BDBM50128065 CHEMBL304858::CHEMBL324162::N-allyl-6-(4-(4-bromobenzoyl)-3-fluorophenoxy)-N-methylhexan-1-aminium::[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE::{4-[6-(Allyl-methyl-amino)-hexyloxy]-2-fluoro-phenyl}-(4-bromo-phenyl)-methanone

SMILES CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)CC=C

InChI Key InChIKey=CMYCCJYVZIMDFU-UHFFFAOYSA-N

Data  10 IC50

PDB links: 2 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50128065   

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

Curated by ChEMBL
LigandPNGBDBM50128065(CHEMBL304858 | CHEMBL324162 | N-allyl-6-(4-(4-brom...)
Affinity DataIC50:  60nMAssay Description:Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldariusMore data for this Ligand-Target Pair
TargetLanosterol synthase(Homo sapiens (Human))
Albert-Ludwigs-University Of Freiburg

Curated by ChEMBL
LigandPNGBDBM50128065(CHEMBL304858 | CHEMBL324162 | N-allyl-6-(4-(4-brom...)
Affinity DataIC50:  6.5nMAssay Description:Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver microsomesMore data for this Ligand-Target Pair
TargetLanosterol synthase(Homo sapiens (Human))
Albert-Ludwigs-University Of Freiburg

Curated by ChEMBL
LigandPNGBDBM50128065(CHEMBL304858 | CHEMBL324162 | N-allyl-6-(4-(4-brom...)
Affinity DataIC50:  170nMAssay Description:Inhibition of human OSC expressed in Saccharomyces cerevisiae SMY8More data for this Ligand-Target Pair
TargetLanosterol synthase ERG7(Saccharomyces cerevisiae)
Università

Curated by ChEMBL
LigandPNGBDBM50128065(CHEMBL304858 | CHEMBL324162 | N-allyl-6-(4-(4-brom...)
Affinity DataIC50:  210nMAssay Description:Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol synthase(Homo sapiens (Human))
Albert-Ludwigs-University Of Freiburg

Curated by ChEMBL
LigandPNGBDBM50128065(CHEMBL304858 | CHEMBL324162 | N-allyl-6-(4-(4-brom...)
Affinity DataIC50:  7.5nMAssay Description:Inhibition of human C-terminal His6-tagged OSC expressed in Pichia pastoris GS115 using 2,3-oxidosqualene as substrate after 90 mins by 1H NMR methodMore data for this Ligand-Target Pair
TargetLanosterol synthase(Homo sapiens (Human))
Albert-Ludwigs-University Of Freiburg

Curated by ChEMBL
LigandPNGBDBM50128065(CHEMBL304858 | CHEMBL324162 | N-allyl-6-(4-(4-brom...)
Affinity DataIC50:  6.5nMAssay Description:In vitro inhibition of human 2,3-oxidosqualene cyclase.More data for this Ligand-Target Pair
TargetLanosterol synthase(Homo sapiens (Human))
Albert-Ludwigs-University Of Freiburg

Curated by ChEMBL
LigandPNGBDBM50128065(CHEMBL304858 | CHEMBL324162 | N-allyl-6-(4-(4-brom...)
Affinity DataIC50:  5.70nMAssay Description:Inhibition of human liver microsome 2,3-OSC after 1 hr by Silica gel plate phosphor imagingMore data for this Ligand-Target Pair
TargetLanosterol synthase(Homo sapiens (Human))
Albert-Ludwigs-University Of Freiburg

Curated by ChEMBL
LigandPNGBDBM50128065(CHEMBL304858 | CHEMBL324162 | N-allyl-6-(4-(4-brom...)
Affinity DataIC50:  6.5nMAssay Description:Inhibition of oxidosqualene cyclaseMore data for this Ligand-Target Pair
TargetLanosterol synthase(Homo sapiens (Human))
Albert-Ludwigs-University Of Freiburg

Curated by ChEMBL
LigandPNGBDBM50128065(CHEMBL304858 | CHEMBL324162 | N-allyl-6-(4-(4-brom...)
Affinity DataIC50:  224nMAssay Description:Inhibition of oxidosqualene cyclaseMore data for this Ligand-Target Pair
TargetCycloartenol synthase(Arabidopsis thaliana)
Università

Curated by ChEMBL
LigandPNGBDBM50128065(CHEMBL304858 | CHEMBL324162 | N-allyl-6-(4-(4-brom...)
Affinity DataIC50:  1.75E+3nMAssay Description:Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed