BDBM50135158 (E)-2-Methyl-but-2-enoic acid [(3S,8S,9S,10R,13S,14S,17S)-17-((S)-1-dimethylamino-ethyl)-10,13-dimethyl-4-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-amide::CHEMBL343780

SMILES C\C=C(/C)C(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1=O)[C@H](C)N(C)C

InChI Key InChIKey=HZOTXNIDOKRKQY-UHFFFAOYSA-N

Data  2 KI  3 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 5 hits for monomerid = 50135158   

TargetCholinesterase(Human)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50135158((E)-2-Methyl-but-2-enoic acid [(3S,8S,9S,10R,13S,1...)
Affinity DataIC50: 2.10E+3nMAssay Description:In vitro anticholinesterase activity against butyrylcholinesterase from torpedo californicaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAcetylcholinesterase(Pacific electric ray)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50135158((E)-2-Methyl-but-2-enoic acid [(3S,8S,9S,10R,13S,1...)
Affinity DataIC50: 7.10E+3nMAssay Description:In vitro anticholinesterase activity was determined against acetylcholinesterase from Torpedo californicaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50135158((E)-2-Methyl-but-2-enoic acid [(3S,8S,9S,10R,13S,1...)
Affinity DataIC50: 7.08E+3nMAssay Description:Compound was tested for the in silico inhibition of acetylcholinesteraseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed
TargetCholinesterase(Human)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50135158((E)-2-Methyl-but-2-enoic acid [(3S,8S,9S,10R,13S,1...)
Affinity DataKi:  3.08E+3nMAssay Description:In vitro binding affinity was determined against butyrylcholinesterase from torpedo californicaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAcetylcholinesterase(Pacific electric ray)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50135158((E)-2-Methyl-but-2-enoic acid [(3S,8S,9S,10R,13S,1...)
Affinity DataKi:  5.40E+3nMAssay Description:In vitro binding affinity was determined against acetylcholinesterase from torpedo californicaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed