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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 = 'BDBM50145096'   
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))
BDBM50145096
PNG
(CHEMBL3765611)
Show SMILES CN(C)Cc1ccc(cc1)C1Nc2cc(F)cc3c2c(n[nH]c3=O)C1c1ccc(F)cc1
Show InChI InChI=1S/C25H22F2N4O/c1-31(2)13-14-3-5-16(6-4-14)23-21(15-7-9-17(26)10-8-15)24-22-19(25(32)30-29-24)11-18(27)12-20(22)28-23/h3-12,21,23,28H,13H2,1-2H3,(H,30,32)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.60n/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))
BDBM50145096
PNG
(CHEMBL3765611)
Show SMILES CN(C)Cc1ccc(cc1)C1Nc2cc(F)cc3c2c(n[nH]c3=O)C1c1ccc(F)cc1
Show InChI InChI=1S/C25H22F2N4O/c1-31(2)13-14-3-5-16(6-4-14)23-21(15-7-9-17(26)10-8-15)24-22-19(25(32)30-29-24)11-18(27)12-20(22)28-23/h3-12,21,23,28H,13H2,1-2H3,(H,30,32)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 6.10n/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