BDBM50056514 6-{[(4-Benzenesulfinyl-3-fluoro-phenyl)-prop-2-ynyl-amino]-methyl}-2-methyl-3H-quinazolin-4-one::CHEMBL161025

SMILES C#CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(S(=O)c2ccccc2)c(F)c1

InChI Key InChIKey=HOPAKVCSWOPJNE-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50056514   

TargetThymidylate synthase(Human)
Agouron Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50056514BDBM50056514(6-{[(4-Benzenesulfinyl-3-fluoro-phenyl)-prop-2-yny...)
Affinity DataKi:  50nMAssay Description:Binding affinity against recombinant human thymidylate synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
Agouron Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50056514BDBM50056514(6-{[(4-Benzenesulfinyl-3-fluoro-phenyl)-prop-2-yny...)
Affinity DataKi:  88nMAssay Description:Binding affinity against recombinant thymidylate synthase in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
Agouron Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50056514BDBM50056514(6-{[(4-Benzenesulfinyl-3-fluoro-phenyl)-prop-2-yny...)
Affinity DataKi:  88nMAssay Description:Binding affinity against recombinant thymidylate synthase in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed