BDBM50005863 2-{4-[(2-Amino-4-oxo-3,4-dihydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-4-sulfo-butyric acid::CHEMBL39175

SMILES Nc1nc2ncc(CNc3ccc(cc3)C(=O)NC(CCS(O)(=O)=O)C(O)=O)cc2c(=O)[nH]1

InChI Key InChIKey=DEZOURQTRLKTPD-UHFFFAOYSA-N

Data  1 KI  2 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 3 hits for monomerid = 50005863   

TargetFolylpolyglutamate synthase, mitochondrial(Mus musculus)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50005863(2-{4-[(2-Amino-4-oxo-3,4-dihydro-pyrido[2,3-d]pyri...)
Affinity DataKi:  5.70E+5nMAssay Description:In vitro inhibition of mouse liver Folyl-polyglutamate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50005863(2-{4-[(2-Amino-4-oxo-3,4-dihydro-pyrido[2,3-d]pyri...)
Affinity DataIC50:  5.50E+4nMAssay Description:In vitro inhibition of human thymidylate synthase (TS)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50005863(2-{4-[(2-Amino-4-oxo-3,4-dihydro-pyrido[2,3-d]pyri...)
Affinity DataIC50:  400nMAssay Description:In vitro inhibition of human dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed