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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 282.3
BDBM50025593

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))
BDBM50025593
PNG
(CHEMBL16122 | N*2*-(4-Butyl-phenyl)-9H-purine-2,6-...)
Show SMILES CCCCc1ccc(Nc2nc(N)c3[nH]cnc3n2)cc1
Show InChI InChI=1S/C15H18N6/c1-2-3-4-10-5-7-11(8-6-10)19-15-20-13(16)12-14(21-15)18-9-17-12/h5-9H,2-4H2,1H3,(H4,16,17,18,19,20,21)
PDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
1.44E+4n/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