BDBM50444517 CHEMBL3099582

SMILES Nc1nc2[nH]c3cccc(Sc4ccc5ccccc5c4)c3c2c(=O)[nH]1

InChI Key InChIKey=KSVRMBKBKVMXGU-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50444517   

TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50444517(CHEMBL3099582)
Affinity DataIC50:  29nMAssay Description:Inhibition of human TS using dUMP and methylene-THF as substrate by kaleidagraph analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50444517(CHEMBL3099582)
Affinity DataIC50:  29nMAssay Description:Inhibition of human TS using dUMP and methylene-THF as substrate by kaleidagraph analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM50444517(CHEMBL3099582)
Affinity DataIC50:  21nMAssay 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 DepthDetails ArticlePubMed