BDBM50444515 CHEMBL3099581

SMILES c1ccc2c(c1)cccc2Sc3cccc4c3c5c([nH]4)N=C(NC5=O)N

InChI Key InChIKey=NSASWBYEPOLHJW-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50444515   

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50444515(CHEMBL3099581)
Affinity DataIC50: 36nMAssay Description:Inhibition of wild type Toxoplasma gondii TS-DHFR expressed in Escherichia coli BL21 using dUMP and methylene-THF as substrate by kaleidagraph analys...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThymidylate synthase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50444515(CHEMBL3099581)
Affinity DataIC50: 3.25E+3nMAssay Description:Inhibition of human TS using dUMP and methylene-THF as substrate by kaleidagraph analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50444515(CHEMBL3099581)
Affinity DataIC50: 3.25E+3nMAssay Description:Inhibition of human TS using dUMP and methylene-THF as substrate by kaleidagraph analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed