BDBM50004108 (+-)-nicotine::(R,S)-nicotine::(RS)-nicotine::3-(1-methylpyrrolidin-2-yl)pyridine::CHEMBL440464::Nicotin::Nicotine-(+)::Nikotin::US11667638, Example Nicotine::US8609708, 54 Nicotine::US9284322, Nicotine::US9993465, Nicotine::nicotine

SMILES C[N@@]1CCC[C@H]1c2cccnc2

InChI Key InChIKey=SNICXCGAKADSCV-UHFFFAOYSA-N

Data  83 KI  3 IC50

  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 86 hits for monomerid = 50004108   

TargetCytochrome P450 3A4(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataIC50: 1.42E+5nMAssay Description:To gain insight into the selectivity of the synthetic compounds, nicotine, nicotine related alkaloids and nicotine metabolites for inhibition of othe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2014
Entry Details
Go to US Patent

TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataIC50: 2.63E+4nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2014
Entry Details
Go to US Patent

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Tcg Lifesciences

Curated by ChEMBL
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataIC50: 2.45E+5nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  0.840nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2012
Entry Details Article
PubMed
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  0.840nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/17/2012
Entry Details Article
PubMed
TargetNicotinic acetylcholine receptor(Cape York rat)
National Institute On Drug Abuse

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  0.960nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/17/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Human)
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  1nMAssay Description:Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in human K177 cell membrane incubated for 75 mins by liquid scintillation spectro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetNicotinic acetylcholine receptor(Cape York rat)
National Institute On Drug Abuse

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4(Human)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
In Depth
Date in BDB:
2/24/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rat)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  1nMAssay Description:Inhibition of [3H]MLA binding to alpha4-beta2 nicotinic acetylcholine receptor of rat brain membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNicotinic acetylcholine receptor(Cape York rat)
National Institute On Drug Abuse

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
In Depth
Date in BDB:
2/24/2012
Entry Details Article
PubMed
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
In Depth
Date in BDB:
3/2/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4(Human)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  1.05nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2012
Entry Details
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rat)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  1.26nMAssay Description:Inhibition of [3H]-nicotine binding at the nicotinic acetylcholine receptor alpha4-beta2More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2013
Entry Details Article
PubMed
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  1.5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2012
Entry Details Article
PubMed
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  1.5nM ΔG°:  -12.0kcal/molepH: 7.4 T: 2°CAssay Description:Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4° C.) ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2017
Entry Details
Go to US Patent

TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rat)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  2nMAssay Description:Inhibition of [3H](-)-nicotine binding to rat brain (minus cerebellum) Nicotinic acetylcholine receptor alpha4-beta2More 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)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
In Depth
Date in BDB:
5/29/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-2(Rat)
The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  3.60nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2012
Entry Details Article
PubMed
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
In Depth
Date in BDB:
6/12/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4(Human)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  4.60nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/25/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4(Human)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  4.90nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2012
Entry Details
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Human)
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  5nMAssay Description:Binding affinity to human alpha3beta4 nAChRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetNicotinic acetylcholine receptor(Cape York rat)
National Institute On Drug Abuse

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  5.30nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2012
Entry Details Article
PubMed
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  6nMAssay Description:Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2012
Entry Details Article
PubMed
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
In Depth
Date in BDB:
6/12/2012
Entry Details Article
PubMed
TargetNicotinic acetylcholine receptor(Cape York rat)
National Institute On Drug Abuse

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  7.22nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4(Human)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  7.70nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2012
Entry Details
PubMed
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  8.30nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Human)
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  8.60nMAssay Description:The binding of a group of compounds mentioned above were tested for their affinity at different nAChR subtypes, specifically the α4β2, the ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2023
Entry Details
Go to US Patent

TargetNicotinic acetylcholine receptor(Cape York rat)
National Institute On Drug Abuse

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  8.90nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2011
Entry Details
PubMed
TargetNicotinic acetylcholine receptor(Cape York rat)
National Institute On Drug Abuse

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  9.40nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/23/2011
Entry Details
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Human)
University of Auckland

Curated by ChEMBL
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  10nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/5/2020
Entry Details
Go to US Patent

LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  10nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2012
Entry Details Article
PubMed
TargetNicotinic acetylcholine receptor(Cape York rat)
National Institute On Drug Abuse

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  10nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/17/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-2/beta-2(Human)
Georgetown University

US Patent
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  12nMAssay Description:Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.H...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/5/2020
Entry Details
Go to US Patent

TargetNicotinic acetylcholine receptor(Cape York rat)
National Institute On Drug Abuse

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  12nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-2(Rat)
The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  12nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-3(Human)
Sanofi-Synthelabo Research

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  14nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/25/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-6(Chicken)
University of Milan

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  20nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/26/2012
Entry Details Article
PubMed
TargetNicotinic acetylcholine receptor(Cape York rat)
National Institute On Drug Abuse

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  22nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2012
Entry Details
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4(Human)
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  26.3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2012
Entry Details
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rat)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  35nMAssay Description:Inhibition of [3H]epibatidine binding to rat Nicotinic acetylcholine receptor alpha4-beta2More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2020
Entry Details Article
PubMed
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  40nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-3(Rat)
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  47nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-2(Rat)
Georgetown University

US Patent
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  47nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/5/2020
Entry Details
Go to US Patent

TargetNicotinic acetylcholine receptor(Cape York rat)
National Institute On Drug Abuse

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  55.2nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/23/2011
Entry Details
PubMed
TargetNicotinic acetylcholine receptor(Cape York rat)
National Institute On Drug Abuse

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  55.3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/23/2011
Entry Details
PubMed
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  74nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2012
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-2(Rat)
The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database
LigandPNGBDBM50004108((R,S)-nicotine | (RS)-nicotine | nicotine | (+-)-n...)
Affinity DataKi:  83nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2012
Entry Details Article
PubMed
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