BDBM50081728 3-[1-{3-[4-(4-Methoxy-benzyloxy)-phenyl]-isoxazol-5-yl}-meth-(E)-ylidene]-1-aza-bicyclo[2.2.2]octane::CHEMBL96290

SMILES: COc1ccc(COc2ccc(cc2)-c2cc(\C=C3\CN4CCC3CC4)on2)cc1

InChI Key: InChIKey=VUNFWSNZRZSOAP-STZFKDTASA-N

Data: 1 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 1 hit for monomerid = 50081728   

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
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50081728 (3-[1-{3-[4-(4-Methoxy-benzyloxy)-phenyl]-isoxazol-...) Show SMILES COc1ccc(COc2ccc(cc2)-c2cc(\C=C3\CN4CCC3CC4)on2)cc1 |(27.23,-4.04,;28.76,-3.82,;29.69,-5.04,;31.24,-4.84,;32.18,-6.07,;31.6,-7.5,;32.55,-8.72,;34.08,-8.52,;35.01,-9.72,;36.53,-9.53,;37.47,-10.74,;36.89,-12.16,;35.37,-12.37,;34.43,-11.14,;37.81,-13.37,;37.39,-14.82,;38.66,-15.69,;38.69,-17.24,;37.34,-18.01,;37.34,-19.53,;36,-20.3,;34.69,-19.53,;34.69,-18.01,;36,-17.24,;35.27,-18.94,;36.75,-18.53,;39.85,-14.75,;39.34,-13.32,;30.07,-7.71,;29.11,-6.5,)| Show InChI InChI=1S/C25H26N2O3/c1-28-22-6-2-18(3-7-22)17-29-23-8-4-20(5-9-23)25-15-24(30-26-25)14-21-16-27-12-10-19(21)11-13-27/h2-9,14-15,19H,10-13,16-17H2,1H3/b21-14-	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description The compound was tested for its binding affinity against M1 human recombinant muscarinic receptor in CHO cells.				Bioorg Med Chem Lett 9: 2795-800 (1999) BindingDB Entry DOI: 10.7270/Q26H4GM1
					More data for this Ligand-Target Pair