BDBM50444516 CHEMBL3099580

SMILES c1ccc(cc1)Sc2cccc3c2c4c([nH]3)N=C(NC4=O)N

InChI Key InChIKey=RURPYDOTPJEGPP-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 = 50444516   

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

Curated by ChEMBL
LigandPNGBDBM50444516(CHEMBL3099580)
Affinity DataIC50: 23nMAssay 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
LigandPNGBDBM50444516(CHEMBL3099580)
Affinity DataIC50: 481nMAssay 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
LigandPNGBDBM50444516(CHEMBL3099580)
Affinity DataIC50: 481nMAssay 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