BDBM50161764 (R)-4-chloro-N-(quinuclidin-3-yl)benzamide::(R)-4-chloro-N-(quinuclidin-8-yl)benzamide::CHEMBL177611::N-(R)-1-Aza-bicyclo[2.2.2]oct-3-yl-4-chloro-benzamide::PNU-282987::PNU282987
SMILES: Clc1ccc(cc1)C(=O)N[C@H]1CN2CCC1CC2
InChI Key: InChIKey=WECKJONDRAUFDD-ZDUSSCGKSA-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 (Rattus norvegicus (Rat)) | BDBM50161764![]() ((R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development Curated by ChEMBL | Assay Description Displacement of [3H]MLA from alpha7 nAChR in Sprague-Dawley rat brain homogenates | J Med Chem 49: 4425-36 (2006) Article DOI: 10.1021/jm0602413 BindingDB Entry DOI: 10.7270/Q25B023S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor (Rattus norvegicus (Rat)) | BDBM50161764![]() ((R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Displacement of [3H]MLA from alpha-7 nACh receptor in rat brain | Bioorg Med Chem Lett 18: 3611-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.070 BindingDB Entry DOI: 10.7270/Q2KD1ZS9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human)) | BDBM50161764![]() ((R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 24.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
VU University Amsterdam Curated by ChEMBL | Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells | J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human)) | BDBM50161764![]() ((R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago Curated by ChEMBL | Assay Description Agonist activity at alpha7 nAChR (unknown origin) | J Med Chem 57: 8204-23 (2014) Article DOI: 10.1021/jm401937a BindingDB Entry DOI: 10.7270/Q2KW5HPX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 3A (Homo sapiens (Human)) | BDBM50161764![]() ((R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago Curated by ChEMBL | Assay Description Inhibition of 5-HT3 receptor (unknown origin) | J Med Chem 57: 8204-23 (2014) Article DOI: 10.1021/jm401937a BindingDB Entry DOI: 10.7270/Q2KW5HPX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor (Homo sapiens (Human)) | BDBM50161764![]() ((R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development Curated by ChEMBL | Assay Description Binding affinity to 5HT3 receptor | J Med Chem 49: 4425-36 (2006) Article DOI: 10.1021/jm0602413 BindingDB Entry DOI: 10.7270/Q25B023S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholine Binding protein (Lymnaea stagnalis) | BDBM50161764![]() ((R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 2.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
VU University Amsterdam Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system | J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor (Homo sapiens (Human)) | BDBM50161764![]() ((R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 4.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development Curated by ChEMBL | Assay Description Activity at 5HT3 receptor expressed in SHEP1 cells by FLIPR assay | J Med Chem 49: 4425-36 (2006) Article DOI: 10.1021/jm0602413 BindingDB Entry DOI: 10.7270/Q25B023S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholine Binding protein (Aplysia Californica) | BDBM50161764![]() ((R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents | 3.30E+4 | -6.01 | n/a | n/a | n/a | n/a | n/a | 7.4 | 20 | |
UC San Diego | Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ul of 0.2 mg/ml an... | Taylor Research Group (2014) BindingDB Entry DOI: 10.7270/Q2DR2T3Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholine Binding protein (Lymnaea stagnalis) | BDBM50161764![]() ((R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | n/a | 3.63E+3 | n/a | n/a | n/a | n/a | n/a |
VU University Amsterdam Curated by ChEMBL | Assay Description Binding affinity to Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system by surface plasmon resonance biosensor assay | J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain (Homo sapiens (Human)) | BDBM50161764![]() ((R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development Curated by ChEMBL | Assay Description Inhibition of alpha1beta1gammadelta nAChR expressed in TE671cells by FLIPR assay | J Med Chem 49: 4425-36 (2006) Article DOI: 10.1021/jm0602413 BindingDB Entry DOI: 10.7270/Q25B023S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (2D6) (Homo sapiens (Human)) | BDBM50161764![]() ((R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development Curated by ChEMBL | Assay Description Inhibition of CYP2D6 | J Med Chem 49: 4425-36 (2006) Article DOI: 10.1021/jm0602413 BindingDB Entry DOI: 10.7270/Q25B023S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human)) | BDBM50161764![]() ((R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents | n/a | n/a | n/a | n/a | 40 | n/a | n/a | 7.4 | 20 | |
UC San Diego | Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ul of 0.2 mg/ml an... | Taylor Research Group (2014) BindingDB Entry DOI: 10.7270/Q2DR2T3Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit (Homo sapiens (Human)) | BDBM50161764![]() ((R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development Curated by ChEMBL | Assay Description Inhibition of alpha3beta4 nAChR expressed in SHSY5Y cells by FLIPR assay | J Med Chem 49: 4425-36 (2006) Article DOI: 10.1021/jm0602413 BindingDB Entry DOI: 10.7270/Q25B023S | |||||||||||
More data for this Ligand-Target Pair |