BDBM50257941 7-(pyridin-3-yl)-1,7-diazaspiro[4.4]nonane::CHEMBL504652
SMILES: C1CNC2(C1)CCN(C2)c1cccnc1
InChI Key: InChIKey=NXIPMBQVNTWEEX-UHFFFAOYSA-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)) | BDBM50257941 (7-(pyridin-3-yl)-1,7-diazaspiro[4.4]nonane | CHEMB...) | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd. Curated by ChEMBL | Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method | J Med Chem 63: 2833-2853 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human)) | BDBM50257941 (7-(pyridin-3-yl)-1,7-diazaspiro[4.4]nonane | CHEMB...) | 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 | 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc. Curated by ChEMBL | Assay Description Displacement of [3H]-epibatidine from human nAChR alpha4beta2 expressed in human SH-EP1 cells | Bioorg Med Chem Lett 22: 5089-92 (2012) Article DOI: 10.1016/j.bmcl.2012.05.108 BindingDB Entry DOI: 10.7270/Q24X58W1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor (Rattus norvegicus (Rat)) | BDBM50257941 (7-(pyridin-3-yl)-1,7-diazaspiro[4.4]nonane | CHEMB...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane | Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human)) | BDBM50257941 (7-(pyridin-3-yl)-1,7-diazaspiro[4.4]nonane | CHEMB...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc. Curated by ChEMBL | Assay Description Binding affinity to human ganglionic nAChR alpha3beta4 expressed in human SHSY-5Y cells | Bioorg Med Chem Lett 22: 5089-92 (2012) Article DOI: 10.1016/j.bmcl.2012.05.108 BindingDB Entry DOI: 10.7270/Q24X58W1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human)) | BDBM50257941 (7-(pyridin-3-yl)-1,7-diazaspiro[4.4]nonane | CHEMB...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc. Curated by ChEMBL | Assay Description Binding affinity to human nAChR alpha7 expressed in HEK cells coexpressing RIC3 | Bioorg Med Chem Lett 22: 5089-92 (2012) Article DOI: 10.1016/j.bmcl.2012.05.108 BindingDB Entry DOI: 10.7270/Q24X58W1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human)) | BDBM50257941 (7-(pyridin-3-yl)-1,7-diazaspiro[4.4]nonane | CHEMB...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd. Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in IMR32 cell membrane by microbeta scintillation counting method | J Med Chem 63: 2833-2853 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinergic, Nicotinic Alpha3Beta2 (Homo sapiens (Human)) | BDBM50257941 (7-(pyridin-3-yl)-1,7-diazaspiro[4.4]nonane | CHEMB...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Agonist activity at human recombinant alpha3beta4 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay | Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human)) | BDBM50257941 (7-(pyridin-3-yl)-1,7-diazaspiro[4.4]nonane | CHEMB...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 5.50E+4 | n/a | n/a | n/a | n/a |
Targacept, Inc. Curated by ChEMBL | Assay Description Antagonist activity at human ganglionic nAChR alpha3beta4 expressed in human SHSY-5Y cells assessed as calcium flux by fluorescence analysis | Bioorg Med Chem Lett 22: 5089-92 (2012) Article DOI: 10.1016/j.bmcl.2012.05.108 BindingDB Entry DOI: 10.7270/Q24X58W1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human)) | BDBM50257941 (7-(pyridin-3-yl)-1,7-diazaspiro[4.4]nonane | CHEMB...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Agonist activity at human recombinant alpha4beta2 nAChR expressed in human IMR32 cells assessed as calcium dynamics by FLIPR assay | Bioorg Med Chem Lett 19: 1682-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.099 BindingDB Entry DOI: 10.7270/Q2HD7VJK | |||||||||||
More data for this Ligand-Target Pair |