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-UHFFFAOYSA-N

Data  53 KI  3 IC50  11 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 67 hits for monomerid = 50035398   

TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataEC50:  1.00E+4nMAssay Description:Functional potency for Nicotinic acetylcholine receptor alpha4-beta2 (rat brain)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataEC50:  1.06E+4nMAssay Description:Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor alpha4-beta2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataEC50:  6.40E+4nMAssay Description:Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor subtype IMR-32 (ganglionic)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2012
Entry Details Article
PubMed
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Pacific electric ray)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataEC50:  4.11E+5nMAssay Description:Functional potency for nAChR subtype Alpha1-beta1 delta gamma (torpedo)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataEC50:  2.64E+5nMAssay Description:Functional potency for Nicotinic acetylcholine receptor alpha-7 (rat brain)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
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 Depth
Date in BDB:
8/22/2010
Entry Details Article

LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataEC50:  4.11E+5nMAssay 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 Depth
Date in BDB:
8/22/2010
Entry Details Article

TargetAcetylcholine receptor subunit delta(Pacific electric ray)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataEC50:  4.11E+5nMAssay Description:Compound was evaluated for functional potency and efficacy at human muscle type Nicotinic acetylcholine receptor in TE671 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataEC50:  6.00E+3nMAssay Description:Compound was evaluated for functional potencies and efficacies at rat Nicotinic acetylcholine receptor alpha4-beta2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataEC50:  2.64E+5nMAssay Description:Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor alpha7More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2012
Entry Details Article
PubMed
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
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 Depth
Date in BDB:
8/21/2010
Entry Details Article

LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
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 Depth
Date in BDB:
8/21/2010
Entry Details Article

LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataIC50: 4.70E+4nMAssay Description:In vitro displacement of [3H]oxotremorine-M from muscarinic acetylcholine receptor in rat brain cortexMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Rat)
Swiss Federal Institute of Technology Zurich

Curated by ChEMBL
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataEC50:  2.09E+5nMAssay Description:Effective concentration against alpha3-beta4 Nicotinic acetylcholine receptor (nAChR)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2020
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4(Human)
University of Bath

Curated by PDSP Ki Database
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi:  1.70nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2012
Entry Details
PubMed
TargetNicotinic acetylcholine receptor(Cape York rat)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi:  3nMAssay Description:Binding affinity for Nicotinic acetylcholine receptor alpha4-beta2 by displacement of [3H](-)-cytisine from whole rat brain membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2014
Entry Details Article

TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi:  4nMAssay Description:Displacement of [3H]-cytisine from Alpha4-beta2 Nicotinic acetylcholine receptor of rat brain homogenatesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2020
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi:  7.90nMAssay Description:Binding potency for Nicotinic acetylcholine receptor alpha4-beta2 (rat brain)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi:  20nMAssay Description:Inhibition of [3H]epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi:  20nMAssay Description:Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi:  20nMAssay Description:Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membranes by beta countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2011
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi:  1.20E+3nMAssay Description:Inhibition of [125 I]-alpha Bungarotoxin binding to alpha 7 nicotinic acetylcholine receptor of rat cortex membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi:  1.20E+3nMAssay Description:Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in rat cortical membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi:  1.20E+3nMAssay Description:Displacement of [125I]-alpha-Bungarotoxin from alpha7 nAChR rat cortical membranes by gamma countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2011
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi:  4.05E+3nMAssay Description:Bindind affinity value obtained by measuring the displacement of radioligand [125I]alpha-bungarotoxin from K-28 cells stably express human Nicotinic ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Pacific electric ray)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi: >1.00E+4nMAssay Description:Binding potency for nAChR subtype Alpha-1-beta-1-delta gamma(torpedo)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2012
Entry Details Article
PubMed
TargetSubstance-K receptor(Bovine)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
TargetVIP peptides(Human)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
TargetOuter capsid protein sigma-1(T3D)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
TargetProtein kinase C(Fruit fly)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi: >1.00E+4nMAssay Description:Binding potency for Nicotinic acetylcholine receptor alpha-7 (rat brain)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2012
Entry Details Article
PubMed
TargetApamin(Honeybee)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
TargetBeta-2 adrenergic receptor(Mouse)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
TargetSodium-dependent dopamine transporter(Human)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
TargetD(2) dopamine receptor(Human)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
TargetD(1A) dopamine receptor(Human)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
TargetMuscarinic acetylcholine receptor M1(Mouse)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
TargetChloride channel protein 1(Human)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
TargetType-2 angiotensin II receptor(Human)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Human)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
TargetAdrenergic alpha2 receptor(Golden hamster)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
TargetSolute carrier family 22 member 1(Rat)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
TargetAdenylate cyclase type 9(Human)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
TargetAdenosine receptor A2a(Human)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
TargetAdenosine receptor A1(Human)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
Target5-hydroxytryptamine receptor 3A(Human)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50035398(ABT-418 | (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
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