BDBM50022231 4-{4-[4-(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-ethynyl-amino]-benzoylamino}-4-carboxy-butyrylamino)-4-carboxy-butyrylamino]-4-carboxy-butyrylamino}-4-carboxy-butyric acid anion

SMILES C#CN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)[O-])C(=O)O)C(=O)O)C(=O)O)cc1

InChI Key InChIKey=KAYSCGYEDLPRGH-UHFFFAOYSA-M

Data  4 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 4 hits for monomerid = 50022231   

TargetThymidylate synthase(Human)
TBA

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50022231BDBM50022231(4-{4-[4-(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylm...)
Affinity DataIC50: 4.70nMAssay Description:Inhibitory activity against thymidylate synthase of Streptococcus faeciumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/14/2012
Entry Details Article
PubMed
TargetThymidylate synthase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50022231BDBM50022231(4-{4-[4-(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylm...)
Affinity DataIC50: 14nMAssay Description:Inhibitory activity against thymidylate synthase of Lactobacillus caseiMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/14/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
TBA

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50022231BDBM50022231(4-{4-[4-(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylm...)
Affinity DataIC50: 300nMAssay Description:Inhibitory activity against dihydrofolate reductase of Streptococcus faeciumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/14/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50022231BDBM50022231(4-{4-[4-(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylm...)
Affinity DataIC50: 3.70E+3nMAssay Description:Inhibitory activity against dihydrofolate reductase of Lactobacillus caseiMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/14/2012
Entry Details Article
PubMed