BDBM50038096 (6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-6-((E)-(4S,6S)-4,6-dimethyl-oct-2-enoyloxy)-4,7-dihydroxy-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid::(R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-6-((E)-(4S,6S)-4,6-dimethyl-oct-2-enoyloxy)-4,7-dihydrxxy-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid::7-[3,5-dimethyl-(E,3S,5S)-1-heptenylcarbonyloxy]-2,6-dihydroxy-5-{3-[2-methyl-1-methylcarbonyloxy-3-phenyl-(1S,2R)-propyl]-3-butenyl}-(6R,7R)-4,8-dioxabicyclo[3.2.1]octane-1,2,3-tricarboxylic acid::CHEMBL40991::L-694599

SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O

InChI Key InChIKey=DFKDOZMCHOGOBR-NNXRNCACSA-N

Data  3 KI  4 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 7 hits for monomerid = 50038096   

TargetSqualene synthase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50038096((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...)
Affinity DataKi:  0.0780nMAssay Description:Competitive inhibitory activity of the compound was evaluated against squalene synthase in rat liver.More data for this Ligand-Target Pair
In DepthDetails Article
TargetSqualene synthase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50038096((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...)
Affinity DataKi:  0.0780nMAssay Description:Inhibitory activity against squalene synthase in rat liver squalene synthase (RLSS) enzyme assayMore data for this Ligand-Target Pair
In DepthDetails Article
TargetSqualene synthase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50038096((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...)
Affinity DataKi:  0.0780nMAssay Description:Compound was tested for inhibition of squalene synthase in rat liver.More data for this Ligand-Target Pair
In DepthDetails Article
TargetSqualene synthase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50038096((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...)
Affinity DataIC50:  0.240nMAssay Description:Inhibitory activity against HepG2 Squalene Synthase (SQS)More data for this Ligand-Target Pair
In DepthDetails Article
TargetSqualene synthase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50038096((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...)
Affinity DataIC50:  0.290nMAssay Description:In vitro inhibitory activity against rat squalene synthaseMore data for this Ligand-Target Pair
In DepthDetails Article
TargetSqualene synthase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50038096((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...)
Affinity DataIC50:  12nMAssay Description:Compound was tested for inhibition of squalene synthase from rat liver microsomes using [3H]-Farnesyl pyrophosphate (FPP) as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSqualene synthase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50038096((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...)
Affinity DataIC50:  0.230nMAssay Description:Tested for inhibition against squalene synthase enzyme in rat liverMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed