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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 = 'BDBM27088'   
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))
BDBM27088
PNG
(1H-1,3-benzodiazole-4-carboxamide | 1H-benzimidazo...)
Show SMILES NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C8H7N3O/c9-8(12)5-2-1-3-6-7(5)11-4-10-6/h1-4H,(H2,9,12)(H,10,11)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
95n/an/an/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
In vitro inhibition against human full length PARP protein


J Med Chem 43: 4084-97 (2000)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27088
PNG
(1H-1,3-benzodiazole-4-carboxamide | 1H-benzimidazo...)
Show SMILES NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C8H7N3O/c9-8(12)5-2-1-3-6-7(5)11-4-10-6/h1-4H,(H2,9,12)(H,10,11)
PDB
MMDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
240n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 18: 3955-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.023
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27088
PNG
(1H-1,3-benzodiazole-4-carboxamide | 1H-benzimidazo...)
Show SMILES NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C8H7N3O/c9-8(12)5-2-1-3-6-7(5)11-4-10-6/h1-4H,(H2,9,12)(H,10,11)
PDB
MMDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
240 -37.4n/an/an/an/an/a8.022



Abbott Laboratories



Assay Description
PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer...


Bioorg Med Chem 16: 6965-75 (2008)


Article DOI: 10.1016/j.bmc.2008.05.044
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27088
PNG
(1H-1,3-benzodiazole-4-carboxamide | 1H-benzimidazo...)
Show SMILES NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C8H7N3O/c9-8(12)5-2-1-3-6-7(5)11-4-10-6/h1-4H,(H2,9,12)(H,10,11)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 240n/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