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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' AND taxid = 9913   
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


(Bos taurus)
BDBM27503
PNG
(5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...)
Show SMILES Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,10H2,(H,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 240n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of calf thymus PARP1


J Med Chem 52: 868-77 (2009)


Article DOI: 10.1021/jm8013629
BindingDB Entry DOI: 10.7270/Q25M65KB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Bos taurus)
BDBM27503
PNG
(5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...)
Show SMILES Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,10H2,(H,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of calf thymus PARP-1


Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Bos taurus)
BDBM27500
PNG
(5,6-dihydrophenanthridin-6-one | 5H-Phenanthridin-...)
Show SMILES O=c1[nH]c2ccccc2c2ccccc12
Show InChI InChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of calf thymus ARTD1 assessed as incorporation of [Ade-U-14C]-NAD+ after 10 mins by liquid scintillation counting analysis


Citation and Details

Article DOI: 10.1021/ml400292s
BindingDB Entry DOI: 10.7270/Q2SB477R
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Bos taurus)
BDBM50446131
PNG
(CHEMBL3108871)
Show SMILES O=c1[nH]c2sccc2c2ccccc12
Show InChI InChI=1S/C11H7NOS/c13-10-8-4-2-1-3-7(8)9-5-6-14-11(9)12-10/h1-6H,(H,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 450n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of bovine ARTD1 assessed as incorporation of [adenine-2,8-3H]NAD after 1 hr by liquid scintillation spectrometric analysis


Citation and Details

Article DOI: 10.1021/ml400292s
BindingDB Entry DOI: 10.7270/Q2SB477R
More data for this
Ligand-Target Pair