BDBM50208574 (R)-3-((2-benzyl-6-((3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl)pyridin-3-yl)ethynyl)quinuclidin-3-ol::(R)-3-(2-(2-benzyl-6-((3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl)pyridin-3-yl)ethynyl)quinuclidin-3-ol::CHEMBL258717

SMILES CO[C@H]1CN(C[C@H]1O)c2ccc(c(n2)Cc3ccccc3)C#C[C@]4(CN5CCC4CC5)O

InChI Key InChIKey=NDEOTZXSBKCQLS-UHFFFAOYSA-N

Data  2 IC50

PDB links: 2 PDB IDs match 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 2 hits for monomerid = 50208574   

TargetSqualene synthase(Leishmania major)
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50208574((R)-3-(2-(2-benzyl-6-((3R,4S)-3-hydroxy-4-methoxyp...)
Affinity DataIC50: 13nMAssay Description:Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetSqualene synthase(Human)
Instituto De Parasitolog£A Y Biomedicina&Quot;L£Pez-Neyra

Curated by ChEMBL
LigandPNGBDBM50208574((R)-3-(2-(2-benzyl-6-((3R,4S)-3-hydroxy-4-methoxyp...)
Affinity DataIC50: 1.5nMAssay Description:Inhibition of human recombinant squalene synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)