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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 = 'BDBM50145101'   
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))
BDBM50145101
PNG
(CHEMBL3763674)
Show SMILES Fc1ccc(cc1)C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccc(CN2CCC2)cc1
Show InChI InChI=1S/C26H23FN4O/c27-19-11-9-17(10-12-19)22-24(18-7-5-16(6-8-18)15-31-13-2-14-31)28-21-4-1-3-20-23(21)25(22)29-30-26(20)32/h1,3-12,22,24,28H,2,13-15H2,(H,30,32)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10n/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))
BDBM50145101
PNG
(CHEMBL3763674)
Show SMILES Fc1ccc(cc1)C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccc(CN2CCC2)cc1
Show InChI InChI=1S/C26H23FN4O/c27-19-11-9-17(10-12-19)22-24(18-7-5-16(6-8-18)15-31-13-2-14-31)28-21-4-1-3-20-23(21)25(22)29-30-26(20)32/h1,3-12,22,24,28H,2,13-15H2,(H,30,32)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.80n/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