1nc2cccc(Cl)c2c(=O)[nH]1
Show InChI InChI=1S/C9H7ClN2O/c1-5-11-7-4-2-3-6(10)8(7)9(13)12-5/h2-4H,1H3,(H,11,12,13)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.18E+3n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using TACS-Sapphire substrate for 30 mins by colorimetry


Eur J Med Chem 50: 264-73 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.001
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27712
PNG
(5-chloro-2-methyl-3,4-dihydroquinazolin-4-one | CH...)
Show SMILES Cc1nc2cccc(Cl)c2c(=O)[nH]1
Show InChI InChI=1S/C9H7ClN2O/c1-5-11-7-4-2-3-6(10)8(7)9(13)12-5/h2-4H,1H3,(H,11,12,13)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Johns Hopkins University Brain Science Institute

Curated by ChEMBL


Assay Description
Inhibition of PARP1


J Med Chem 53: 4561-84 (2010)


Article DOI: 10.1021/jm100012m
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27712
PNG
(5-chloro-2-methyl-3,4-dihydroquinazolin-4-one | CH...)
Show SMILES Cc1nc2cccc(Cl)c2c(=O)[nH]1
Show InChI InChI=1S/C9H7ClN2O/c1-5-11-7-4-2-3-6(10)8(7)9(13)12-5/h2-4H,1H3,(H,11,12,13)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.20E+3n/an/an/an/a8.023



Fujisawa Pharmaceutical Co. Ltd



Assay Description
To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste...


Bioorg Med Chem 14: 1378-90 (2006)


Article DOI: 10.1016/j.bmc.2005.09.061
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27712
PNG
(5-chloro-2-methyl-3,4-dihydroquinazolin-4-one | CH...)
Show SMILES Cc1nc2cccc(Cl)c2c(=O)[nH]1
Show InChI InChI=1S/C9H7ClN2O/c1-5-11-7-4-2-3-6(10)8(7)9(13)12-5/h2-4H,1H3,(H,11,12,13)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1


J Med Chem 47: 4151-4 (2004)


Article DOI: 10.1021/jm0499256
More data for this
Ligand-Target Pair