BDBM50135157 Acetic acid (1S,6R,7R,10R,11S,12S,15S,16S)-17-((S)-1-dimethylamino-ethyl)-10,13-dimethyl-3-(3-methyl-but-2-enoylamino)-hexadecahydro-cyclopenta[a]phenanthren-4-yl ester::CHEMBL146254

SMILES [#6]-[#6@@H](-[#6@H]1-[#6]-[#6]-[#6@H]2-[#6@@H]-3-[#6]-[#6]-[#6@H]4-[#6@@H](-[#8]-[#6](-[#6])=O)-[#6@H](-[#6]-[#6][C@]4([#6])[#6@H]-3-[#6]-[#6][C@]12[#6])-[#7]-[#6](=O)\[#6]=[#6](/[#6])-[#6])-[#7](-[#6])-[#6]

InChI Key InChIKey=ADCBELUOJDFGFB-UHFFFAOYSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50135157   

TargetAcetylcholinesterase(Pacific electric ray)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50135157(Acetic acid (1S,6R,7R,10R,11S,12S,15S,16S)-17-((S)...)
Affinity DataIC50: 8.50E+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
TargetCholinesterase(Human)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50135157(Acetic acid (1S,6R,7R,10R,11S,12S,15S,16S)-17-((S)...)
Affinity DataIC50: 2.30E+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
TargetCholinesterase(Human)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50135157(Acetic acid (1S,6R,7R,10R,11S,12S,15S,16S)-17-((S)...)
Affinity DataKi:  2.58E+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
LigandPNGBDBM50135157(Acetic acid (1S,6R,7R,10R,11S,12S,15S,16S)-17-((S)...)
Affinity DataKi:  1.76E+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