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Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50297829'   
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))
BDBM50297829
PNG
(7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-...)
Show SMILES O=c1[nH]c2cc(CN3CCCC3)ccc2n2cccc12
Show InChI InChI=1S/C16H17N3O/c20-16-15-4-3-9-19(15)14-6-5-12(10-13(14)17-16)11-18-7-1-2-8-18/h3-6,9-10H,1-2,7-8,11H2,(H,17,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by microplate scintillation counting


Bioorg Med Chem Lett 19: 4050-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.016
BindingDB Entry DOI: 10.7270/Q2QJ7HB0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50297829
PNG
(7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-...)
Show SMILES O=c1[nH]c2cc(CN3CCCC3)ccc2n2cccc12
Show InChI InChI=1S/C16H17N3O/c20-16-15-4-3-9-19(15)14-6-5-12(10-13(14)17-16)11-18-7-1-2-8-18/h3-6,9-10H,1-2,7-8,11H2,(H,17,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/a 6n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4050-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.016
BindingDB Entry DOI: 10.7270/Q2QJ7HB0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)