BDBM50242345 CHEMBL460447::[(20S)-20-(N,N-dimethylamino)-3 beta-(senecioylamino)-5 alpha-pregn-16-en-4 beta-yl acetate]

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

InChI Key InChIKey=SYWAOYCXRQDRLP-UHFFFAOYSA-N

Data  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 3 hits for monomerid = 50242345   

TargetAcetylcholinesterase(Human)
University of Innsbruck

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50242345BDBM50242345([(20S)-20-(N,N-dimethylamino)-3 beta-(senecioylami...)
Affinity DataIC50: 5.25E+3nMAssay 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(Horse)
Tribhuvan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50242345BDBM50242345([(20S)-20-(N,N-dimethylamino)-3 beta-(senecioylami...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of horse BChEMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetAcetylcholinesterase(Electric eel)
Tribhuvan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50242345BDBM50242345([(20S)-20-(N,N-dimethylamino)-3 beta-(senecioylami...)
Affinity DataIC50: 4.69E+4nMAssay Description:Inhibition of electric eel AChE by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed