BDBM50004544 2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid::2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid(1.75H2O)::2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid(10-Et-10-DA)::2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid(Edatrexate)::2-{4-[2-(2,4-Diamino-pteridin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::2-{4-[2-(2,4-Diamino-pteridin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid(10-EDAM)::CHEMBL9798

SMILES CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O

InChI Key InChIKey=FSIRXIHZBIXHKT-UHFFFAOYSA-N

Data  2 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 4 hits for monomerid = 50004544   

TargetDihydrofolate reductase(Mouse)
TBA

Curated by ChEMBL
LigandPNGBDBM50004544(2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-...)
Affinity DataKi:  0.00280nMAssay Description:Tested for inhibition of dihydrofolate reductase enzymeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetDihydrofolate reductase(Mouse)
TBA

Curated by ChEMBL
LigandPNGBDBM50004544(2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-...)
Affinity DataKi:  0.100nMAssay Description:Compound was evaluated in vitro for the inhibition of dihydrofolate reductase (DHFR) in L1210 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetDihydrofolate reductase(Chicken)
TBA

Curated by ChEMBL
LigandPNGBDBM50004544(2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-...)
Affinity DataIC50:  20nMAssay Description:Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liverMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetDihydrofolate reductase(Lactobacillus casei)
TBA

Curated by ChEMBL
LigandPNGBDBM50004544(2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-...)
Affinity DataIC50:  22nMAssay Description:Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Lactobacillus casei ATCC 7469More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed