BDBM50201053 (1R,6S)-2-bromo-5-(3,8-diaza-bicyclo[4.2.0]oct-8-yl)-nicotinonitrile::5-((1R,6S)-3,8-diaza-bicyclo[4.2.0]octan-8-yl)-2-bromonicotinonitrile::CHEMBL220295
SMILES: Brc1ncc(cc1C#N)N1C[C@@H]2CCNC[C@H]12
InChI Key: InChIKey=LLPVKQBBRMQRGH-KWQFWETISA-N
Data: 3 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cholinergic, Nicotinic Alpha3Beta2 (Homo sapiens (Human)) | BDBM50201053 ((1R,6S)-2-bromo-5-(3,8-diaza-bicyclo[4.2.0]oct-8-y...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 794 | n/a | n/a | n/a | n/a |
Burnham Institute for Medical Research Curated by ChEMBL | Assay Description Agonist activity against human alpha3beta4 nAChR | Bioorg Med Chem Lett 19: 127-31 (2008) Article DOI: 10.1016/j.bmcl.2008.11.016 BindingDB Entry DOI: 10.7270/Q2T154WM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human)) | BDBM50201053 ((1R,6S)-2-bromo-5-(3,8-diaza-bicyclo[4.2.0]oct-8-y...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a |
Burnham Institute for Medical Research Curated by ChEMBL | Assay Description Agonist activity against human alpha4beta2 nAChR | Bioorg Med Chem Lett 19: 127-31 (2008) Article DOI: 10.1016/j.bmcl.2008.11.016 BindingDB Entry DOI: 10.7270/Q2T154WM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human)) | BDBM50201053 ((1R,6S)-2-bromo-5-(3,8-diaza-bicyclo[4.2.0]oct-8-y...) | 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 | 109 | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR | J Med Chem 49: 7843-53 (2006) Article DOI: 10.1021/jm060846z BindingDB Entry DOI: 10.7270/Q28G8MZZ | |||||||||||
More data for this Ligand-Target Pair |