BDBM18807 2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one::CHEMBL400364::Pyrrolo[2,3-d]pyrimidine analogue, 2

SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)[N+]([O-])=O

InChI Key InChIKey=IXCJWBJTGZAHRW-UHFFFAOYSA-N

Data  15 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 15 hits for monomerid = 18807   

TargetDihydrofolate reductase(Homo sapiens (Human))
Duquesne University

LigandPNGBDBM18807(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
Affinity DataIC50: >5.40E+4nMAssay 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(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM18807(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
Affinity DataIC50:  150nMAssay Description:Inhibition of human thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM18807(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
Affinity DataIC50:  130nMpH: 7.4 T: 2°CAssay 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(Escherichia coli)
Duquesne University

LigandPNGBDBM18807(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
Affinity DataIC50:  4.50E+4nMpH: 7.4 T: 2°CAssay 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(Escherichia coli)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM18807(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
Affinity DataIC50:  1.30E+4nMAssay Description:Inhibition of Escherichia coli thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM18807(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
Affinity DataIC50:  5.10E+3nMAssay Description:The inhibitory concentration of compound was evaluated on Lactobacillus casei Thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM18807(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
Affinity DataIC50:  1.50E+4nMAssay Description:The inhibitory concentration of compound was evaluated on Streptococcus faecium Thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM18807(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
Affinity DataIC50:  150nMAssay Description:The inhibitory concentration of compound was evaluated on Human Thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM18807(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
Affinity DataIC50:  2.00E+3nMAssay Description:The inhibitory concentration of compound was evaluated on Pneumocystis carini Thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM18807(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
Affinity DataIC50: >1.50E+4nMAssay Description:The inhibitory concentration of compound against Dihydrofolate reductases on Pneumocystis cariniMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM18807(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
Affinity DataIC50:  1.30E+4nMAssay Description:The inhibitory concentration of compound was evaluated on Escherichia coli Thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM18807(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
Affinity DataIC50:  2.44E+5nMAssay Description:The inhibitory concentration of compound against Dihydrofolate reductases on Toxoplasma gondiiMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Rattus norvegicus (rat))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM18807(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
Affinity DataIC50:  7.47E+6nMAssay Description:The inhibitory concentration of compound against Dihydrofolate reductases on rat liverMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM18807(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
Affinity DataIC50:  150nMAssay Description:Inhibitory concentration against human thymidylate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM18807(2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H...)
Affinity DataIC50:  150nMpH: 7.4 T: 2°CAssay 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