BDBM50100249 2-{4-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)-amino]-benzoylamino}-pentanedioic acid::CHEMBL61708

SMILES Nc1nc2[nH]cc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1

InChI Key InChIKey=CPXNAWWJUOPIJB-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50100249   

TargetThymidylate synthase(Escherichia coli)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50100249(2-{4-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]...)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibitory activity against Escherichia coli thymidylate synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50100249(2-{4-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]...)
Affinity DataIC50: 5.80E+3nMAssay Description:Inhibitory activity against recombinant Pneumocystis carinii TSMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Escherichia coli)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50100249(2-{4-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]...)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibitory activity against recombinant Escherichia coli dihydrofolate reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50100249(2-{4-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibitory activity against human dihydrofolate reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50100249(2-{4-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]...)
Affinity DataIC50: 4.60E+3nMAssay Description:Inhibitory activity against human thymidylate synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50100249(2-{4-[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]...)
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibitory activity against Toxoplasma gondii dihydrofolate reductaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed