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

SMILES [#6]-[#6@H](-[#7](-[#6])-[#6])-[#6]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]

InChI Key InChIKey=SYWAOYCXRQDRLP-ULERWODGSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50242345   

TargetAcetylcholinesterase(Electric eel)
Tribhuvan University

Curated by ChEMBL
LigandPNGBDBM50242345(CHEMBL460447 | [(20S)-20-(N,N-dimethylamino)-3 bet...)
Affinity DataIC50:  4.69E+4nMAssay Description:Inhibition of electric eel AChE by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetAcetylcholinesterase(Human)
University of Innsbruck

Curated by ChEMBL
LigandPNGBDBM50242345(CHEMBL460447 | [(20S)-20-(N,N-dimethylamino)-3 bet...)
Affinity DataIC50:  5.25E+3nMAssay Description:Compound was tested for the in silico inhibition of acetylcholinesteraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCholinesterase(Horse)
Tribhuvan University

Curated by ChEMBL
LigandPNGBDBM50242345(CHEMBL460447 | [(20S)-20-(N,N-dimethylamino)-3 bet...)
Affinity DataIC50:  1.00E+4nMAssay Description:Inhibition of horse BChEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed