BDBM50088438 1-(pyridin-3-yl)-1,4-diazepane::1-Pyridin-3-yl-[1,4]diazepane::CHEMBL71085::NS3531, 1
SMILES: C1CNCCN(C1)c1cccnc1
InChI Key: InChIKey=JBOVXXZNZSULJJ-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 (Rattus norvegicus (Rat)) | BDBM50088438 (1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 0.720 | 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 protein alpha-2/beta-2 subunit (Rattus norvegicus (Rat)) | BDBM50088438 (1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.10 | 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 Displacement of [3H]epibatidine from rat alpha2beta2 nAChR by liquid scintillation counting | Eur J Med Chem 124: 689-697 (2016) Article DOI: 10.1016/j.ejmech.2016.09.016 BindingDB Entry DOI: 10.7270/Q2H41TDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholine Binding protein (Lymnaea stagnalis) | BDBM50088438 (1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 3.10 | 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 protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat)) | BDBM50088438 (1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 3.40 | 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 Displacement of [3H]epibatidine from rat alpha4beta2 nAChR by liquid scintillation counting | Eur J Med Chem 124: 689-697 (2016) Article DOI: 10.1016/j.ejmech.2016.09.016 BindingDB Entry DOI: 10.7270/Q2H41TDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-3/Beta-2 (Rattus norvegicus (Rat)) | BDBM50088438 (1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 5.10 | 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 Displacement of [3H]epibatidine from rat alpha3beta2 nAChR by liquid scintillation counting | Eur J Med Chem 124: 689-697 (2016) Article DOI: 10.1016/j.ejmech.2016.09.016 BindingDB Entry DOI: 10.7270/Q2H41TDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-2/Beta-4 (Rattus norvegicus (Rat)) | BDBM50088438 (1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 62 | 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 Displacement of [3H]epibatidine from rat alpha2beta4 nAChR by liquid scintillation counting | Eur J Med Chem 124: 689-697 (2016) Article DOI: 10.1016/j.ejmech.2016.09.016 BindingDB Entry DOI: 10.7270/Q2H41TDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit (Rattus norvegicus (Rat)) | BDBM50088438 (1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 72 | 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 Displacement of [3H]epibatidine from rat alpha4beta4 nAChR by liquid scintillation counting | Eur J Med Chem 124: 689-697 (2016) Article DOI: 10.1016/j.ejmech.2016.09.016 BindingDB Entry DOI: 10.7270/Q2H41TDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor (Rattus norvegicus (Rat)) | BDBM50088438 (1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 136 | 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 Alpha-3/Beta-4 (Rattus norvegicus (Rat)) | BDBM50088438 (1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 366 | 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 Displacement of [3H]epibatidine from rat alpha3beta4 nAChR by liquid scintillation counting | Eur J Med Chem 124: 689-697 (2016) Article DOI: 10.1016/j.ejmech.2016.09.016 BindingDB Entry DOI: 10.7270/Q2H41TDB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human)) | BDBM50088438 (1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.91 | 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 (Rattus norvegicus (Rat)) | BDBM50088438 (1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hawai'i at Hilo Curated by ChEMBL | Assay Description Displacement of [3H]-alpha-bungarotoxin from alpha7 nicotine acetylcholine receptor in Wistar rat cerebral cortex after 2 hrs by liquid scintillation... | Bioorg Med Chem 23: 4375-89 (2015) Article DOI: 10.1016/j.bmc.2015.06.034 BindingDB Entry DOI: 10.7270/Q2C24Z6H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human)) | BDBM50088438 (1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 229 | 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 |