BDBM50083079 3-(3-Methyl-isoxazol-5-ylmethylene)-1-aza-bicyclo[2.2.2]octane::3-[1-(3-Methyl-isoxazol-5-yl)-meth-(E)-ylidene]-1-aza-bicyclo[2.2.2]octane::CHEMBL293142

SMILES: Cc1cc(\C=C2\CN3CCC2CC3)on1

InChI Key: InChIKey=WJMKWBQPBBUJHD-XFFZJAGNSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50083079   

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-3/beta-2 subunit (Homo sapiens (Human))	BDBM50083079 (3-(3-Methyl-isoxazol-5-ylmethylene)-1-aza-bicyclo[...) Show SMILES Cc1cc(\C=C2\CN3CCC2CC3)on1 |THB:4:5:11.12:9.8,(13.29,-18.15,;11.87,-18.74,;11.51,-20.23,;9.97,-20.36,;9.64,-21.86,;8.16,-22.32,;8.44,-23.7,;7.07,-23.07,;5.53,-23.73,;5.33,-22.35,;6.81,-21.72,;6.88,-20.07,;7.33,-21.18,;9.38,-18.92,;10.56,-17.93,)| Show InChI InChI=1S/C12H16N2O/c1-9-6-12(15-13-9)7-11-8-14-4-2-10(11)3-5-14/h6-7,10H,2-5,8H2,1H3/b11-7-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	854	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration required for in vitro binding affinity to Nicotinic acetylcholine receptor alpha3-beta2 expressed on cell line sf 9 by using...				Bioorg Med Chem Lett 7: 1963-1968 (1997) Article DOI: 10.1016/S0960-894X(97)00347-8 BindingDB Entry DOI: 10.7270/Q2J67GX6
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (RAT)	BDBM50083079 (3-(3-Methyl-isoxazol-5-ylmethylene)-1-aza-bicyclo[...) Show SMILES Cc1cc(\C=C2\CN3CCC2CC3)on1 |THB:4:5:11.12:9.8,(13.29,-18.15,;11.87,-18.74,;11.51,-20.23,;9.97,-20.36,;9.64,-21.86,;8.16,-22.32,;8.44,-23.7,;7.07,-23.07,;5.53,-23.73,;5.33,-22.35,;6.81,-21.72,;6.88,-20.07,;7.33,-21.18,;9.38,-18.92,;10.56,-17.93,)| Show InChI InChI=1S/C12H16N2O/c1-9-6-12(15-13-9)7-11-8-14-4-2-10(11)3-5-14/h6-7,10H,2-5,8H2,1H3/b11-7-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro displacement of [3H]oxotremorine-M from muscarinic acetylcholine receptor in rat brain cortex				J Med Chem 42: 4970-80 (1999) Article DOI: 10.1021/jm9910627 BindingDB Entry DOI: 10.7270/Q2K0770F
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (RAT)	BDBM50083079 (3-(3-Methyl-isoxazol-5-ylmethylene)-1-aza-bicyclo[...) Show SMILES Cc1cc(\C=C2\CN3CCC2CC3)on1 |THB:4:5:11.12:9.8,(13.29,-18.15,;11.87,-18.74,;11.51,-20.23,;9.97,-20.36,;9.64,-21.86,;8.16,-22.32,;8.44,-23.7,;7.07,-23.07,;5.53,-23.73,;5.33,-22.35,;6.81,-21.72,;6.88,-20.07,;7.33,-21.18,;9.38,-18.92,;10.56,-17.93,)| Show InChI InChI=1S/C12H16N2O/c1-9-6-12(15-13-9)7-11-8-14-4-2-10(11)3-5-14/h6-7,10H,2-5,8H2,1H3/b11-7-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration required for in vitro binding affinity to cholinergic central muscarinic receptor on rat brain cortex by using [3H]OXO-M				Bioorg Med Chem Lett 7: 1963-1968 (1997) Article DOI: 10.1016/S0960-894X(97)00347-8 BindingDB Entry DOI: 10.7270/Q2J67GX6
					More data for this Ligand-Target Pair