BDBM50135156 Acetic acid (2S,3S,4R,5R,8R,9S,10R,13R,17S)-17-((S)-1-dimethylamino-ethyl)-2-hydroxy-10,13-dimethyl-3-((E)-2-methyl-but-2-enoylamino)-2,3,4,5,6,7,8,9,10,11,12,13,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl ester::CHEMBL343054

SMILES C\C=C(/C)C(=O)N[C@H]1[C@@H](O)C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC=C4[C@@H]3CC[C@H]2[C@H]1OC(C)=O)[C@H](C)N(C)C

InChI Key InChIKey=MRIVWKAJWKKYCM-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 = 50135156   

TargetAcetylcholinesterase(Pacific electric ray)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50135156(Acetic acid (2S,3S,4R,5R,8R,9S,10R,13R,17S)-17-((S...)
Affinity DataIC50: 6.13E+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
LigandPNGBDBM50135156(Acetic acid (2S,3S,4R,5R,8R,9S,10R,13R,17S)-17-((S...)
Affinity DataIC50: 3.84E+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
LigandPNGBDBM50135156(Acetic acid (2S,3S,4R,5R,8R,9S,10R,13R,17S)-17-((S...)
Affinity DataIC50: 6.17E+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
LigandPNGBDBM50135156(Acetic acid (2S,3S,4R,5R,8R,9S,10R,13R,17S)-17-((S...)
Affinity DataKi:  2.63E+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
LigandPNGBDBM50135156(Acetic acid (2S,3S,4R,5R,8R,9S,10R,13R,17S)-17-((S...)
Affinity DataKi:  1.34E+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