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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 297.3
BDBM50025600

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50025600
PNG
((4-Butyl-phenyl)-(6-methoxy-9H-purin-2-yl)-amine |...)
Show SMILES CCCCc1ccc(Nc2nc(OC)c3[nH]cnc3n2)cc1
Show InChI InChI=1S/C16H19N5O/c1-3-4-5-11-6-8-12(9-7-11)19-16-20-14-13(17-10-18-14)15(21-16)22-2/h6-10H,3-5H2,1-2H3,(H2,17,18,19,20,21)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the concentration which gives half-maximal inhibition of Chinese Hamster Ovary DNA polymerase alpha


J Med Chem 30: 109-16 (1987)


BindingDB Entry DOI: 10.7270/Q2ZG6R83
More data for this
Ligand-Target Pair