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BDBM50001205 CHEMBL3236421

SMILES: Nc1ccn([C@@H]2O[C@H](COP(O)(=O)NC(=O)c3ccccc3)[C@@H](O)C2(F)F)c(=O)n1

InChI Key: InChIKey=FLTYXOKRJBGVOB-VQSXYIRPNA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50001205   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50001205
PNG
(CHEMBL3236421)
Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(=O)NC(=O)c3ccccc3)[C@@H](O)C2(F)F)c(=O)n1
Show InChI InChI=1/C16H17F2N4O7P/c17-16(18)12(23)10(29-14(16)22-7-6-11(19)20-15(22)25)8-28-30(26,27)21-13(24)9-4-2-1-3-5-9/h1-7,10,12,14,23H,8H2,(H2,19,20,25)(H2,21,24,26,27)/t10-,12-,14-/s2
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Article
PubMed
n/an/an/an/a>5.00E+5n/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase alpha using dCTP as substrate assessed as single base extension reaction after 2 hrs


Bioorg Med Chem 22: 2133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.02.034
BindingDB Entry DOI: 10.7270/Q20866TW
More data for this
Ligand-Target Pair