BDBM50016460 (S)-2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid::CHEMBL296373::Edatrexate::GNF-Pf-63::TCMDC-137768

SMILES CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI Key InChIKey=FSIRXIHZBIXHKT-UHFFFAOYSA-N

Data  3 KI  9 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 12 hits for monomerid = 50016460   

TargetDihydrofolate reductase(Lactobacillus casei)
University of South Alabama

Curated by ChEMBL
LigandPNGBDBM50016460(Edatrexate | GNF-Pf-63 | (S)-2-{4-[1-(2,4-Diamino-...)
Affinity DataIC50: 34nMAssay Description:Inhibitory activity against dihydrofolate reductase in Lactobacillus casei was determined (glutamate residue 5)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
University of South Alabama

Curated by ChEMBL
LigandPNGBDBM50016460(Edatrexate | GNF-Pf-63 | (S)-2-{4-[1-(2,4-Diamino-...)
Affinity DataIC50: 4.40nMAssay Description:Compound was tested for its inhibitory activity on Recombinant Human Dihydrofolate Reductase.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
University of South Alabama

Curated by ChEMBL
LigandPNGBDBM50016460(Edatrexate | GNF-Pf-63 | (S)-2-{4-[1-(2,4-Diamino-...)
Affinity DataIC50: 2.60nMAssay Description:Tested in vitro for inhibitory concentration against CCRF-CEM human Leukemic lymphoblast by using DHFR as primary targetMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/27/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Mouse)
Eisai

Curated by ChEMBL
LigandPNGBDBM50016460(Edatrexate | GNF-Pf-63 | (S)-2-{4-[1-(2,4-Diamino-...)
Affinity DataIC50: 11nMAssay Description:Compound was tested for the inhibition of dihydrofolate reductase in P388 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/27/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Lactobacillus casei)
University of South Alabama

Curated by ChEMBL
LigandPNGBDBM50016460(Edatrexate | GNF-Pf-63 | (S)-2-{4-[1-(2,4-Diamino-...)
Affinity DataIC50: 3.80nMAssay Description:Compound was tested for the inhibition of dihydrofolate reductase in Bovine liverMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/27/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Lactobacillus casei)
University of South Alabama

Curated by ChEMBL
LigandPNGBDBM50016460(Edatrexate | GNF-Pf-63 | (S)-2-{4-[1-(2,4-Diamino-...)
Affinity DataIC50: 30nMAssay Description:Inhibitory activity against dihydrofolate reductase in Lactobacillus casei was determined (glutamate residue 4)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Lactobacillus casei)
University of South Alabama

Curated by ChEMBL
LigandPNGBDBM50016460(Edatrexate | GNF-Pf-63 | (S)-2-{4-[1-(2,4-Diamino-...)
Affinity DataIC50: 21nMAssay Description:Inhibitory activity against dihydrofolate reductase in Lactobacillus casei was determined (glutamate residue 2)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Lactobacillus casei)
University of South Alabama

Curated by ChEMBL
LigandPNGBDBM50016460(Edatrexate | GNF-Pf-63 | (S)-2-{4-[1-(2,4-Diamino-...)
Affinity DataIC50: 9nMAssay Description:Inhibitory activity against dihydrofolate reductase in Lactobacillus casei was determined (glutamate residue 3)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Lactobacillus casei)
University of South Alabama

Curated by ChEMBL
LigandPNGBDBM50016460(Edatrexate | GNF-Pf-63 | (S)-2-{4-[1-(2,4-Diamino-...)
Affinity DataIC50: 34nMAssay Description:Inhibitory activity against dihydrofolate reductase in Lactobacillus casei was determined (glutamate residue 5)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Mouse)
Eisai

Curated by ChEMBL
LigandPNGBDBM50016460(Edatrexate | GNF-Pf-63 | (S)-2-{4-[1-(2,4-Diamino-...)
Affinity DataKi:  0.00280nMAssay Description:Concentration inhibiting dihydrofolate reductase derived from L1210 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Mouse)
Eisai

Curated by ChEMBL
LigandPNGBDBM50016460(Edatrexate | GNF-Pf-63 | (S)-2-{4-[1-(2,4-Diamino-...)
Affinity DataKi:  0.00500nMAssay Description:Inhibition of Dihydrofolate reductase (DHFR) enzyme derived from L1210 cells expressed as Ki (pM)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDihydrofolate reductase(Mouse)
Eisai

Curated by ChEMBL
LigandPNGBDBM50016460(Edatrexate | GNF-Pf-63 | (S)-2-{4-[1-(2,4-Diamino-...)
Affinity DataKi:  990nMAssay Description:Inhibitory activity towards Dihydrofolate reductase derived from human manca leukemia cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed