BDBM50216347 (1R,4R)-2-(3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane::(1S,4S)-2-(3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane::2-(pyridin-3-yl)-2,5-diazabicyclo[2.2.1]heptane::CHEMBL389964
SMILES: C1NC2CC1N(C2)c1cccnc1
InChI Key: InChIKey=ZGHKBXCWIZHPBZ-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)) | BDBM50216347 ((1R,4R)-2-(3-pyridinyl)-2,5-diazabicyclo[2.2.1]hep...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.150 | 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 protein alpha-2/beta-2 subunit (Rattus norvegicus (Rat)) | BDBM50216347 ((1R,4R)-2-(3-pyridinyl)-2,5-diazabicyclo[2.2.1]hep...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.300 | 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 | |||||||||||||
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat)) | BDBM50216347 ((1R,4R)-2-(3-pyridinyl)-2,5-diazabicyclo[2.2.1]hep...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1 | 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)) | BDBM50216347 ((1R,4R)-2-(3-pyridinyl)-2,5-diazabicyclo[2.2.1]hep...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.10 | 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 protein alpha-4/beta-4 subunit (Rattus norvegicus (Rat)) | BDBM50216347 ((1R,4R)-2-(3-pyridinyl)-2,5-diazabicyclo[2.2.1]hep...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.70 | 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 Alpha-2/Beta-4 (Rattus norvegicus (Rat)) | BDBM50216347 ((1R,4R)-2-(3-pyridinyl)-2,5-diazabicyclo[2.2.1]hep...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 15 | 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 Alpha-3/Beta-4 (Rattus norvegicus (Rat)) | BDBM50216347 ((1R,4R)-2-(3-pyridinyl)-2,5-diazabicyclo[2.2.1]hep...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 65 | 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 Alpha-4/Beta-2 (Homo sapiens (Human)) | BDBM50216347 ((1R,4R)-2-(3-pyridinyl)-2,5-diazabicyclo[2.2.1]hep...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 370 | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Agonist activity at alpha-4-beta-2 in IMR-32cells assessed as calcium influx by FLIPR assay | J Med Chem 50: 3627-44 (2007) Article DOI: 10.1021/jm070018l BindingDB Entry DOI: 10.7270/Q2KS6SSX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinergic, Nicotinic Alpha3Beta2 (Homo sapiens (Human)) | BDBM50216347 ((1R,4R)-2-(3-pyridinyl)-2,5-diazabicyclo[2.2.1]hep...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 6.40E+3 | 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 Alpha-4/Beta-2 (Homo sapiens (Human)) | BDBM50216347 ((1R,4R)-2-(3-pyridinyl)-2,5-diazabicyclo[2.2.1]hep...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Agonist activity at alpha-4-beta-2 in IMR-32cells assessed as calcium influx by FLIPR assay | J Med Chem 50: 3627-44 (2007) Article DOI: 10.1021/jm070018l BindingDB Entry DOI: 10.7270/Q2KS6SSX | |||||||||||
More data for this Ligand-Target Pair |