BDBM50035415 (S)-1'-demethylnicotine::1'-demethyl nicotine::3-[(2S)-pyrrolidin-2-yl]pyridine::CHEMBL6200::S-(-)-nornicotine::US8609708, 90 Nornicotine::l-nor-nicotine::nornicotine
SMILES: C1CN[C@@H](C1)c1cccnc1
InChI Key: InChIKey=MYKUKUCHPMASKF-VIFPVBQESA-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 protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat)) | BDBM50035415 ((S)-1'-demethylnicotine | 1'-demethyl nicotine | 3...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Binding affinity towards alpha4-beta2 measured by using the inhibition of [3H]NIC binding to rat striatal membrane | Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-3/Beta-2 (Rattus norvegicus (Rat)) | BDBM50035415 ((S)-1'-demethylnicotine | 1'-demethyl nicotine | 3...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky Curated by ChEMBL | Assay Description Affinity for Nicotinic acetylcholine receptor alpha4-beta2 tested by analogue-induced inhibition of [3H]NIC binding to rat striatal membranes | Bioorg Med Chem Lett 11: 1245-8 (2001) BindingDB Entry DOI: 10.7270/Q2RF5VKS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor (Rattus norvegicus (Rat)) | BDBM50035415 ((S)-1'-demethylnicotine | 1'-demethyl nicotine | 3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Binding affinity towards alpha-7 neuronal nicotonic acetylcholine receptor (nAChRs) measured by using the inhibition of [3H]-MLA binding to whole bra... | Bioorg Med Chem Lett 13: 97-100 (2002) BindingDB Entry DOI: 10.7270/Q2736RF1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor (Rattus norvegicus (Rat)) | BDBM50035415 ((S)-1'-demethylnicotine | 1'-demethyl nicotine | 3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | 1.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky Curated by ChEMBL | Assay Description Affinity for alpha-7 neuronal nicotinic acetylcholine receptor subtype determined by inhibition of [3H]-MLA binding to rat brain membranes | Bioorg Med Chem Lett 11: 1245-8 (2001) BindingDB Entry DOI: 10.7270/Q2RF5VKS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2A6 (Homo sapiens (Human)) | BDBM50035415 ((S)-1'-demethylnicotine | 1'-demethyl nicotine | 3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute US Patent | Assay Description The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ... | US Patent US8609708 (2013) BindingDB Entry DOI: 10.7270/Q2PN9481 | |||||||||||
More data for this Ligand-Target Pair |