BDBM50022235 4-(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-butyrylamino)-4-carboxy-butyric acid anion::CID44294491::PDDP-G5

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

InChI Key InChIKey=YVHACGQTVJQBQW-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 = 50022235   

TargetThymidylate synthase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50022235(4-(4-{4-[4-(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-...)
Affinity DataIC50:  13nMAssay Description:Inhibitory activity against thymidylate synthase of Lactobacillus caseiMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50022235(4-(4-{4-[4-(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-...)
Affinity DataIC50:  2.90E+3nMAssay Description:Inhibitory activity against dihydrofolate reductase of Lactobacillus caseiMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50022235(4-(4-{4-[4-(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-...)
Affinity DataIC50:  290nMAssay Description:Inhibitory activity against dihydrofolate reductase of Streptococcus faeciumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50022235(4-(4-{4-[4-(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-...)
Affinity DataIC50:  6.30nMAssay Description:Inhibitory activity against thymidylate synthase of Streptococcus faeciumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed