BDBM50135159 (20S,2'E)-20-(N,N-dimethylamino)-3beta-(3'-phenyl-2'-propenyl-N-methylamido)pregnane]::(E)-N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-((S)-1-Dimethylamino-ethyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl]-N-methyl-3-phenyl-acrylamide::(E)-N-{(1S,6S,7S,11R,12S,15S,16S)-17-[(S)-1-((S)-Dimethyl-amino)-ethyl]-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl}-N-methyl-3-phenyl-acrylamide::CHEMBL409854

SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C(=O)\C=C\c1ccccc1)N(C)C

InChI Key InChIKey=QRUDUXILSDZJOY-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 = 50135159   

TargetAcetylcholinesterase(Pacific electric ray)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50135159((E)-N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-((S)-1-Dim...)
Affinity DataIC50: 1.99E+4nMAssay 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
TargetCholinesterase(Human)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50135159((E)-N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-((S)-1-Dim...)
Affinity DataIC50: 4.84E+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(Human)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50135159((E)-N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-((S)-1-Dim...)
Affinity DataIC50: 1.95E+4nMAssay 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
LigandPNGBDBM50135159((E)-N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-((S)-1-Dim...)
Affinity DataKi:  6.60E+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
LigandPNGBDBM50135159((E)-N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-((S)-1-Dim...)
Affinity DataKi:  1.22E+4nMAssay 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