BDBM50006689 (S)-2-(2-fluoro-4-(((2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)(prop-2-ynyl)amino)benzamido)pentanedioic acid::2-{2-Fluoro-4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid::2-{2-Fluoro-4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ;hydrate::2-{2-Fluoro-4-[(4-hydroxy-2-methyl-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid::CHEMBL169981

SMILES Cc1nc2ccc(CN(CC#C)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1

InChI Key InChIKey=ZALTVGFCLRNRRP-UHFFFAOYSA-N

Data  1 KI  4 IC50

  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 5 hits for monomerid = 50006689   

TargetThymidylate synthase(Mus musculus)
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50006689((S)-2-(2-fluoro-4-(((2-methyl-4-oxo-3,4-dihydroqui...)
Affinity DataKi:  10nMAssay Description:Inhibition of thymidylate synthase, partially purified from L1210 mouse leukemia cells overexpressing TSMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Mus musculus)
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50006689((S)-2-(2-fluoro-4-(((2-methyl-4-oxo-3,4-dihydroqui...)
Affinity DataIC50:  20nMAssay Description:Concentration of the compound required to inhibit 50% activity of Thymidylate synthase was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Meerut Institute Of Engineering And Technology

Curated by ChEMBL
LigandPNGBDBM50006689((S)-2-(2-fluoro-4-(((2-methyl-4-oxo-3,4-dihydroqui...)
Affinity DataIC50:  20nMAssay Description:Inhibition of thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Mus musculus)
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50006689((S)-2-(2-fluoro-4-(((2-methyl-4-oxo-3,4-dihydroqui...)
Affinity DataIC50:  20nMAssay Description:Inhibition of thymidylate synthase from L1210 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Mus musculus)
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50006689((S)-2-(2-fluoro-4-(((2-methyl-4-oxo-3,4-dihydroqui...)
Affinity DataIC50:  20nMAssay Description:Inhibition of partially purified thymidylate synthase (TS)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed