BDBM221048 US9284322, varenicline::US9303017, Varenicline

SMILES C1[C@H]2CNC[C@@H]1c1cc3nccnc3cc21

InChI Key InChIKey=JQSHBVHOMNKWFT-DTORHVGOSA-N

Data  11 KI  2 IC50  2 EC50

PDB links: 7 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 15 hits for monomerid = 221048   

TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Suven Life Sciences

Curated by ChEMBL
LigandPNGBDBM221048(US9284322, varenicline | US9303017, Varenicline)
Affinity DataKi:  0.0400nMAssay Description:Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting methodMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Suven Life Sciences

Curated by ChEMBL
LigandPNGBDBM221048(US9284322, varenicline | US9303017, Varenicline)
Affinity DataKi:  0.120nM ΔG°:  -12.6kcal/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
LigandPNGBDBM221048(US9284322, varenicline | US9303017, Varenicline)
Affinity DataKi:  0.120nM ΔG°:  -13.5kcal/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
TargetNeuronal acetylcholine receptor subunit alpha-2/beta-2(Rattus norvegicus (Rat))
Georgetown University

US Patent
LigandPNGBDBM221048(US9284322, varenicline | US9303017, Varenicline)
Affinity DataKi:  0.480nM ΔG°:  -11.8kcal/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
LigandPNGBDBM221048(US9284322, varenicline | US9303017, Varenicline)
Affinity DataKi:  2.5nM ΔG°:  -10.9kcal/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
LigandPNGBDBM221048(US9284322, varenicline | US9303017, Varenicline)
Affinity DataKi:  28nM ΔG°:  -9.57kcal/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-7(Rattus norvegicus (Rat))
Research Triangle Institute

US Patent
LigandPNGBDBM221048(US9284322, varenicline | US9303017, Varenicline)
Affinity DataKi:  32.5nMpH: 7.4Assay Description:Adult male rat cerebral cortices (Pel-Freez Biologicals, Rogers, Ark.) were homogenized (polytron) in 39 volumes of ice-cold 50 mM Tris buffer (assay...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNeuronal acetylcholine receptor subunit alpha-7(Rattus norvegicus (Rat))
Research Triangle Institute

US Patent
LigandPNGBDBM221048(US9284322, varenicline | US9303017, Varenicline)
Affinity DataKi:  37nM ΔG°:  -9.42kcal/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(Homo sapiens (Human))
Suven Life Sciences

Curated by ChEMBL
LigandPNGBDBM221048(US9284322, varenicline | US9303017, Varenicline)
Affinity DataKi:  40nMAssay Description:Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in IMR32 cell membrane by microbeta scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-2/beta-4(Rattus norvegicus (Rat))
Georgetown University

US Patent
LigandPNGBDBM221048(US9284322, varenicline | US9303017, Varenicline)
Affinity DataKi:  94nM ΔG°:  -8.90kcal/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
LigandPNGBDBM221048(US9284322, varenicline | US9303017, Varenicline)
Affinity DataKi:  390nM ΔG°:  -8.12kcal/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
LigandPNGBDBM221048(US9284322, varenicline | US9303017, Varenicline)
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-4/beta-2(Homo sapiens (Human))
Suven Life Sciences

Curated by ChEMBL
LigandPNGBDBM221048(US9284322, varenicline | US9303017, Varenicline)
Affinity DataIC50:  94nMAssay 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-4/beta-2(Homo sapiens (Human))
Suven Life Sciences

Curated by ChEMBL
LigandPNGBDBM221048(US9284322, varenicline | US9303017, Varenicline)
Affinity DataEC50:  950nMAssay 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-3/beta-4(Rattus norvegicus (Rat))
Georgetown University

US Patent
LigandPNGBDBM221048(US9284322, varenicline | US9303017, Varenicline)
Affinity DataEC50:  2.20E+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