BDBM50081733 3-(3-Methyl-isoxazol-5-ylmethylene)-1-aza-bicyclo[2.2.2]octane::3-[1-(3-Methyl-isoxazol-5-yl)-meth-(Z)-ylidene]-1-aza-bicyclo[2.2.2]octane::CHEMBL58416

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

InChI Key: InChIKey=WJMKWBQPBBUJHD-YRNVUSSQSA-N

Data: 4 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 4 hits for monomerid = 50081733   

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))	BDBM50081733 (3-(3-Methyl-isoxazol-5-ylmethylene)-1-aza-bicyclo[...) Show SMILES Cc1cc(\C=C2/CN3CCC2CC3)on1 |THB:4:5:11.12:9.8,(26.44,-10.99,;26.13,-9.47,;24.73,-8.83,;24.91,-7.3,;23.77,-6.26,;22.3,-6.71,;22.6,-8.11,;21.23,-7.48,;19.68,-8.13,;19.47,-6.75,;20.96,-6.11,;21.02,-4.47,;21.48,-5.59,;26.43,-6.99,;27.19,-8.35,)| 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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Compound was tested for its binding affinity against nicotinic receptor in synaptic membrane fractions from rat cerebral cortices.				Bioorg Med Chem Lett 9: 2795-800 (1999) BindingDB Entry DOI: 10.7270/Q26H4GM1
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (RAT)	BDBM50081733 (3-(3-Methyl-isoxazol-5-ylmethylene)-1-aza-bicyclo[...) Show SMILES Cc1cc(\C=C2/CN3CCC2CC3)on1 |THB:4:5:11.12:9.8,(26.44,-10.99,;26.13,-9.47,;24.73,-8.83,;24.91,-7.3,;23.77,-6.26,;22.3,-6.71,;22.6,-8.11,;21.23,-7.48,;19.68,-8.13,;19.47,-6.75,;20.96,-6.11,;21.02,-4.47,;21.48,-5.59,;26.43,-6.99,;27.19,-8.35,)| 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	658	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)	BDBM50081733 (3-(3-Methyl-isoxazol-5-ylmethylene)-1-aza-bicyclo[...) Show SMILES Cc1cc(\C=C2/CN3CCC2CC3)on1 |THB:4:5:11.12:9.8,(26.44,-10.99,;26.13,-9.47,;24.73,-8.83,;24.91,-7.3,;23.77,-6.26,;22.3,-6.71,;22.6,-8.11,;21.23,-7.48,;19.68,-8.13,;19.47,-6.75,;20.96,-6.11,;21.02,-4.47,;21.48,-5.59,;26.43,-6.99,;27.19,-8.35,)| 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	1.00E+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
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit (Homo sapiens (Human))	BDBM50081733 (3-(3-Methyl-isoxazol-5-ylmethylene)-1-aza-bicyclo[...) Show SMILES Cc1cc(\C=C2/CN3CCC2CC3)on1 |THB:4:5:11.12:9.8,(26.44,-10.99,;26.13,-9.47,;24.73,-8.83,;24.91,-7.3,;23.77,-6.26,;22.3,-6.71,;22.6,-8.11,;21.23,-7.48,;19.68,-8.13,;19.47,-6.75,;20.96,-6.11,;21.02,-4.47,;21.48,-5.59,;26.43,-6.99,;27.19,-8.35,)| 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	1.90	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