BDBM50056524 2-Methyl-6-({prop-2-ynyl-[4-(toluene-2-sulfinyl)-3-trifluoromethyl-phenyl]-amino}-methyl)-3H-quinazolin-4-one::CHEMBL157702

SMILES C#CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(S(=O)c2ccccc2C)c(C(F)(F)F)c1

InChI Key InChIKey=KDQKORHECAGQMU-UHFFFAOYSA-N

Data  3 KI

  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 3 hits for monomerid = 50056524   

TargetThymidylate synthase(Human)
Agouron Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50056524BDBM50056524(2-Methyl-6-({prop-2-ynyl-[4-(toluene-2-sulfinyl)-3...)
Affinity DataKi:  260nMAssay 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 50056524BDBM50056524(2-Methyl-6-({prop-2-ynyl-[4-(toluene-2-sulfinyl)-3...)
Affinity DataKi:  260nMAssay 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 50056524BDBM50056524(2-Methyl-6-({prop-2-ynyl-[4-(toluene-2-sulfinyl)-3...)
Affinity DataKi:  290nMAssay 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