BDBM50056515 6-({[4-(2-Chloro-benzenesulfinyl)-phenyl]-prop-2-ynyl-amino}-methyl)-2-methyl-3H-quinazolin-4-one::CHEMBL161685

SMILES C#CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(S(=O)c2ccccc2Cl)cc1

InChI Key InChIKey=KLLKYTJZILMXAD-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 = 50056515   

TargetThymidylate synthase(Human)
Agouron Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50056515BDBM50056515(6-({[4-(2-Chloro-benzenesulfinyl)-phenyl]-prop-2-y...)
Affinity DataKi:  46nMAssay 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 50056515BDBM50056515(6-({[4-(2-Chloro-benzenesulfinyl)-phenyl]-prop-2-y...)
Affinity DataKi:  46nMAssay 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 50056515BDBM50056515(6-({[4-(2-Chloro-benzenesulfinyl)-phenyl]-prop-2-y...)
Affinity DataKi:  190nMAssay 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