BDBM50008291 2-{4-[(2-Amino-4-oxo-1,4-dihydro-pteridin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid::2-{4-[(2-Amino-4-oxo-3,4-dihydro-pteridin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid::CHEMBL280145

SMILES Nc1nc2ncc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)nc2c(=O)[nH]1

InChI Key InChIKey=SQJGTVKPWANJGI-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50008291   

TargetThymidylate synthase(Lactobacillus casei)
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50008291(2-{4-[(2-Amino-4-oxo-1,4-dihydro-pteridin-6-ylmeth...)
Affinity DataIC50:  3.90E+3nMAssay Description:The compound was tested for its inhibitory activity (IC50) against thymidylate synthase(TS) derived from L. caseiMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Lactobacillus casei)
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM50008291(2-{4-[(2-Amino-4-oxo-1,4-dihydro-pteridin-6-ylmeth...)
Affinity DataIC50:  3.90E+5nMAssay Description:Inhibitory activity against thymidylate synthase derived from Lactobacillus caseiMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50008291(2-{4-[(2-Amino-4-oxo-1,4-dihydro-pteridin-6-ylmeth...)
Affinity DataIC50: >3.00E+6nMAssay Description:Inhibitory activity against thymidylate synthase in the intact L1210 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50008291(2-{4-[(2-Amino-4-oxo-1,4-dihydro-pteridin-6-ylmeth...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibitory activity against dihydrofolate reductase derived from Lactobacillus caseiMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50008291(2-{4-[(2-Amino-4-oxo-1,4-dihydro-pteridin-6-ylmeth...)
Affinity DataIC50:  7.50E+5nMAssay Description:Inhibitory activity against the thymidylate synthase in the Permeabilized L1210 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed