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PDB code 4GV7

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Poly [ADP-ribose] polymerase 1

  (349/351 > 99%)
(Homo sapiens (Human))
BDBM50241202
PNG
(2-Methyl-3H-quinazolin-4-one | CHEMBL395092)
Show SMILES Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C9H8N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12)
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Article
PubMed
n/an/a 1.21E+3n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using TACS-Sapphire substrate for 30 mins by colorimetry


Eur J Med Chem 50: 264-73 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.001
BindingDB Entry DOI: 10.7270/Q2FT8MGP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1

  (349/351 > 99%)
(Homo sapiens (Human))
BDBM50241202
PNG
(2-Methyl-3H-quinazolin-4-one | CHEMBL395092)
Show SMILES Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C9H8N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12)
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Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
The compound was tested for poly(ADP-ribose)polymerase (PARP) inhibition


J Med Chem 44: 3786-94 (2001)


Article DOI: 10.1021/jm010116l
BindingDB Entry DOI: 10.7270/Q2B857DN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output