BDBM50528952 CHEMBL4567826

SMILES COc1cc(cc(c1)-c1ccc(Cc2c[nH]c3nc(N)[nH]c(=O)c23)cc1)C(O)=O

InChI Key InChIKey=CPEVDWTZEMTIHE-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50528952   

TargetPolyunsaturated fatty acid lipoxygenase ALOX15B(Rat)
Yale University

Curated by ChEMBL
LigandPNGBDBM50528952(CHEMBL4567826)
Affinity DataIC50: 5.20E+4nMAssay Description:Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Cryptosporidium parvum)
Yale University

Curated by ChEMBL
LigandPNGBDBM50528952(CHEMBL4567826)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of recombinant Cryptosporidium hominis TS-DHFR expresssed in Escherichia coli PA414 using dUMP and 5,10-methylenetetrahydrofolate as subst...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed