BDBM50382474 CHEMBL2024096::US9303017, Sazetidine-A
SMILES: OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
InChI Key: InChIKey=WONBUILDJNKYCB-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 |
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Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | US Patent | 0.0620 | -12.9 | 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)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay | J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit (Rattus norvegicus (Rat)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | US Patent | 0.0870 | -12.7 | 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)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | US Patent | 0.380 | -11.9 | 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)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | US Patent | 52 | -9.23 | 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)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | US Patent | 210 | -8.46 | 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)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 670 | 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 (Rattus norvegicus (Rat)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | US Patent | 670 | -7.82 | 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)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | US Patent | 1.60E+3 | -7.34 | 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)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK293 cells after 4 hrs | J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | US Patent | 1.90E+3 | -7.25 | 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)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 11 | 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)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 5.80 | n/a | n/a | n/a | n/a |
University of Illinois at Chicago Curated by ChEMBL | Assay Description Agonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as 86Rb+ ion efflux after 9.5 mins by flip-plate technique | J Med Chem 55: 717-24 (2012) Article DOI: 10.1021/jm201157c BindingDB Entry DOI: 10.7270/Q21N8244 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 24 | 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)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a |
Georgetown University Curated by ChEMBL | Assay Description Agonist activity at human alpha4beta2 nAChR assessed as stimulation of [86Rb+] efflux after 2 mins by cell-based liquid scintillation counting | J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Curated by ChEMBL | Assay Description Antagonist activity at human alpha4beta2 nAChR assessed as inhibition of nicotine-induced [86Rb+] efflux preincubated for 10 mins before nicotine exp... | J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University Curated by ChEMBL | Assay Description Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of nicotine-induced [86Rb+] efflux preincubated for 10 ... | J Med Chem 56: 8404-21 (2013) Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 0.270 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Milano Curated by ChEMBL | Assay Description Agonist activity at human alpha4beta2 nAChR expressed in rat GH4C1 cells assessed as induction of peak current amplitude at holding potential of -70 ... | J Med Chem 58: 6665-77 (2015) BindingDB Entry DOI: 10.7270/Q2CF9RX4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 7.5 | 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)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago Curated by ChEMBL | Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincuba... | J Med Chem 55: 717-24 (2012) Article DOI: 10.1021/jm201157c BindingDB Entry DOI: 10.7270/Q21N8244 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase 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-3/Beta-4 (Rattus norvegicus (Rat)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | n/a | n/a | 2.40E+4 | 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)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 12 | 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)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | n/a | n/a | 24 | 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-3/Beta-4 (Rattus norvegicus (Rat)) | BDBM50382474 (CHEMBL2024096 | US9303017, Sazetidine-A) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase 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 |