BDBM50005860 2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-4-(ethoxy-hydroxy-phosphoryl)-butyric acid::CHEMBL41459

SMILES CCOP(O)(=O)CCC(NC(=O)c1ccc(NCC2CNc3nc(N)[nH]c(=O)c3C2)cc1)C(O)=O

InChI Key InChIKey=GPUSXKHIVFTONZ-UHFFFAOYSA-N

Data  1 KI  2 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 3 hits for monomerid = 50005860   

TargetDihydrofolate reductase(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50005860(CHEMBL41459 | 2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hex...)
Affinity DataIC50: 9.50E+5nMAssay Description:In vitro inhibition of human dihydrofolate reductase (DHFR)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/24/2012
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50005860(CHEMBL41459 | 2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hex...)
Affinity DataIC50: 5.00E+6nMAssay Description:In vitro inhibition of human thymidylate synthase (TS)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/24/2012
Entry Details Article
PubMed
TargetFolylpolyglutamate synthase, mitochondrial(Mouse)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50005860(CHEMBL41459 | 2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hex...)
Affinity DataKi:  1.15E+5nMAssay Description:In vitro inhibition of mouse liver Folyl-polyglutamate synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/24/2012
Entry Details Article
PubMed