BDBM50248045 (S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylcarbamate::CHEMBL499536
SMILES: C[C@H](OC(=O)N[C@@H]1CN2CCC1CC2)c1ccccc1F
InChI Key: InChIKey=HQYLURGLNKLOQJ-XHDPSFHLSA-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 protein alpha-7 subunit (Homo sapiens (Human)) | BDBM50248045 ((S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylca...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc Curated by ChEMBL | Assay Description Displacement of [125I]alpha-bungarotoxin from human recombinant alpha7 nAchR | J Med Chem 54: 7943-61 (2011) Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 3A (Homo sapiens (Human)) | BDBM50248045 ((S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylca...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research Curated by ChEMBL | Assay Description Antagonist activity at human 5HT3 receptor by calcium influx assay | Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human)) | BDBM50248045 ((S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylca...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Targacept, Inc Curated by ChEMBL | Assay Description Agonist activity at human recombinant alpha7 nAChR expressed in human GH3 cells by calcium flux assay | J Med Chem 54: 7943-61 (2011) Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human)) | BDBM50248045 ((S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylca...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
Targacept, Inc Curated by ChEMBL | Assay Description Agonist activity at human alpha7 nAChR expressed in Xenopus oocytes assessed as induction of inward current | J Med Chem 54: 7943-61 (2011) Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human)) | BDBM50248045 ((S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylca...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
Targacept, Inc Curated by ChEMBL | Assay Description Agonist activity at human alpha7 nAChR expressed in Xenopus oocytes assessed as induction of inward current | J Med Chem 54: 7943-61 (2011) Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 3A (Homo sapiens (Human)) | BDBM50248045 ((S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylca...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc Curated by ChEMBL | Assay Description Binding affinity to 5HT3 receptor | J Med Chem 54: 7943-61 (2011) Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human)) | BDBM50248045 ((S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylca...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research Curated by ChEMBL | Assay Description Inhibition of human recombinant muscarinic M1 receptor | Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human)) | BDBM50248045 ((S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylca...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research Curated by ChEMBL | Assay Description Inhibition of human recombinant muscarinic M2 receptor | Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human)) | BDBM50248045 ((S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylca...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research Curated by ChEMBL | Assay Description Inhibition of human recombinant muscarinic M3 receptor | Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human)) | BDBM50248045 ((S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylca...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research Curated by ChEMBL | Assay Description Inhibition of human recombinant muscarinic M4 receptor | Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human)) | BDBM50248045 ((S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylca...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research Curated by ChEMBL | Assay Description Inhibition of human recombinant muscarinic M5 receptor | Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human)) | BDBM50248045 ((S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylca...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research Curated by ChEMBL | Assay Description Agonist activity at human recombinant alpha7 nAChR expressed in rat GH3 cells by calcium influx assay | Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human)) | BDBM50248045 ((S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylca...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 2.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research Curated by ChEMBL | Assay Description Antagonist activity at human alpha4beta2 nAChR expressed in HEK293 cells by calcium influx assay | Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
alpha-1 Nicotinic AChR (Homo sapiens (Human)) | BDBM50248045 ((S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylca...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 1.26E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research Curated by ChEMBL | Assay Description Antagonist activity at human alpha-1-beta-1-gamma-delta nAChR expressed in human TE671 cells by calcium influx assay | Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human)) | BDBM50248045 ((S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylca...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Targacept, Inc Curated by ChEMBL | Assay Description Agonist activity at human recombinant alpha7 nAChR expressed in human GH3 cells by calcium flux assay | J Med Chem 54: 7943-61 (2011) Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP | |||||||||||
More data for this Ligand-Target Pair |