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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM27091'   
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))
BDBM27091
PNG
(2-phenyl-1H-1,3-benzodiazole-4-carboxamide | CHEMB...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C14H11N3O/c15-13(18)10-7-4-8-11-12(10)17-14(16-11)9-5-2-1-3-6-9/h1-8H,(H2,15,18)(H,16,17)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



University of Newcastle

Curated by ChEMBL


Assay Description
Binding affinity towards human poly(ADP-ribose) polymerase-1 (PARP-1)


Bioorg Med Chem Lett 14: 2433-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.017
BindingDB Entry DOI: 10.7270/Q2542N1M
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27091
PNG
(2-phenyl-1H-1,3-benzodiazole-4-carboxamide | CHEMB...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C14H11N3O/c15-13(18)10-7-4-8-11-12(10)17-14(16-11)9-5-2-1-3-6-9/h1-8H,(H2,15,18)(H,16,17)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
15n/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)


Article DOI: 10.1021/jm000950v
BindingDB Entry DOI: 10.7270/Q2MP52HJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27091
PNG
(2-phenyl-1H-1,3-benzodiazole-4-carboxamide | CHEMB...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C14H11N3O/c15-13(18)10-7-4-8-11-12(10)17-14(16-11)9-5-2-1-3-6-9/h1-8H,(H2,15,18)(H,16,17)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
17n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27091
PNG
(2-phenyl-1H-1,3-benzodiazole-4-carboxamide | CHEMB...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C14H11N3O/c15-13(18)10-7-4-8-11-12(10)17-14(16-11)9-5-2-1-3-6-9/h1-8H,(H2,15,18)(H,16,17)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
17 -43.9n/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
BindingDB Entry DOI: 10.7270/Q2JD4V3X
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27091
PNG
(2-phenyl-1H-1,3-benzodiazole-4-carboxamide | CHEMB...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C14H11N3O/c15-13(18)10-7-4-8-11-12(10)17-14(16-11)9-5-2-1-3-6-9/h1-8H,(H2,15,18)(H,16,17)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 75n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair