BDBM50128045 ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN-6-YLOXY]-HEXYL-}-METHYL-AMIN::Allyl-{6-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-hexyl}-methyl-amine::CHEMBL445353::N-allyl-6-(3-(4-bromophenyl)benzofuran-6-yloxy)-N-methylhexan-1-aminium

SMILES C[N@@](CCCCCCOc1ccc2c(c1)occ2c3ccc(cc3)Br)CC=C

InChI Key InChIKey=JYNZIOFUHBJABQ-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

  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 = 50128045   

TargetLanosterol synthase(Human)
Albert-Ludwigs-University of Freiburg

Curated by ChEMBL
LigandPNGBDBM50128045(Allyl-{6-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-h...)
Affinity DataIC50: 610nMAssay Description:Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSqualene--hopene cyclase(Alicyclobacillus acidocaldarius)
Albert-Ludwigs-University of Freiburg

Curated by ChEMBL
LigandPNGBDBM50128045(Allyl-{6-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-h...)
Affinity DataIC50: 80nMAssay Description:Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldariusMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLanosterol synthase(Human)
Albert-Ludwigs-University of Freiburg

Curated by ChEMBL
LigandPNGBDBM50128045(Allyl-{6-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-h...)
Affinity DataIC50: 617nMAssay Description:Inhibition of oxidosqualene cyclaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2013
Entry Details Article
PubMed
TargetLanosterol synthase(Human)
Albert-Ludwigs-University of Freiburg

Curated by ChEMBL
LigandPNGBDBM50128045(Allyl-{6-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-h...)
Affinity DataIC50: 617nMAssay Description:Inhibition of oxidosqualene cyclaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMed