BDBM50135149 Acetic acid (2S,3S,4R,5R,8S,9S,10R,13S,14S,17S)-3-benzoylamino-17-((S)-1-dimethylamino-ethyl)-2-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-4-yl ester::Acetic acid (2S,3S,4R,5R,8S,9S,10R,13S,14S,17S)-3-benzoylamino-17-(1-dimethylamino-ethyl)-2-hydroxy-10-methyl-13-(S)-methyl-hexadecahydro-cyclopenta[a]phenanthren-4-yl ester::CHEMBL413039

SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](OC(C)=O)[C@@H](NC(=O)c5ccccc5)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)N(C)C

InChI Key InChIKey=PUFTXDSOJLKZCI-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 = 50135149   

TargetAcetylcholinesterase(Pacific electric ray)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50135149(Acetic acid (2S,3S,4R,5R,8S,9S,10R,13S,14S,17S)-3-...)
Affinity DataIC50: 2.28E+5nMAssay 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
LigandPNGBDBM50135149(Acetic acid (2S,3S,4R,5R,8S,9S,10R,13S,14S,17S)-3-...)
Affinity DataIC50: 1.80E+4nMAssay 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
LigandPNGBDBM50135149(Acetic acid (2S,3S,4R,5R,8S,9S,10R,13S,14S,17S)-3-...)
Affinity DataIC50: 2.29E+5nMAssay 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
LigandPNGBDBM50135149(Acetic acid (2S,3S,4R,5R,8S,9S,10R,13S,14S,17S)-3-...)
Affinity DataKi:  2.03E+4nMAssay 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
LigandPNGBDBM50135149(Acetic acid (2S,3S,4R,5R,8S,9S,10R,13S,14S,17S)-3-...)
Affinity DataKi:  1.26E+5nMAssay 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