BDBM50428079 CHEMBL2323569::US9303017, 25, YL-1-199

SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CC1CC1

InChI Key InChIKey=SPTQZFUOJBUHQA-AWEZNQCLSA-N

Data  11 KI  5 IC50  2 EC50

  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 18 hits for monomerid = 50428079   

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

US Patent
LigandPNGBDBM50428079(CHEMBL2323569 | US9303017, 25, YL-1-199)
Affinity DataKi:  9.60nM ΔG°:  -10.2kcal/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-4/beta-2(Homo sapiens (Human))
Georgetown University

US Patent
LigandPNGBDBM50428079(CHEMBL2323569 | US9303017, 25, YL-1-199)
Affinity DataKi:  9.60nM ΔG°:  -10.2kcal/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-2/beta-2(Rattus norvegicus (Rat))
Georgetown University

US Patent
LigandPNGBDBM50428079(CHEMBL2323569 | US9303017, 25, YL-1-199)
Affinity DataKi:  13nM ΔG°:  -9.99kcal/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-2(Rattus norvegicus (Rat))
Georgetown University

US Patent
LigandPNGBDBM50428079(CHEMBL2323569 | US9303017, 25, YL-1-199)
Affinity DataKi:  340nM ΔG°:  -8.20kcal/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-4/beta-4(Rattus norvegicus (Rat))
Georgetown University

US Patent
LigandPNGBDBM50428079(CHEMBL2323569 | US9303017, 25, YL-1-199)
Affinity DataKi:  750nM ΔG°:  -7.76kcal/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-2/beta-4(Rattus norvegicus (Rat))
Georgetown University

US Patent
LigandPNGBDBM50428079(CHEMBL2323569 | US9303017, 25, YL-1-199)
Affinity DataKi:  9.60E+3nM ΔG°:  -6.36kcal/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-7(Rattus norvegicus (Rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50428079(CHEMBL2323569 | US9303017, 25, YL-1-199)
Affinity DataKi:  1.50E+5nMAssay Description:Displacement of [3H]-Epibatidine from rat alpha7 nACHR expressed in HEK293 cell membranes membranes by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Rattus norvegicus (Rat))
Georgetown University

US Patent
LigandPNGBDBM50428079(CHEMBL2323569 | US9303017, 25, YL-1-199)
Affinity DataKi:  1.50E+5nM ΔG°:  -4.85kcal/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-7(Rattus norvegicus (Rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50428079(CHEMBL2323569 | US9303017, 25, YL-1-199)
Affinity DataKi:  1.50E+5nM ΔG°:  -4.85kcal/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
LigandPNGBDBM50428079(CHEMBL2323569 | US9303017, 25, YL-1-199)
Affinity DataKi:  1.50E+5nM ΔG°:  -4.85kcal/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-7(Rattus norvegicus (Rat))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50428079(CHEMBL2323569 | US9303017, 25, YL-1-199)
Affinity DataKi:  1.50E+5nM ΔG°:  -4.85kcal/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-4/beta-2(Homo sapiens (Human))
Georgetown University

US Patent
LigandPNGBDBM50428079(CHEMBL2323569 | US9303017, 25, YL-1-199)
Affinity DataIC50:  110nMAssay Description:Desensitization of human alpha4beta2 nACHR expressed in HEK293 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins measured after 2...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Georgetown University

US Patent
LigandPNGBDBM50428079(CHEMBL2323569 | US9303017, 25, YL-1-199)
Affinity DataEC50:  160nMAssay Description:Agonist activity at human alpha4beta2 nACHR expressed in HEK293 cells assessed as stimulation of 86Rb+ efflux after 2 hrs by liquid scintillation cou...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Georgetown University

US Patent
LigandPNGBDBM50428079(CHEMBL2323569 | US9303017, 25, YL-1-199)
Affinity DataIC50:  11nMAssay 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
LigandPNGBDBM50428079(CHEMBL2323569 | US9303017, 25, YL-1-199)
Affinity DataIC50:  3.60E+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
LigandPNGBDBM50428079(CHEMBL2323569 | US9303017, 25, YL-1-199)
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))
Georgetown University

US Patent
LigandPNGBDBM50428079(CHEMBL2323569 | US9303017, 25, YL-1-199)
Affinity DataEC50:  160nMAssay 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-4/beta-2(Homo sapiens (Human))
Georgetown University

US Patent
LigandPNGBDBM50428079(CHEMBL2323569 | US9303017, 25, YL-1-199)
Affinity DataIC50:  110nMAssay 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