BDBM50024473 2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid (H4-PDDF)::CHEMBL22793

SMILES C#CCN(CC1CCc2nc(N)[nH]c(=O)c2C1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1

InChI Key InChIKey=ZOLYPGWZGDQXCC-UHFFFAOYSA-N

Data  4 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 = 50024473   

TargetDihydrofolate reductase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50024473BDBM50024473(2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazo...)
Affinity DataIC50: 1.00E+4nMAssay Description:Evaluated for the inhibition of dihydrofolate reductase in Lactobacillus caseiMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetThymidylate synthase(Mouse)
TBA

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50024473BDBM50024473(2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazo...)
Affinity DataIC50: 1.10E+4nMAssay Description:Evaluated for the inhibition of thymidylate synthase in permeabilised L1210 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetThymidylate synthase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50024473BDBM50024473(2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazo...)
Affinity DataIC50: 2.30E+4nMAssay Description:Evaluated for the inhibition of thymidylate synthase in Lactobacillus caseiMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetThymidylate synthase(Mouse)
TBA

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50024473BDBM50024473(2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazo...)
Affinity DataIC50: 1.10E+6nMAssay Description:Evaluated for the inhibition of thymidylate synthase in intact L1210 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed