BDBM50035398 (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidinium::(S)-3-methyl-5-(1-methylpyrrolidin-2-yl)isoxazole::3-Methyl-5-((S)-1-methyl-pyrrolidin-2-yl)-isoxazole::ABT-418::CHEMBL274525

SMILES CN1CCC[C@H]1c1cc(C)no1

InChI Key InChIKey=ILLGYRJAYAAAEW-QMMMGPOBSA-N

Data  53 KI  3 IC50  11 EC50

  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 4 hits for monomerid = 50035398   

TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50035398((S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidin...)
Affinity DataEC50:  1.06E+4nMAssay Description:Tested for functional activity against neuronal nicotinic acetylcholine receptor(nAChR) expressed in K177 cells using isotopic rubidium efflux assay.More data for this Ligand-Target Pair
In DepthDetails Article
TargetAcetylcholine receptor subunit alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50035398((S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidin...)
Affinity DataEC50:  4.11E+5nMAssay Description:Tested for functional activity against alpha1 neuronal nicotinic acetylcholine receptor(nAChR) expressed in TE671 cells using isotopic rubidium efflu...More data for this Ligand-Target Pair
In DepthDetails Article
LigandPNGBDBM50035398((S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidin...)
Affinity DataIC50:  4.40E+4nMAssay Description:Inhibitory concentration required for in vitro binding affinity to cholinergic central muscarinic receptor on rat brain cortex by using [3H]OXO-MMore data for this Ligand-Target Pair
In DepthDetails Article
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50035398((S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidin...)
Affinity DataIC50:  62nMAssay Description:Inhibitory concentration required for in vitro binding affinity to Nicotinic acetylcholine receptor alpha3-beta2 expressed on cell line sf 9 by using...More data for this Ligand-Target Pair
In DepthDetails Article