BDBM18245 (2S)-2-{[4-({2,4-diamino-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl}sulfanyl)phenyl]formamido}pentanedioic acid::N-{4-[(2,4-diamino-5-methyl-7H-pyrrolo[2,3-d]-pyrimidin-6-yl)sulfanyl]benzoyl}-L-glutamic acid::Pyrrolo[2, 3-d]pyrimidine analogue, 1a

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

InChI Key InChIKey=LLAPFSUYQVWFDD-NSHDSACASA-N

Data  12 IC50  2 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 12 hits for monomerid = 18245   

TargetDihydrofolate reductase(Homo sapiens (Human))
Duquesne University

LigandPNGBDBM18245((2S)-2-{[4-({2,4-diamino-5-methyl-7H-pyrrolo[2,3-d...)
Affinity DataIC50:  210nM EC50:  190nMpH: 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 DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
Duquesne University

LigandPNGBDBM18245((2S)-2-{[4-({2,4-diamino-5-methyl-7H-pyrrolo[2,3-d...)
Affinity DataIC50:  16nMpH: 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 DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

LigandPNGBDBM18245((2S)-2-{[4-({2,4-diamino-5-methyl-7H-pyrrolo[2,3-d...)
Affinity DataIC50:  170nMpH: 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 DepthDetails ArticlePubMed
TargetThymidylate synthase(Escherichia coli)
Duquesne University

LigandPNGBDBM18245((2S)-2-{[4-({2,4-diamino-5-methyl-7H-pyrrolo[2,3-d...)
Affinity DataIC50: >1.80E+5nMAssay Description:TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

LigandPNGBDBM18245((2S)-2-{[4-({2,4-diamino-5-methyl-7H-pyrrolo[2,3-d...)
Affinity DataIC50:  540nMAssay Description:TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

LigandPNGBDBM18245((2S)-2-{[4-({2,4-diamino-5-methyl-7H-pyrrolo[2,3-d...)
Affinity DataIC50:  540nMpH: 7.4Assay Description:Inhibition of human thymidylate synthase at 30 degC under pH 7.4 by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Escherichia coli)
Duquesne University

LigandPNGBDBM18245((2S)-2-{[4-({2,4-diamino-5-methyl-7H-pyrrolo[2,3-d...)
Affinity DataIC50:  16nMpH: 7.4 T: 2°CAssay Description:Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Duquesne University

LigandPNGBDBM18245((2S)-2-{[4-({2,4-diamino-5-methyl-7H-pyrrolo[2,3-d...)
Affinity DataIC50:  210nM EC50:  190nMAssay Description:Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

LigandPNGBDBM18245((2S)-2-{[4-({2,4-diamino-5-methyl-7H-pyrrolo[2,3-d...)
Affinity DataIC50:  170nMpH: 7.4Assay Description:Inhibition of Toxoplasma gondii DHFR at 30 degC under pH 7.4 by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Duquesne University

LigandPNGBDBM18245((2S)-2-{[4-({2,4-diamino-5-methyl-7H-pyrrolo[2,3-d...)
Affinity DataIC50:  210nMpH: 7.4Assay Description:Inhibition of human DHFR at 30 degC under pH 7.4 by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

LigandPNGBDBM18245((2S)-2-{[4-({2,4-diamino-5-methyl-7H-pyrrolo[2,3-d...)
Affinity DataIC50:  1.80E+3nMpH: 7.4Assay Description:Inhibition of Toxoplasma gondii TS at 30 degC under pH 7.4 by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

LigandPNGBDBM18245((2S)-2-{[4-({2,4-diamino-5-methyl-7H-pyrrolo[2,3-d...)
Affinity DataIC50:  1.80E+3nMAssay Description:TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed