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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 = 'BDBM50145087'   
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))
BDBM50145087
PNG
(CHEMBL3764052)
Show SMILES CN(C)Cc1ccc(cc1)C1Nc2cccc3c2c(n[nH]c3=O)C1c1ccccc1
Show InChI InChI=1S/C25H24N4O/c1-29(2)15-16-11-13-18(14-12-16)23-21(17-7-4-3-5-8-17)24-22-19(25(30)28-27-24)9-6-10-20(22)26-23/h3-14,21,23,26H,15H2,1-2H3,(H,28,30)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



BioMarin Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis


J Med Chem 59: 335-57 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01498
BindingDB Entry DOI: 10.7270/Q2K35WJR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50145087
PNG
(CHEMBL3764052)
Show SMILES CN(C)Cc1ccc(cc1)C1Nc2cccc3c2c(n[nH]c3=O)C1c1ccccc1
Show InChI InChI=1S/C25H24N4O/c1-29(2)15-16-11-13-18(14-12-16)23-21(17-7-4-3-5-8-17)24-22-19(25(30)28-27-24)9-6-10-20(22)26-23/h3-14,21,23,26H,15H2,1-2H3,(H,28,30)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

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



BioMarin Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay


J Med Chem 59: 335-57 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01498
BindingDB Entry DOI: 10.7270/Q2K35WJR
More data for this
Ligand-Target Pair