BDBM50428085 CHEMBL2323566::US9303017, (S)-15, YL-1-127
SMILES: CCCCC#Cc1cnc(C)c(OC[C@@H]2CCN2)c1
InChI Key: InChIKey=TVQVEBXIMQEOQV-HNNXBMFYSA-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)) | BDBM50428085 (CHEMBL2323566 | US9303017, (S)-15, YL-1-127) | 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 | 12 | -10.0 | 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)) | BDBM50428085 (CHEMBL2323566 | US9303017, (S)-15, YL-1-127) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 16 | -9.88 | 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)) | BDBM50428085 (CHEMBL2323566 | US9303017, (S)-15, YL-1-127) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 390 | -8.12 | 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)) | BDBM50428085 (CHEMBL2323566 | US9303017, (S)-15, YL-1-127) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 3.50E+3 | -6.91 | 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)) | BDBM50428085 (CHEMBL2323566 | US9303017, (S)-15, YL-1-127) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 3.10E+4 | -5.71 | 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)) | BDBM50428085 (CHEMBL2323566 | US9303017, (S)-15, YL-1-127) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 9.30E+4 | -5.11 | 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)) | BDBM50428085 (CHEMBL2323566 | US9303017, (S)-15, YL-1-127) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9.30E+4 | 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)) | BDBM50428085 (CHEMBL2323566 | US9303017, (S)-15, YL-1-127) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 2.30E+5 | -4.61 | 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)) | BDBM50428085 (CHEMBL2323566 | US9303017, (S)-15, YL-1-127) | 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 | 310 | 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)) | BDBM50428085 (CHEMBL2323566 | US9303017, (S)-15, YL-1-127) | 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 | 180 | 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)) | BDBM50428085 (CHEMBL2323566 | US9303017, (S)-15, YL-1-127) | 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)) | BDBM50428085 (CHEMBL2323566 | US9303017, (S)-15, YL-1-127) | 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 | 18 | 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)) | BDBM50428085 (CHEMBL2323566 | US9303017, (S)-15, YL-1-127) | 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 | 310 | 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)) | BDBM50428085 (CHEMBL2323566 | US9303017, (S)-15, YL-1-127) | 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 | 260 | 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 |