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Compile Data Set for Download or QSAR

Found 12 hits of ic50 for drug = Adrucil   
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
Thymidylate synthase


(Mus musculus)
BDBM50340677
PNG
((5-fluorouracil)5-Fluoro-1H-pyrimidine-2,4-dione |...)
Show SMILES Fc1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
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n/an/a 20n/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)


Article DOI: 10.1016/j.ejmech.2011.01.005
BindingDB Entry DOI: 10.7270/Q2X34XS1
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50340677
PNG
((5-fluorouracil)5-Fluoro-1H-pyrimidine-2,4-dione |...)
Show SMILES Fc1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
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n/an/a 60n/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)


Article DOI: 10.1016/j.ejmech.2011.01.005
BindingDB Entry DOI: 10.7270/Q2X34XS1
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50340677
PNG
((5-fluorouracil)5-Fluoro-1H-pyrimidine-2,4-dione |...)
Show SMILES Fc1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
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n/an/a 220n/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)


Article DOI: 10.1016/j.ejmech.2011.01.005
BindingDB Entry DOI: 10.7270/Q2X34XS1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor (EGFR)


(Homo sapiens (Human))
BDBM50340677
PNG
((5-fluorouracil)5-Fluoro-1H-pyrimidine-2,4-dione |...)
Show SMILES Fc1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
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n/an/a 320n/an/an/an/a7.425



Nanjing University



Assay Description
Compounds 1-32 were dissolved in 100% DMSO and diluted to the appropriate concentrations with 25 mM HEPES at pH 7.4. In each well, 10 μL of comp...


J Enzyme Inhib Med Chem 26: 37-45 (2011)


Article DOI: 10.3109/14756361003671060
BindingDB Entry DOI: 10.7270/Q2XW4HPN
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50340677
PNG
((5-fluorouracil)5-Fluoro-1H-pyrimidine-2,4-dione |...)
Show SMILES Fc1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
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n/an/a 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 4 ...


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


Article DOI: 10.1016/j.ejmech.2011.01.005
BindingDB Entry DOI: 10.7270/Q2X34XS1
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50340677
PNG
((5-fluorouracil)5-Fluoro-1H-pyrimidine-2,4-dione |...)
Show SMILES Fc1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
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n/an/a 7.00E+3n/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)


Article DOI: 10.1016/j.ejmech.2011.01.005
BindingDB Entry DOI: 10.7270/Q2X34XS1
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 1


(Homo sapiens (Human))
BDBM50340677
PNG
((5-fluorouracil)5-Fluoro-1H-pyrimidine-2,4-dione |...)
Show SMILES Fc1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
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PubMed
n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 2


(Homo sapiens (Human))
BDBM50340677
PNG
((5-fluorouracil)5-Fluoro-1H-pyrimidine-2,4-dione |...)
Show SMILES Fc1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50340677
PNG
((5-fluorouracil)5-Fluoro-1H-pyrimidine-2,4-dione |...)
Show SMILES Fc1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 4


(Homo sapiens (Human))
BDBM50340677
PNG
((5-fluorouracil)5-Fluoro-1H-pyrimidine-2,4-dione |...)
Show SMILES Fc1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
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PubMed
n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50340677
PNG
((5-fluorouracil)5-Fluoro-1H-pyrimidine-2,4-dione |...)
Show SMILES Fc1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
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Article
PubMed
n/an/a>1.35E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...


Toxicol Sci 118: 485-500 (2010)


Article DOI: 10.1093/toxsci/kfq269
BindingDB Entry DOI: 10.7270/Q26Q20JN
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50340677
PNG
((5-fluorouracil)5-Fluoro-1H-pyrimidine-2,4-dione |...)
Show SMILES Fc1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
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n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Tested in vitro for serotonin(5-HT) neuronal uptake inhibition


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair