BDBM50089616 4a,12a-Dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxy-phenyl)-4a,6,6a,12,12a,12b-hexahydro-4H,5H-7,10-dioxa-benzo[a]anthracene-1,11-dione::CHEMBL24686::territrem B

SMILES COc1cc(cc(OC)c1OC)-c1cc2O[C@]3(C)CC[C@@]4(O)C(C)(C)C=CC(=O)[C@]4(C)[C@@]3(O)Cc2c(=O)o1

InChI Key InChIKey=PBXNNDFKPQPJBB-VJLHXPKFSA-N

Data  2 KI  5 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50089616   

TargetAcetylcholinesterase(Homo sapiens (Human))
New York Structural Biology Center

Curated by ChEMBL
LigandPNGBDBM50089616(4a,12a-Dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-t...)
Affinity DataKi:  1.70nMAssay Description:Inhibition of human acetylcholinesteraseMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
New York Structural Biology Center

Curated by ChEMBL
LigandPNGBDBM50089616(4a,12a-Dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-t...)
Affinity DataKi:  1.70nM ΔG°:  -12.0kcal/molepH: 7.0 T: 2°CAssay Description:Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...More data for this Ligand-Target Pair
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
National Taiwan University

Curated by ChEMBL
LigandPNGBDBM50089616(4a,12a-Dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-t...)
Affinity DataIC50:  260nMAssay Description:Inhibition of electric eel AChE by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
New York Structural Biology Center

Curated by ChEMBL
LigandPNGBDBM50089616(4a,12a-Dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-t...)
Affinity DataIC50:  6nMAssay Description:Inhibition of AChE-induced amyloid beta aggregationMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Homo sapiens (Human))
New York Structural Biology Center

Curated by ChEMBL
LigandPNGBDBM50089616(4a,12a-Dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-t...)
Affinity DataIC50:  8nMAssay Description:Inhibitory activity against AcetylcholinesteraseMore data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Homo sapiens (Human))
Kitasato University

Curated by ChEMBL
LigandPNGBDBM50089616(4a,12a-Dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-t...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibitory activity of the compound against acyl-CoA:cholesterol acyltransferase (ACAT)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
New York Structural Biology Center

Curated by ChEMBL
LigandPNGBDBM50089616(4a,12a-Dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-t...)
Affinity DataIC50:  7.60nMAssay Description:Inhibition of human AChEMore data for this Ligand-Target Pair