BDBM82070 CAS_29790-52-1::NICOTINE-L (BASE)::Nicotine-D salicylate::US10667515, Compound (S)-nicotine::US9303017, Nicotine

SMILES CN1CCC[C@H]1c1cccnc1

InChI Key InChIKey=SNICXCGAKADSCV-JTQLQIEISA-N

Data  198 KI  45 IC50  9 Kd  71 EC50

PDB links: 20 PDB IDs match this monomer.

  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 17 hits for monomerid = 82070   

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

Curated by ChEMBL
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Affinity DataKi:  10nMAssay Description:Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assayMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Georgetown University

Curated by ChEMBL
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Affinity DataKi:  10nM ΔG°:  -10.1kcal/molepH: 7.4 T: 2°CAssay Description:Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-2/beta-2(Rattus norvegicus (Rat))
Georgetown University

US Patent
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Affinity DataKi:  12nM ΔG°:  -10.0kcal/molepH: 7.4 T: 2°CAssay Description:Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-4(Rattus norvegicus (Rat))
Georgetown University

US Patent
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Affinity DataKi:  40nM ΔG°:  -9.37kcal/molepH: 7.4 T: 2°CAssay Description:Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-2(Rattus norvegicus (Rat))
Georgetown University

US Patent
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Affinity DataKi:  47nM ΔG°:  -9.29kcal/molepH: 7.4 T: 2°CAssay Description:Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-2/beta-4(Rattus norvegicus (Rat))
Georgetown University

US Patent
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Affinity DataKi:  110nM ΔG°:  -8.82kcal/molepH: 7.4 T: 2°CAssay Description:Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Rattus norvegicus (Rat))
Georgetown University

US Patent
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Affinity DataKi:  440nM ΔG°:  -8.06kcal/molepH: 7.4 T: 2°CAssay Description:Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Rattus norvegicus (Rat))
Georgetown University

US Patent
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Affinity DataKi:  440nMAssay Description:Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK293 cells after 4 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Georgetown University

US Patent
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Affinity DataKi:  517nM ΔG°:  -7.97kcal/molepH: 7.4 T: 2°CAssay Description:Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Georgetown University

Curated by ChEMBL
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Affinity DataEC50:  2.40E+3nMAssay Description:The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β2 nAChR subtypes....More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Georgetown University

Curated by ChEMBL
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Affinity DataIC50:  370nMAssay Description:IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Rattus norvegicus (Rat))
Georgetown University

US Patent
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Affinity DataEC50:  2.30E+4nMAssay Description:The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β2 nAChR subtypes....More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Rattus norvegicus (Rat))
Georgetown University

US Patent
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Affinity DataIC50: >1.00E+4nMAssay Description:IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Rattus norvegicus (Rat))
Georgetown University

US Patent
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Affinity DataIC50: >1.00E+4nMAssay Description:Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of nicotine-induced [86Rb+] efflux preincubated for 10 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Rattus norvegicus (Rat))
Georgetown University

US Patent
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Affinity DataEC50:  2.40E+4nMAssay Description:Agonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as stimulation of [86Rb+] efflux after 2 mins by liquid scintillation co...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Georgetown University

Curated by ChEMBL
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Affinity DataIC50:  370nMAssay Description:Antagonist activity at human alpha4beta2 nAChR assessed as inhibition of nicotine-induced [86Rb+] efflux preincubated for 10 mins before nicotine exp...More data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Georgetown University

Curated by ChEMBL
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Affinity DataEC50:  2.40E+3nMAssay Description:Agonist activity at human alpha4beta2 nAChR assessed as stimulation of [86Rb+] efflux after 2 mins by cell-based liquid scintillation countingMore data for this Ligand-Target Pair