BDBM50350769 CHEMBL1818549

SMILES Cc1nc2sc3cccc(CNc4ccc5C(=O)N(Cc5c4)[C@@H](CCC(O)=O)C(O)=O)c3c2c(=O)[nH]1

InChI Key InChIKey=HWSZZBTVVLTRPO-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50350769   

TargetThymidylate synthase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50350769(CHEMBL1818549)
Affinity DataIC50: 800nMAssay Description:Inhibition of human TS assessed as oxidation of tetrahydrofolate to dihydrofolate after 2 to 12 mins by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetThymidylate synthase(Escherichia coli)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50350769(CHEMBL1818549)
Affinity DataIC50: 850nMAssay Description:Inhibition of Escherichia coli TS assessed as oxidation of tetrahydrofolate to dihydrofolate after 2 to 12 mins by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50350769(CHEMBL1818549)
Affinity DataIC50: 3.70E+3nMAssay Description:Inhibition of Toxoplasma gondii TS assessed as oxidation of tetrahydrofolate to dihydrofolate after 2 to 12 mins by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetDihydrofolate reductase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50350769(CHEMBL1818549)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human DHFR by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50350769(CHEMBL1818549)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of Toxoplasma gondii DHFR by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed