BDBM50275308 3-((Isobutyryloxy)-1-methylpropyl)dimethylammonium Oxalate::CHEMBL487350
SMILES: CC(C)C(=O)OCCC(C)N(C)C
InChI Key: InChIKey=AQOUEYFQHYQHSE-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neuronal acetylcholine receptor (Rattus norvegicus (Rat)) | BDBM50275308 (3-((Isobutyryloxy)-1-methylpropyl)dimethylammonium...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells | J Med Chem 51: 7380-95 (2009) Article DOI: 10.1021/jm701625v BindingDB Entry DOI: 10.7270/Q2DF6S4D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor (Rattus norvegicus (Rat)) | BDBM50275308 (3-((Isobutyryloxy)-1-methylpropyl)dimethylammonium...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells | J Med Chem 51: 7380-95 (2009) Article DOI: 10.1021/jm701625v BindingDB Entry DOI: 10.7270/Q2DF6S4D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-3 (Rattus norvegicus (Rat)) | BDBM50275308 (3-((Isobutyryloxy)-1-methylpropyl)dimethylammonium...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells | J Med Chem 51: 7380-95 (2009) Article DOI: 10.1021/jm701625v BindingDB Entry DOI: 10.7270/Q2DF6S4D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor (Rattus norvegicus (Rat)) | BDBM50275308 (3-((Isobutyryloxy)-1-methylpropyl)dimethylammonium...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen Curated by ChEMBL | Assay Description Displacement of [3H]MLA from rat alpha-7 nAChR/mouse 5HT3A chimera expressed in human tsA-201 cells | J Med Chem 51: 7380-95 (2009) Article DOI: 10.1021/jm701625v BindingDB Entry DOI: 10.7270/Q2DF6S4D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-3 (Rattus norvegicus (Rat)) | BDBM50275308 (3-((Isobutyryloxy)-1-methylpropyl)dimethylammonium...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a |
University of Copenhagen Curated by ChEMBL | Assay Description Agonist activity at rat alpha-3-beta-4 nAChR expressed in HEK293 cells by FMP assay | J Med Chem 51: 7380-95 (2009) Article DOI: 10.1021/jm701625v BindingDB Entry DOI: 10.7270/Q2DF6S4D | |||||||||||
More data for this Ligand-Target Pair |