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 Nc1nc2ccc(CN(C#C)c3ccc(cc3)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)cc2c(=O)[nH]1

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(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50022231(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 DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50022231(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 DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50022231(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 DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50022231(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 DepthDetails ArticlePubMed