BDBM50428083 CHEMBL2323568::US9303017, (S)-16, YL-1-169

SMILES CCCCC#Cc1cnc(C)c(OC[C@@H]2CCCN2)c1

InChI Key InChIKey=CZWUYUYQOZHEAK-INIZCTEOSA-N

Data  9 KI  3 IC50

  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 12 hits for monomerid = 50428083   

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

US Patent
LigandPNGBDBM50428083(CHEMBL2323568 | US9303017, (S)-16, YL-1-169)
Affinity DataKi:  73nM ΔG°:  -9.04kcal/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
LigandPNGBDBM50428083(CHEMBL2323568 | US9303017, (S)-16, YL-1-169)
Affinity DataKi:  130nM ΔG°:  -8.73kcal/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
LigandPNGBDBM50428083(CHEMBL2323568 | US9303017, (S)-16, YL-1-169)
Affinity DataKi:  2.50E+3nM ΔG°:  -7.10kcal/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
LigandPNGBDBM50428083(CHEMBL2323568 | US9303017, (S)-16, YL-1-169)
Affinity DataKi:  2.30E+4nM ΔG°:  -5.88kcal/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
LigandPNGBDBM50428083(CHEMBL2323568 | US9303017, (S)-16, YL-1-169)
Affinity DataKi:  5.90E+4nM ΔG°:  -5.36kcal/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

US Patent
LigandPNGBDBM50428083(CHEMBL2323568 | US9303017, (S)-16, YL-1-169)
Affinity DataKi:  8.10E+4nM ΔG°:  -5.18kcal/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
LigandPNGBDBM50428083(CHEMBL2323568 | US9303017, (S)-16, YL-1-169)
Affinity DataKi:  9.40E+4nM ΔG°:  -5.10kcal/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

US Patent
LigandPNGBDBM50428083(CHEMBL2323568 | US9303017, (S)-16, YL-1-169)
Affinity DataKi:  1.30E+5nM ΔG°:  -4.92kcal/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

US Patent
LigandPNGBDBM50428083(CHEMBL2323568 | US9303017, (S)-16, YL-1-169)
Affinity DataKi:  1.30E+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-4/beta-2(Homo sapiens (Human))
Georgetown University

US Patent
LigandPNGBDBM50428083(CHEMBL2323568 | US9303017, (S)-16, YL-1-169)
Affinity DataIC50:  1.60E+3nMAssay 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
LigandPNGBDBM50428083(CHEMBL2323568 | US9303017, (S)-16, YL-1-169)
Affinity DataIC50:  1.60E+3nMAssay 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
LigandPNGBDBM50428083(CHEMBL2323568 | US9303017, (S)-16, YL-1-169)
Affinity DataIC50:  6.40E+3nMAssay 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