BDBM50158536 (S)-2-{4-[3-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl)-propyl]-benzoylamino}-pentanedioic acid::CHEMBL223279::N-{4-[3-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)propyl]-benzoyl}-L-glutamicacid

SMILES Nc1nc(N)c2c(CCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)coc2n1

InChI Key InChIKey=FIVQYIXYOHOMEF-UHFFFAOYSA-N

Data  12 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 12 hits for monomerid = 50158536   

TargetThymidylate synthase(Escherichia coli)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50158536(N-{4-[3-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)prop...)
Affinity DataIC50: 1.80E+5nMpH: 7.4Assay Description:Inhibition of Escherichia coli thymidylate synthetase at 37 degree C pH 7.4More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Escherichia coli)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50158536(N-{4-[3-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)prop...)
Affinity DataIC50: 7.00E+3nMpH: 7.4Assay Description:Inhibition of Escherichia coli dihydrofolate reductase at 37 degree C pH 7.4More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50158536(N-{4-[3-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)prop...)
Affinity DataIC50: 1.00E+4nMpH: 7.4Assay Description:Inhibition of Lactobacillus casei dihydrofolate reductase at 37 degree C pH 7.4More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50158536(N-{4-[3-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)prop...)
Affinity DataIC50: 9.00E+3nMpH: 7.4Assay Description:Inhibition of human dihydrofolate reductase at 37 degree C pH 7.4More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50158536(N-{4-[3-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)prop...)
Affinity DataIC50: 1.80E+4nMpH: 7.4Assay Description:Inhibition of human thymidylate synthetase at 37 degree C pH 7.4More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetThymidylate synthase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50158536(N-{4-[3-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)prop...)
Affinity DataIC50: 1.00E+5nMpH: 7.4Assay Description:Inhibition of Lactobacillus casei thymidylate synthetase at 37 degree C pH 7.4More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetThymidylate synthase(Escherichia coli)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50158536(N-{4-[3-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)prop...)
Affinity DataIC50: 1.80E+5nMAssay Description:Inhibition of Escherichia coli thymidylate synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2012
Entry Details Article
PubMed
TargetThymidylate synthase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50158536(N-{4-[3-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)prop...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of Lactobacillus casei thymidylate synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Lactobacillus casei)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50158536(N-{4-[3-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)prop...)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of Lactobacillus casei DHFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2012
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50158536(N-{4-[3-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)prop...)
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of human recombinant thymidylate synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Escherichia coli)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50158536(N-{4-[3-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)prop...)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of Escherichia coli DHFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50158536(N-{4-[3-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)prop...)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of human recombinant DHFRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2012
Entry Details Article
PubMed