BDBM50135146 (E)-2-Methyl-but-2-enoic acid [(3S,8R,9S,10R,13R,17S)-17-((S)-1-dimethylamino-ethyl)-10,13-dimethyl-4-oxo-2,3,4,7,8,9,10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-amide::CHEMBL137039

SMILES C\C=C(/C)C(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC=C4[C@@H]3CC=C2C1=O)[C@H](C)N(C)C

InChI Key InChIKey=GCHGDPVSONOHQE-PNUJEHDGSA-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 = 50135146   

TargetCholinesterase(Homo sapiens (Human))
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50135146((E)-2-Methyl-but-2-enoic acid [(3S,8R,9S,10R,13R,1...)
Affinity DataKi:  1.60E+3nMAssay Description:In vitro binding affinity was determined against butyrylcholinesterase from torpedo californicaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Tetronarce californica (Pacific electric ray) (Tor...)
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50135146((E)-2-Methyl-but-2-enoic acid [(3S,8R,9S,10R,13R,1...)
Affinity DataKi:  2.65E+3nMAssay Description:In vitro binding affinity was determined against acetylcholinesterase from torpedo californicaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50135146((E)-2-Methyl-but-2-enoic acid [(3S,8R,9S,10R,13R,1...)
Affinity DataIC50:  5.75E+3nMAssay Description:Compound was tested for the in silico inhibition of acetylcholinesteraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Tetronarce californica (Pacific electric ray) (Tor...)
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50135146((E)-2-Methyl-but-2-enoic acid [(3S,8R,9S,10R,13R,1...)
Affinity DataIC50:  5.80E+3nMAssay Description:In vitro anticholinesterase activity was determined against acetylcholinesterase from Torpedo californicaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
University Of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50135146((E)-2-Methyl-but-2-enoic acid [(3S,8R,9S,10R,13R,1...)
Affinity DataIC50:  4.29E+3nMAssay Description:In vitro anticholinesterase activity of the compound was determined against butyrylcholinesterase from torpedo californicaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed