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BDBM50241922 CHEMBL486991::ddCTP SODIUM::sodium ((2S,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl trihydrogentriphosphate

SMILES: Nc1ccn([C@H]2CC[C@@H](COP([O-])(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1

InChI Key: InChIKey=ARLKCWCREKRROD-POYBYMJQSA-M

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50241922   
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 beta


(Homo sapiens (Human))
BDBM50241922
PNG
(CHEMBL486991 | ddCTP SODIUM | sodium ((2S,5R)-5-(4...)
Show SMILES Nc1ccn([C@H]2CC[C@@H](COP([O-])(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r|
Show InChI InChI=1S/C9H16N3O12P3/c10-7-3-4-12(9(13)11-7)8-2-1-6(22-8)5-21-26(17,18)24-27(19,20)23-25(14,15)16/h3-4,6,8H,1-2,5H2,(H,17,18)(H,19,20)(H2,10,11,13)(H2,14,15,16)/p-1/t6-,8+/m0/s1
PDB
MMDB

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CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



National Center for Scientific Research (CNRS)-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta assessed as fluorescein-12-dCTP incorporation by fluorimetry


J Nat Prod 68: 979-84 (2005)


Article DOI: 10.1021/np049676o
BindingDB Entry DOI: 10.7270/Q2VT1RVB
More data for this
Ligand-Target Pair