BDBM50123629 (S)-2-{4-[2-(2-Amino-4-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-pentanedioic acid::CHEMBL154935

SMILES CCc1nc(N)nc2[nH]c(C)c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c12

InChI Key InChIKey=IKBNTIZRQVNJHZ-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 50123629   

TargetThymidylate synthase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50123629((S)-2-{4-[2-(2-Amino-4-ethyl-6-methyl-7H-pyrrolo[2...)
Affinity DataIC50: 9.00E+3nMAssay Description:Compound was evaluated as inhibitor of human thymidylate synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50123629((S)-2-{4-[2-(2-Amino-4-ethyl-6-methyl-7H-pyrrolo[2...)
Affinity DataIC50: 1.80E+4nMAssay Description:Compound was evaluated as inhibitor of Escherichia coli thymidylate synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Escherichia coli)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50123629((S)-2-{4-[2-(2-Amino-4-ethyl-6-methyl-7H-pyrrolo[2...)
Affinity DataIC50: 2.20E+4nMAssay Description:Compound was evaluated as inhibitor of Escherichia coli Dihydrofolate reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50123629((S)-2-{4-[2-(2-Amino-4-ethyl-6-methyl-7H-pyrrolo[2...)
Affinity DataIC50: 2.20E+4nMAssay Description:Compound was evaluated as inhibitor of human Dihydrofolate reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50123629((S)-2-{4-[2-(2-Amino-4-ethyl-6-methyl-7H-pyrrolo[2...)
Affinity DataIC50: 7.00E+4nMAssay Description:Compound was evaluated as inhibitor of Lactobacillus casei Dihydrofolate reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50123629((S)-2-{4-[2-(2-Amino-4-ethyl-6-methyl-7H-pyrrolo[2...)
Affinity DataIC50: 1.00E+5nMAssay Description:Compound was evaluated as inhibitor of Lactobacillus casei thymidylate synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed