BDBM50428079 CHEMBL2323569::US9303017, 25, YL-1-199
SMILES: Cc1ncc(cc1OC[C@@H]1CCN1)C#CC1CC1
InChI Key: InChIKey=SPTQZFUOJBUHQA-AWEZNQCLSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human)) | BDBM50428079 (CHEMBL2323569 | US9303017, 25, YL-1-199) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 9.60 | -10.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Georgetown University; Duke University US Patent | Assay 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.... | US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human)) | BDBM50428079 (CHEMBL2323569 | US9303017, 25, YL-1-199) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 9.60 | -10.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Georgetown University; Duke University US Patent | Assay 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.... | US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit (Rattus norvegicus (Rat)) | BDBM50428079 (CHEMBL2323569 | US9303017, 25, YL-1-199) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 13 | -9.99 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Georgetown University; Duke University US Patent | Assay 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.... | US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-3/Beta-2 (Rattus norvegicus (Rat)) | BDBM50428079 (CHEMBL2323569 | US9303017, 25, YL-1-199) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 340 | -8.20 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Georgetown University; Duke University US Patent | Assay 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.... | US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit (Rattus norvegicus (Rat)) | BDBM50428079 (CHEMBL2323569 | US9303017, 25, YL-1-199) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 750 | -7.76 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Georgetown University; Duke University US Patent | Assay 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.... | US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-2/Beta-4 (Rattus norvegicus (Rat)) | BDBM50428079 (CHEMBL2323569 | US9303017, 25, YL-1-199) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 9.60E+3 | -6.36 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Georgetown University; Duke University US Patent | Assay 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.... | US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor (Rattus norvegicus (Rat)) | BDBM50428079 (CHEMBL2323569 | US9303017, 25, YL-1-199) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center Curated by ChEMBL | Assay Description Displacement of [3H]-Epibatidine from rat alpha7 nACHR expressed in HEK293 cell membranes membranes by liquid scintillation counting analysis | J Med Chem 56: 3000-11 (2013) Article DOI: 10.1021/jm4000374 BindingDB Entry DOI: 10.7270/Q21Z45R1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat)) | BDBM50428079 (CHEMBL2323569 | US9303017, 25, YL-1-199) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 1.50E+5 | -4.85 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Georgetown University; Duke University US Patent | Assay 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.... | US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor (Rattus norvegicus (Rat)) | BDBM50428079 (CHEMBL2323569 | US9303017, 25, YL-1-199) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 1.50E+5 | -4.85 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Georgetown University; Duke University US Patent | Assay 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.... | US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat)) | BDBM50428079 (CHEMBL2323569 | US9303017, 25, YL-1-199) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 1.50E+5 | -4.85 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Georgetown University; Duke University US Patent | Assay 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.... | US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor (Rattus norvegicus (Rat)) | BDBM50428079 (CHEMBL2323569 | US9303017, 25, YL-1-199) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 1.50E+5 | -4.85 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
Georgetown University; Duke University US Patent | Assay 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.... | US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human)) | BDBM50428079 (CHEMBL2323569 | US9303017, 25, YL-1-199) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Medical Center Curated by ChEMBL | Assay Description Desensitization of human alpha4beta2 nACHR expressed in HEK293 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins measured after 2... | J Med Chem 56: 3000-11 (2013) Article DOI: 10.1021/jm4000374 BindingDB Entry DOI: 10.7270/Q21Z45R1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human)) | BDBM50428079 (CHEMBL2323569 | US9303017, 25, YL-1-199) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a |
Georgetown University Medical Center Curated by ChEMBL | Assay Description Agonist activity at human alpha4beta2 nACHR expressed in HEK293 cells assessed as stimulation of 86Rb+ efflux after 2 hrs by liquid scintillation cou... | J Med Chem 56: 3000-11 (2013) Article DOI: 10.1021/jm4000374 BindingDB Entry DOI: 10.7270/Q21Z45R1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human)) | BDBM50428079 (CHEMBL2323569 | US9303017, 25, YL-1-199) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University; Duke University US Patent | Assay Description IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β... | US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat)) | BDBM50428079 (CHEMBL2323569 | US9303017, 25, YL-1-199) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University; Duke University US Patent | Assay Description IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β... | US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat)) | BDBM50428079 (CHEMBL2323569 | US9303017, 25, YL-1-199) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University; Duke University US Patent | Assay Description IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β... | US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human)) | BDBM50428079 (CHEMBL2323569 | US9303017, 25, YL-1-199) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a |
Georgetown University; Duke University US Patent | Assay Description The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β2 nAChR subtypes.... | US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human)) | BDBM50428079 (CHEMBL2323569 | US9303017, 25, YL-1-199) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University; Duke University US Patent | Assay Description IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β... | US Patent US9303017 (2016) BindingDB Entry DOI: 10.7270/Q25X27SF | |||||||||||
More data for this Ligand-Target Pair |