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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50335641'   
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))
BDBM50335641
PNG
(4-Oxo-4,5-dihydrothieno[3,2-c]quinoline-7-carboxam...)
Show SMILES NC(=O)c1ccc2c3sccc3c(=O)[nH]c2c1
Show InChI InChI=1S/C12H8N2O2S/c13-11(15)6-1-2-7-9(5-6)14-12(16)8-3-4-17-10(7)8/h1-5H,(H2,13,15)(H,14,16)
PDB
MMDB

UniProtKB/SwissProt

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

Patents


Similars

n/an/a 60n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q21N857Q
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50335641
PNG
(4-Oxo-4,5-dihydrothieno[3,2-c]quinoline-7-carboxam...)
Show SMILES NC(=O)c1ccc2c3sccc3c(=O)[nH]c2c1
Show InChI InChI=1S/C12H8N2O2S/c13-11(15)6-1-2-7-9(5-6)14-12(16)8-3-4-17-10(7)8/h1-5H,(H2,13,15)(H,14,16)
PDB
MMDB

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by chemiluminescence assay


J Med Chem 54: 635-54 (2011)


Article DOI: 10.1021/jm101251q
BindingDB Entry DOI: 10.7270/Q2J67H7N
More data for this
Ligand-Target Pair