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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50296562'   
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))
BDBM50296562
PNG
(4-methyl-N-(2-(6-oxo-6,7,8,9-tetrahydro-3H-pyrrolo...)
Show SMILES CN1CCCN(CC1)C(=O)NCCc1c[nH]c2ccc3C(=O)NCCc3c12
Show InChI InChI=1S/C20H27N5O2/c1-24-9-2-10-25(12-11-24)20(27)22-7-5-14-13-23-17-4-3-16-15(18(14)17)6-8-21-19(16)26/h3-4,13,23H,2,5-12H2,1H3,(H,21,26)(H,22,27)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 58n/an/an/an/an/an/a



IRBM--Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human HeLa cells by microplate scintillation counting


Bioorg Med Chem Lett 19: 4042-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.031
BindingDB Entry DOI: 10.7270/Q2WH2Q09
More data for this
Ligand-Target Pair