BDBM55861 5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-methyl-1H-indole-3-carboxylic acid octyl ester::5-acetoxy-2-[(amidinothio)methyl]-6-bromo-1-methyl-indole-3-carboxylic acid octyl ester;hydrobromide::5-acetyloxy-6-bromo-2-[(carbamimidoylthio)methyl]-1-methyl-3-indolecarboxylic acid octyl ester;hydrobromide::MLS001029434::SMR000425551::cid_16681981::octyl 5-acetyloxy-6-bromanyl-2-(carbamimidoylsulfanylmethyl)-1-methyl-indole-3-carboxylate;hydrobromide::octyl 5-acetyloxy-6-bromo-2-(carbamimidoylsulfanylmethyl)-1-methylindole-3-carboxylate;hydrobromide

SMILES CCCCCCCCOC(=O)c1c(CSC(N)=N)n(C)c2cc(Br)c(OC(C)=O)cc12

InChI Key InChIKey=VZWKDYHNAFXALD-UHFFFAOYSA-N

Data  7 IC50  1 EC50

  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 1 hit for monomerid = 55861   

TargetSphingomyelin phosphodiesterase(Homo sapiens)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM55861(5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-...)
Affinity DataIC50:  3.16E+4nMAssay Description:Inhibition of acid sphingomyelinase in human HuH7 cell lysate using NBD-sphingomyelin as substrate after 30 mins by TLC based fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed