BDBM50088453 1-(6-Bromo-5-ethoxy-pyridin-3-yl)-[1,4]diazepane::1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane::CHEMBL72433::NS3570, 5
SMILES: CCOc1cc(cnc1Br)N1CCCNCC1
InChI Key: InChIKey=UGNNTIXQGYYUAP-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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Acetylcholine Binding protein (Lymnaea stagnalis) | BDBM50088453 (1-(6-Bromo-5-ethoxy-pyridin-3-yl)-[1,4]diazepane |...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.0670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen | Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti... | J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Neuronal acetylcholine receptor (Rattus norvegicus (Rat)) | BDBM50088453 (1-(6-Bromo-5-ethoxy-pyridin-3-yl)-[1,4]diazepane |...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen | Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti... | J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor (Rattus norvegicus (Rat)) | BDBM50088453 (1-(6-Bromo-5-ethoxy-pyridin-3-yl)-[1,4]diazepane |...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 847 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen | Assay Description Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti... | J Biol Chem 287: 4248-59 (2012) Article DOI: 10.1074/jbc.M111.292243 BindingDB Entry DOI: 10.7270/Q2J964Z5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human)) | BDBM50088453 (1-(6-Bromo-5-ethoxy-pyridin-3-yl)-[1,4]diazepane |...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 0.871 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Turin Curated by ChEMBL | Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells | J Med Chem 52: 2311-6 (2009) Article DOI: 10.1021/jm801060h BindingDB Entry DOI: 10.7270/Q2XK8GS0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human)) | BDBM50088453 (1-(6-Bromo-5-ethoxy-pyridin-3-yl)-[1,4]diazepane |...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 257 | n/a | n/a | n/a | n/a |
University of Turin Curated by ChEMBL | Assay Description Agonist activity at human alpha4beta2 nAChR expressed in HEK293 cells assessed as intracellular calcium level by FLIPR assay | J Med Chem 52: 2311-6 (2009) Article DOI: 10.1021/jm801060h BindingDB Entry DOI: 10.7270/Q2XK8GS0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat)) | BDBM50088453 (1-(6-Bromo-5-ethoxy-pyridin-3-yl)-[1,4]diazepane |...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 0.870 | n/a | n/a | n/a | n/a | n/a | n/a |
NeuroSearch A/S Curated by ChEMBL | Assay Description In vitro binding affinity for Nicotinic acetylcholine receptor alpha4-beta2 (alpha4 beta-2 subtype of nAChRs) in rat cerebral cortical membrane using... | J Med Chem 43: 2217-26 (2000) BindingDB Entry DOI: 10.7270/Q2NC62DS | |||||||||||
More data for this Ligand-Target Pair |