BDBM50022233 4-(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-ethynyl-amino]-benzoylamino}-4-carboxy-butyrylamino)-4-carboxy-butyric acid anion

SMILES Nc1nc2ccc(CN(C#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(=O)NC(CCC([O-])=O)C(O)=O)cc2c(=O)[nH]1

InChI Key InChIKey=CUZJGZKZBQUBIR-UHFFFAOYSA-M

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 = 50022233   

TargetThymidylate synthase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50022233(4-(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)...)
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
TargetThymidylate synthase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50022233(4-(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)...)
Affinity DataIC50: 10nMAssay 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
TargetDihydrofolate reductase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50022233(4-(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)...)
Affinity DataIC50: 4.60E+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
TargetDihydrofolate reductase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50022233(4-(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)...)
Affinity DataIC50: 340nMAssay 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