BDBM50128047 (E)-N-allyl-4-(4-(6-bromobenzo[d]isothiazol-3-yl)phenoxy)-N-methylbut-2-en-1-aminium::Allyl-{4-[4-(6-bromo-benzo[d]isothiazol-3-yl)-phenoxy]-but-2-enyl}-methyl-amine::CHEMBL63630::N-allyl-4-(4-(6-bromobenzo[d]isothiazol-3-yl)phenoxy)-N-methylbut-2-en-1-aminium

SMILES CN(CC=C)C\C=C\COc1ccc(cc1)-c1nsc2cc(Br)ccc12

InChI Key InChIKey=INIICDJWFWGRPP-SNAWJCMRSA-N

Data  4 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 4 hits for monomerid = 50128047   

TargetSqualene--hopene cyclase(Alicyclobacillus acidocaldarius)
Albert-Ludwigs-University Of Freiburg

Curated by ChEMBL
LigandPNGBDBM50128047((E)-N-allyl-4-(4-(6-bromobenzo[d]isothiazol-3-yl)p...)
Affinity DataIC50:  130nMAssay Description:Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldariusMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol synthase(Homo sapiens (Human))
Casmedchem Laboratory

Curated by ChEMBL
LigandPNGBDBM50128047((E)-N-allyl-4-(4-(6-bromobenzo[d]isothiazol-3-yl)p...)
Affinity DataIC50:  1.86E+3nMAssay Description:Inhibition of oxidosqualene cyclaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol synthase(Homo sapiens (Human))
Casmedchem Laboratory

Curated by ChEMBL
LigandPNGBDBM50128047((E)-N-allyl-4-(4-(6-bromobenzo[d]isothiazol-3-yl)p...)
Affinity DataIC50:  1.86E+3nMAssay Description:Inhibition of oxidosqualene cyclaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol synthase(Homo sapiens (Human))
Casmedchem Laboratory

Curated by ChEMBL
LigandPNGBDBM50128047((E)-N-allyl-4-(4-(6-bromobenzo[d]isothiazol-3-yl)p...)
Affinity DataIC50:  1.86E+3nMAssay Description:Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed