BDBM50128050 CHEMBL114259::CHEMBL416694::N-allyl-6-(4-(4-bromobenzoyl)phenoxy)-N-methylhexan-1-aminium::{4-[6-(Allyl-methyl-amino)-hexyloxy]-phenyl}-(4-bromo-phenyl)-methanone

SMILES CN(CCCCCCOc1ccc(cc1)C(=O)c1ccc(Br)cc1)CC=C

InChI Key InChIKey=RNTIMLQORXMWOI-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50128050   

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

Curated by ChEMBL
LigandPNGBDBM50128050(CHEMBL114259 | CHEMBL416694 | N-allyl-6-(4-(4-brom...)
Affinity DataIC50:  96nMAssay Description:Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldariusMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol synthase(Homo sapiens (Human))
Albert-Ludwigs-University Of Freiburg

Curated by ChEMBL
LigandPNGBDBM50128050(CHEMBL114259 | CHEMBL416694 | N-allyl-6-(4-(4-brom...)
Affinity DataIC50:  5.40nMAssay Description:Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol synthase(Homo sapiens (Human))
Albert-Ludwigs-University Of Freiburg

Curated by ChEMBL
LigandPNGBDBM50128050(CHEMBL114259 | CHEMBL416694 | N-allyl-6-(4-(4-brom...)
Affinity DataIC50:  5.37nMAssay Description:Inhibition of oxidosqualene cyclaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol synthase(Homo sapiens (Human))
Albert-Ludwigs-University Of Freiburg

Curated by ChEMBL
LigandPNGBDBM50128050(CHEMBL114259 | CHEMBL416694 | N-allyl-6-(4-(4-brom...)
Affinity DataIC50:  5.40nMAssay Description:Inhibition of oxidosqualene cyclaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol synthase(Homo sapiens (Human))
Albert-Ludwigs-University Of Freiburg

Curated by ChEMBL
LigandPNGBDBM50128050(CHEMBL114259 | CHEMBL416694 | N-allyl-6-(4-(4-brom...)
Affinity DataIC50:  5.40nMAssay Description:In vitro inhibition of human 2,3-oxidosqualene cyclase.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed