BDBM50118897 (1-{2-[1-(3-Acetoxy-2,2-dimethyl-propyl)-7-chloro-5-(2,3-dimethoxy-phenyl)-2-oxo-1,2,3,5-tetrahydro-benzo[e][1,4]oxazepin-3-yl]-acetyl}-piperidin-4-yl)-acetic acid::CHEMBL435224

SMILES COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC(O)=O)CC3)C(=O)N(CC(C)(C)COC(C)=O)c3ccc(Cl)cc23)c1OC

InChI Key InChIKey=CMLUGNQVANVZHY-POURPWNDSA-N

Data  3 IC50

  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 3 hits for monomerid = 50118897   

TargetSqualene synthase(Human)
Takeda Chemical Industries

Curated by ChEMBL
LigandPNGBDBM50118897((1-{2-[1-(3-Acetoxy-2,2-dimethyl-propyl)-7-chloro-...)
Affinity DataIC50:  78nMAssay Description:Inhibition of squalene synthase from human hepatoma cells (HepG2)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSqualene synthase(Rat)
University of Athens

Curated by ChEMBL
LigandPNGBDBM50118897((1-{2-[1-(3-Acetoxy-2,2-dimethyl-propyl)-7-chloro-...)
Affinity DataIC50:  78nMAssay Description:Inhibition of SQS in rat liver microsomes assessed as reduction in [3H]FPP conversion to squalene after 45 mins by liquid scintillation counting meth...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSqualene synthase(Human)
Takeda Chemical Industries

Curated by ChEMBL
LigandPNGBDBM50118897((1-{2-[1-(3-Acetoxy-2,2-dimethyl-propyl)-7-chloro-...)
Affinity DataIC50:  213nMAssay 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 DepthDetails ArticlePubMed