BDBM50056522 6-{[(4-Benzenesulfinyl-3-trifluoromethyl-phenyl)-prop-2-ynyl-amino]-methyl}-2-methyl-3H-quinazolin-4-one::CHEMBL161450

SMILES Cc1nc2ccc(CN(CC#C)c3ccc(c(c3)C(F)(F)F)S(=O)c3ccccc3)cc2c(=O)[nH]1

InChI Key InChIKey=CUPDTZVKFIMRRN-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50056522   

TargetThymidylate synthase(Human)
Agouron Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50056522(6-{[(4-Benzenesulfinyl-3-trifluoromethyl-phenyl)-p...)
Affinity DataKi:  70nMAssay 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
LigandPNGBDBM50056522(6-{[(4-Benzenesulfinyl-3-trifluoromethyl-phenyl)-p...)
Affinity DataKi:  70nMAssay 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
LigandPNGBDBM50056522(6-{[(4-Benzenesulfinyl-3-trifluoromethyl-phenyl)-p...)
Affinity DataKi:  110nMAssay 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