BDBM50344968 CHEMBL1777819::[(4S,6R)-8-Chloro-6-(2,3-dimethoxy-phenyl)-1-isopropyl-4H,6H-2,5-dioxa-3-aza-benzo[e]azulen-4-yl]-acetic acid

SMILES COc1cccc([C@@H]2O[C@@H](CC(O)=O)c3noc(C(C)C)c3-c3ccc(Cl)cc23)c1OC

InChI Key InChIKey=WRADIXPKOCXFKO-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 50344968   

TargetSqualene synthase(Human)
Bayer Pharma

Curated by ChEMBL
LigandPNGBDBM50344968([(4S,6R)-8-Chloro-6-(2,3-dimethoxy-phenyl)-1-isopr...)
Affinity DataIC50: 1.42E+3nMAssay Description:Inhibition of recombinant squalene synthase assessed as conversion of trans,trans-[1-3H]farnesyl pyrophosphate to [3H]squalene after 10 mins by liqui...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2011
Entry Details Article
PubMed
TargetSqualene synthase(Human)
Bayer Pharma

Curated by ChEMBL
LigandPNGBDBM50344968([(4S,6R)-8-Chloro-6-(2,3-dimethoxy-phenyl)-1-isopr...)
Affinity DataIC50: 5.50E+3nMAssay Description:Inhibition of recombinant squalene synthase assessed as conversion of trans,trans-[1-3H]farnesyl pyrophosphate to [3H]squalene after 10 mins by liqui...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2011
Entry Details Article
PubMed
TargetSqualene synthase(Human)
Bayer Pharma

Curated by ChEMBL
LigandPNGBDBM50344968([(4S,6R)-8-Chloro-6-(2,3-dimethoxy-phenyl)-1-isopr...)
Affinity DataIC50: 5.50E+3nMAssay Description:Inhibition of recombinant squalene synthase assessed as conversion of trans,trans-[1-3H]farnesyl pyrophosphate to [3H]squalene after 10 mins by liqui...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2011
Entry Details Article
PubMed