BDBM50028408 (R)-2-{4-[(2-Amino-4-oxo-1,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid::(R)-2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid::2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid::CHEMBL265510

SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1

InChI Key InChIKey=LTKHPMDRMUCUEB-LJQANCHMSA-N

Data  1 KI  3 IC50

  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 4 hits for monomerid = 50028408   

TargetThymidylate synthase(Mus musculus)
Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50028408((R)-2-{4-[(2-Amino-4-oxo-1,4-dihydro-quinazolin-6-...)
Affinity DataKi:  3nMAssay Description:Tested for binding affinity against thymidylate synthase(TS)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50028408((R)-2-{4-[(2-Amino-4-oxo-1,4-dihydro-quinazolin-6-...)
Affinity DataIC50:  9nMpH: 7.4Assay Description:Inhibition of Lactobacillus casei thymidylate synthetase at 37 degree C pH 7.4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50028408((R)-2-{4-[(2-Amino-4-oxo-1,4-dihydro-quinazolin-6-...)
Affinity DataIC50:  180nMpH: 7.4Assay Description:Inhibition of human thymidylate synthetase at 37 degree C pH 7.4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Escherichia coli)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50028408((R)-2-{4-[(2-Amino-4-oxo-1,4-dihydro-quinazolin-6-...)
Affinity DataIC50:  90nMpH: 7.4Assay Description:Inhibition of Escherichia coli thymidylate synthetase at 37 degree C pH 7.4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed