BDBM50056523 2-Methyl-6-({prop-2-ynyl-[4-(toluene-2-sulfinyl)-phenyl]-amino}-methyl)-3H-quinazolin-4-one::CHEMBL159209

SMILES Cc1nc2ccc(CN(CC#C)c3ccc(cc3)S(=O)c3ccccc3C)cc2c(=O)[nH]1

InChI Key InChIKey=MTMUKLFHGCASKC-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50056523   

TargetThymidylate synthase(Homo sapiens (Human))
Agouron Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50056523(2-Methyl-6-({prop-2-ynyl-[4-(toluene-2-sulfinyl)-p...)
Affinity DataKi:  45nMAssay Description:Binding affinity against recombinant human thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Agouron Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50056523(2-Methyl-6-({prop-2-ynyl-[4-(toluene-2-sulfinyl)-p...)
Affinity DataKi:  45nMAssay Description:Binding affinity against recombinant human thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Agouron Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50056523(2-Methyl-6-({prop-2-ynyl-[4-(toluene-2-sulfinyl)-p...)
Affinity DataKi:  250nMAssay Description:Binding affinity against recombinant thymidylate synthase in E. coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed