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BDBM50340678 1-(beta-D-2-deoxy-erythro-pentofuranosyl)-5-fluorouracil::2'-deoxy-5-fluorouridine::5-Fluoro-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione::5-Fluoro-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione::5-fluoro-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione::5-fluoro-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione::5-fluoro-2'-Deoxy-uridine::5-fluoro-2'-deoxyuridine::CHEMBL917::FLOXURIDINE::FUDR::Fluoruridine Deoxyribose

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

InChI Key: InChIKey=ODKNJVUHOIMIIZ-RRKCRQDMSA-N

Data: 15 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50340678   
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
Sodium/nucleoside cotransporter 2


(Homo sapiens)
BDBM50340678
PNG
(1-(beta-D-2-deoxy-erythro-pentofuranosyl)-5-fluoro...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CNT2 expressed in COS7 cells assessed as reduction in sodium-dependent [14C]-inosine uptake in presence of Na+ by liquid scintill...


ACS Med Chem Lett 6: 244-8 (2015)

More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50340678
PNG
(1-(beta-D-2-deoxy-erythro-pentofuranosyl)-5-fluoro...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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PubMed
n/an/a 7.90n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Thymidylate synthase inhibition in L1210 mouse leukemia cells after 2 h treatment


J Med Chem 44: 4475-80 (2001)

More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50340678
PNG
(1-(beta-D-2-deoxy-erythro-pentofuranosyl)-5-fluoro...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



University of Thessaly

Curated by ChEMBL


Assay Description
Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 4 h...


Eur J Med Chem 46: 993-1005 (2011)

More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50340678
PNG
(1-(beta-D-2-deoxy-erythro-pentofuranosyl)-5-fluoro...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



University of Thessaly

Curated by ChEMBL


Assay Description
Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 24 ...


Eur J Med Chem 46: 993-1005 (2011)

More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50340678
PNG
(1-(beta-D-2-deoxy-erythro-pentofuranosyl)-5-fluoro...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



University of Thessaly

Curated by ChEMBL


Assay Description
Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxycytidine after preincubation for 15...


Eur J Med Chem 46: 993-1005 (2011)

More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50340678
PNG
(1-(beta-D-2-deoxy-erythro-pentofuranosyl)-5-fluoro...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



University of Thessaly

Curated by ChEMBL


Assay Description
Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxycytidine after preincubation for 4 ...


Eur J Med Chem 46: 993-1005 (2011)

More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50340678
PNG
(1-(beta-D-2-deoxy-erythro-pentofuranosyl)-5-fluoro...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



University of Thessaly

Curated by ChEMBL


Assay Description
Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxycytidine after preincubation for 24...


Eur J Med Chem 46: 993-1005 (2011)

More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50340678
PNG
(1-(beta-D-2-deoxy-erythro-pentofuranosyl)-5-fluoro...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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n/an/a 43n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of cellular thymidylate synthase activity of murine leukemia cell line (L1210) in intact cells.


J Med Chem 39: 4569-75 (1996)

More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50340678
PNG
(1-(beta-D-2-deoxy-erythro-pentofuranosyl)-5-fluoro...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of cellular thymidylate synthase activity of mouse fibroblast (L929 TK-) in permeabilised cells.


J Med Chem 39: 4569-75 (1996)

More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50340678
PNG
(1-(beta-D-2-deoxy-erythro-pentofuranosyl)-5-fluoro...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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n/an/a 5.90E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of cellular thymidylate synthase activity of murine leukemia cell line (L1210) in permeabilised cells.


J Med Chem 39: 4569-75 (1996)

More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50340678
PNG
(1-(beta-D-2-deoxy-erythro-pentofuranosyl)-5-fluoro...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of cellular thymidylate synthase activity of mouse fibroblast (L929 TK-) in intact cells.


J Med Chem 39: 4569-75 (1996)

More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50340678
PNG
(1-(beta-D-2-deoxy-erythro-pentofuranosyl)-5-fluoro...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Thymidylate synthase inhibition in thymidine kinase deficient /TK cells after 2 h treatment


J Med Chem 44: 4475-80 (2001)

More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50340678
PNG
(1-(beta-D-2-deoxy-erythro-pentofuranosyl)-5-fluoro...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Thymidylate synthase inhibition in wild type LM cells after 2 h treatment


J Med Chem 44: 4475-80 (2001)

More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50340678
PNG
(1-(beta-D-2-deoxy-erythro-pentofuranosyl)-5-fluoro...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Thymidylate synthase inhibition in thymidine kinase deficient LM cells after 2 h treatment


J Med Chem 44: 4475-80 (2001)

More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50340678
PNG
(1-(beta-D-2-deoxy-erythro-pentofuranosyl)-5-fluoro...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



University of Thessaly

Curated by ChEMBL


Assay Description
Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 15 ...


Eur J Med Chem 46: 993-1005 (2011)

More data for this
Ligand-Target Pair