BDBM18794 (2S)-2-{[4-({2-amino-5-methyl-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-6-yl}sulfanyl)phenyl]formamido}pentanedioic acid::pyrrolo[2,3-d]pyrimidine scaffold, 4

SMILES Cc1c(Sc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)[nH]c2nc(N)[nH]c(=O)c12

InChI Key InChIKey=DGRMTNYOVDPDTP-UHFFFAOYSA-N

Data  6 IC50  1 EC50

  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 6 hits for monomerid = 18794   

TargetDihydrofolate reductase(Human)
Duquesne University

LigandPNGBDBM18794((2S)-2-{[4-({2-amino-5-methyl-4-oxo-3H,4H,7H-pyrro...)
Affinity DataIC50: 2.40E+5nM EC50: >2.00E+4nMpH: 7.4 T: 2°CAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2007
Entry Details Article
PubMed
TargetDihydrofolate reductase(Escherichia coli (strain K12))
Duquesne University

LigandPNGBDBM18794((2S)-2-{[4-({2-amino-5-methyl-4-oxo-3H,4H,7H-pyrro...)
Affinity DataIC50: 2.40E+5nMpH: 7.4 T: 2°CAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2007
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

LigandPNGBDBM18794((2S)-2-{[4-({2-amino-5-methyl-4-oxo-3H,4H,7H-pyrro...)
Affinity DataIC50: 2.20E+3nMpH: 7.4 T: 2°CAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2007
Entry Details Article
PubMed
TargetThymidylate synthase(Escherichia coli (strain K12))
Duquesne University

LigandPNGBDBM18794((2S)-2-{[4-({2-amino-5-methyl-4-oxo-3H,4H,7H-pyrro...)
Affinity DataIC50: 1.80E+5nMAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2007
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
Duquesne University

LigandPNGBDBM18794((2S)-2-{[4-({2-amino-5-methyl-4-oxo-3H,4H,7H-pyrro...)
Affinity DataIC50: 1.00E+5nMAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2007
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

LigandPNGBDBM18794((2S)-2-{[4-({2-amino-5-methyl-4-oxo-3H,4H,7H-pyrro...)
Affinity DataIC50: 3.60E+3nMAssay Description:DHFRs were assayed spectrophotometrically in the reaction buffer solution containing dihydrofolate. The reaction was initiated with an amount of enzy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2007
Entry Details Article
PubMed