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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 = 'BDBM50130580'   
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))
BDBM50130580
PNG
(3-Amino-5H-benzo[c][1,5]naphthyridin-6-one | 3-ami...)
Show SMILES Nc1cnc2c(c1)[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C12H9N3O/c13-7-5-10-11(14-6-7)8-3-1-2-4-9(8)12(16)15-10/h1-6H,13H2,(H,15,16)
PDB
MMDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Poly (ADP-ribose) polymerase 1


J Med Chem 46: 3138-51 (2003)


Article DOI: 10.1021/jm030109s
BindingDB Entry DOI: 10.7270/Q2Z89D5P
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50130580
PNG
(3-Amino-5H-benzo[c][1,5]naphthyridin-6-one | 3-ami...)
Show SMILES Nc1cnc2c(c1)[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C12H9N3O/c13-7-5-10-11(14-6-7)8-3-1-2-4-9(8)12(16)15-10/h1-6H,13H2,(H,15,16)
PDB
MMDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PARP1


J Med Chem 52: 718-25 (2009)


Article DOI: 10.1021/jm800902t
BindingDB Entry DOI: 10.7270/Q2C53KPW
More data for this
Ligand-Target Pair