BDBM50022238 (R)-5-Fluoro-1-((4S,5R)-4-hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione::5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE::5-Fluoro-2-Deoxyuridine Monophosphate (Fdump)::CHEMBL886::Phosphoric acid mono-[(2R,3S,5R)-5-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl] ester::Phosphoric acid mono-[5-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl] ester

SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O

InChI Key InChIKey=HFEKDTCAMMOLQP-RRKCRQDMSA-N

Data  10 KI  4 IC50  2 Kd

PDB links: 41 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50022238   

TargetThymidylate synthase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50022238((R)-5-Fluoro-1-((4S,5R)-4-hydroxy-5-methylphosphat...)
Affinity DataKi:  0.00100nM Kd:  0.00100nMAssay Description:Binding affinity to amethopterin-resistant Lactobacillus casei thymidylate synthetase in presence of cofactor permitting covalent bond formationMore data for this Ligand-Target Pair
TargetThymidylate synthase(Escherichia coli)
TBA

Curated by ChEMBL
LigandPNGBDBM50022238((R)-5-Fluoro-1-((4S,5R)-4-hydroxy-5-methylphosphat...)
Affinity DataKi:  10nMAssay Description:Compound was evaluated for the inhibition of dTMP synthetase with respect to dUMP.More data for this Ligand-Target Pair
TargetThymidylate synthase(Mus musculus)
Polish Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50022238((R)-5-Fluoro-1-((4S,5R)-4-hydroxy-5-methylphosphat...)
Affinity DataKi:  10nMAssay Description:Apparent Ki value of the compound was measured by competitive inhibition of Thymidylate Synthases from Ehrlich Carcinoma cells of mouseMore data for this Ligand-Target Pair
TargetThymidylate synthase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50022238((R)-5-Fluoro-1-((4S,5R)-4-hydroxy-5-methylphosphat...)
Affinity DataKi:  14nMAssay Description:Inhibition of amethopterin-resistant Lactobacillus casei thymidylate synthetase-catalyzed dTMP formation using dUMP as substrate by spectrophotometri...More data for this Ligand-Target Pair
TargetThymidylate synthase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50022238((R)-5-Fluoro-1-((4S,5R)-4-hydroxy-5-methylphosphat...)
Affinity DataKi:  14nMAssay Description:Competitive inhibition of thymidylate synthase purified from methotrexate-resistant Lactobacillus casei using 2'-deoxy[5-3H]uridine 5'-phosphate by r...More data for this Ligand-Target Pair
TargetThymidylate synthase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50022238((R)-5-Fluoro-1-((4S,5R)-4-hydroxy-5-methylphosphat...)
Affinity DataKi:  14nMAssay Description:Inhibition of human thymidylate synthase expressed in Escherichia coli incubated for 1 hr by spectrophotometryMore data for this Ligand-Target Pair
TargetThymidylate synthase(Mus musculus)
Polish Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50022238((R)-5-Fluoro-1-((4S,5R)-4-hydroxy-5-methylphosphat...)
Affinity DataKi:  20nMAssay Description:Apparent Ki value of the compound was measured by competitive inhibition of Thymidylate Synthases from L1210 cells of mouseMore data for this Ligand-Target Pair
TargetThymidylate synthase(Mus musculus)
Polish Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50022238((R)-5-Fluoro-1-((4S,5R)-4-hydroxy-5-methylphosphat...)
Affinity DataKi:  20nMAssay Description:Time-independent inhibition of thymidylate synthase from parenteral L1210 cellsMore data for this Ligand-Target Pair
TargetThymidylate synthase(Mus musculus)
Polish Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50022238((R)-5-Fluoro-1-((4S,5R)-4-hydroxy-5-methylphosphat...)
Affinity DataKi:  30nMAssay Description:Time-independent inhibition of thymidylate synthase from FdUrd-resistant L1210 cellsMore data for this Ligand-Target Pair
TargetThymidylate synthase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50022238((R)-5-Fluoro-1-((4S,5R)-4-hydroxy-5-methylphosphat...)
Affinity DataKi:  1.49E+4nMAssay Description:Inhibition of amethopterin-resistant Lactobacillus casei thymidylate synthetase-catalyzed 5-BrdUMP dehalogenation by absorbance analysis in absence o...More data for this Ligand-Target Pair
TargetThymidylate synthase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50022238((R)-5-Fluoro-1-((4S,5R)-4-hydroxy-5-methylphosphat...)
Affinity DataKd:  10nMAssay Description:Binding affinity to amethopterin-resistant Lactobacillus casei thymidylate synthetase in presence of cofactor not permitting covalent bond formationMore data for this Ligand-Target Pair
TargetThymidylate synthase(Mus musculus)
Polish Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50022238((R)-5-Fluoro-1-((4S,5R)-4-hydroxy-5-methylphosphat...)
Affinity DataIC50:  8nMAssay Description:Inhibition of cellular thymidylate synthase activity of mouse fibroblast (L929 TK-) in permeabilised cells.More data for this Ligand-Target Pair
TargetThymidylate synthase(Mus musculus)
Polish Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50022238((R)-5-Fluoro-1-((4S,5R)-4-hydroxy-5-methylphosphat...)
Affinity DataIC50:  42nMAssay Description:Inhibition of cellular thymidylate synthase activity of murine leukemia cell line (L1210) in permeabilised cells.More data for this Ligand-Target Pair
TargetThymidylate synthase(Mus musculus)
Polish Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50022238((R)-5-Fluoro-1-((4S,5R)-4-hydroxy-5-methylphosphat...)
Affinity DataIC50:  17nMAssay Description:Inhibition of cellular thymidylate synthase activity of murine leukemia cell line (L1210) in intact cells.More data for this Ligand-Target Pair
TargetThymidylate synthase(Mus musculus)
Polish Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50022238((R)-5-Fluoro-1-((4S,5R)-4-hydroxy-5-methylphosphat...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of cellular thymidylate synthase activity of mouse fibroblast (L929 TK-) in intact cells.More data for this Ligand-Target Pair