BDBM50344972 1-{2-[(4R,6S)-8-Chloro-6-(2,3-dimethoxy-phenyl)-1-isopropyl-4H,6H-2,5-dioxa-3-aza-benzo[e]azulen-4-yl]-acetyl}-piperidine-4-carboxylic acid::CHEMBL1778343

SMILES COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC3)C(O)=O)c3noc(C(C)C)c3-c3ccc(Cl)cc23)c1OC

InChI Key InChIKey=HSHHDCPKQVEASM-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50344972   

TargetSqualene synthase(Human)
Bayer Pharma

Curated by ChEMBL
LigandPNGBDBM50344972(1-{2-[(4R,6S)-8-Chloro-6-(2,3-dimethoxy-phenyl)-1-...)
Affinity DataIC50: 112nMAssay 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