BDBM50123630 (S)-2-{4-[2-(2-Amino-4-ethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-pentanedioic acid::CHEMBL157434

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

InChI Key InChIKey=HAHWOBDKTAQBFE-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50123630   

TargetDihydrofolate reductase(Escherichia coli)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50123630((S)-2-{4-[2-(2-Amino-4-ethyl-7H-pyrrolo[2,3-d]pyri...)
Affinity DataIC50: 920nMAssay 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
LigandPNGBDBM50123630((S)-2-{4-[2-(2-Amino-4-ethyl-7H-pyrrolo[2,3-d]pyri...)
Affinity DataIC50: 920nMAssay 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
TargetThymidylate synthase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50123630((S)-2-{4-[2-(2-Amino-4-ethyl-7H-pyrrolo[2,3-d]pyri...)
Affinity DataIC50: 8.00E+4nMAssay 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
LigandPNGBDBM50123630((S)-2-{4-[2-(2-Amino-4-ethyl-7H-pyrrolo[2,3-d]pyri...)
Affinity DataIC50: 8.00E+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