BDBM50051873 (1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-4,7-dihydroxy-6-((S)-6-methyl-4-methyl-oct-2-enoyloxy)-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid::(1S,3S,4S,5R,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::7-[3,5-dimethyl-(E)-1-heptenylcarbonyloxy]-2,6-dihydroxy-5-[3-(2-methyl-1-methylcarbonyloxy-3-phenylpropyl)-3-butenyl]-4,8-dioxabicyclo[3.2.1]octane-1,2,3-tricarboxylic acid::CHEMBL280978::Zaragozic Acids A

SMILES CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)[C@H]([C@H](C)Cc3ccccc3)OC(=O)C)O

InChI Key InChIKey=DFKDOZMCHOGOBR-UHFFFAOYSA-N

Data  10 IC50

PDB links: 2 PDB IDs match this monomer.

  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 10 hits for monomerid = 50051873   

TargetSqualene synthase(Rat)
Glaxo Wellcome Research and Development

Curated by ChEMBL
LigandPNGBDBM50051873((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)
Affinity DataIC50: 12nMAssay Description:In vitro inhibitory activity against Squalene synthase from ratsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSqualene synthase(Rat)
Glaxo Wellcome Research and Development

Curated by ChEMBL
LigandPNGBDBM50051873((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)
Affinity DataIC50: 12nMAssay Description:Inhibitory concentration against mammalian Squalene synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2010
Entry Details Article
PDB3D3D Structure (crystal)
TargetSqualene synthase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50051873((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)
Affinity DataIC50: 5nMAssay Description:Inhibition of Candida albicans squalene synthase(SQS)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article
PDB3D3D Structure (crystal)
TargetSqualene synthase(Rat)
Glaxo Wellcome Research and Development

Curated by ChEMBL
LigandPNGBDBM50051873((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)
Affinity DataIC50: 12nMAssay Description:Inhibition of rat liver squalene synthase(SQS)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article
PDB3D3D Structure (crystal)
TargetSqualene synthase(Rat)
Glaxo Wellcome Research and Development

Curated by ChEMBL
LigandPNGBDBM50051873((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)
Affinity DataIC50: 12nMAssay Description:In vitro inhibitory concentration against squalene synthase from male rat liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2010
Entry Details Article
PDB3D3D Structure (crystal)
TargetSqualene synthase(Rat)
Glaxo Wellcome Research and Development

Curated by ChEMBL
LigandPNGBDBM50051873((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)
Affinity DataIC50: 12nMAssay Description:In vitro inhibition of rat squalene synthaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2010
Entry Details Article
PDB3D3D Structure (crystal)
TargetSqualene synthase(Rat)
Glaxo Wellcome Research and Development

Curated by ChEMBL
LigandPNGBDBM50051873((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)
Affinity DataIC50: 0.5nMAssay Description:Inhibition of rat liver squalene synthase by liqiud scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSqualene synthase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50051873((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)
Affinity DataIC50: 5nMAssay Description:In vitro inhibitory activity of compound was measured against Candida squalene synthase(SQS) enzymeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2012
Entry Details Article
PDB3D3D Structure (crystal)
TargetSqualene synthase(Rat)
Glaxo Wellcome Research and Development

Curated by ChEMBL
LigandPNGBDBM50051873((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)
Affinity DataIC50: 12nMAssay Description:In vitro inhibitory activity measured against rat squalene synthase(SQS) enzymeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2012
Entry Details Article
PDB3D3D Structure (crystal)
LigandPNGBDBM50051873((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)
Affinity DataIC50: 12nMAssay Description:Inhibition of FarnesyltransferaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed