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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 = 'BDBM50300007'   
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))
BDBM50300007
PNG
(2-(4-(3-Methyl-1,2,4-oxadiazol-5-yl)phenyl)-1H-ben...)
Show SMILES Cc1noc(n1)-c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C17H13N5O2/c1-9-19-17(24-22-9)11-7-5-10(6-8-11)16-20-13-4-2-3-12(15(18)23)14(13)21-16/h2-8H,1H3,(H2,18,23)(H,20,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation counting


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300007
PNG
(2-(4-(3-Methyl-1,2,4-oxadiazol-5-yl)phenyl)-1H-ben...)
Show SMILES Cc1noc(n1)-c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C17H13N5O2/c1-9-19-17(24-22-9)11-7-5-10(6-8-11)16-20-13-4-2-3-12(15(18)23)14(13)21-16/h2-8H,1H3,(H2,18,23)(H,20,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 9.10n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human C41 cells after 30 mins by cell-based assay


J Med Chem 52: 6803-13 (2009)


Article DOI: 10.1021/jm900697r
BindingDB Entry DOI: 10.7270/Q2DN4548
More data for this
Ligand-Target Pair