BDBM50176733 1-(3-methoxyquinuclidin-3-yl)-3-phenyloct-1-yn-3-ol::CHEMBL199821

SMILES: CCCCCC(O)(C#CC1(CN2CCC1CC2)OC)c1ccccc1

InChI Key: InChIKey=ROGNPHYAHLESSZ-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50176733   

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 M3 (Homo sapiens (Human))	BDBM50176733 (1-(3-methoxyquinuclidin-3-yl)-3-phenyloct-1-yn-3-o...) Show SMILES CCCCCC(O)(C#CC1(CN2CCC1CC2)OC)c1ccccc1 |THB:17:9:12.13:16.15,(11.05,-11.38,;9.96,-12.47,;8.47,-12.07,;8.08,-10.58,;9.17,-9.49,;8.77,-8,;8.38,-6.51,;10.27,-7.61,;11.76,-7.21,;13.26,-6.81,;13.45,-8.19,;14.99,-7.54,;16.36,-8.17,;16.08,-6.77,;14.73,-6.17,;14.8,-4.53,;15.24,-5.64,;12.85,-5.32,;11.36,-4.93,;7.28,-8.4,;6.19,-7.31,;4.7,-7.7,;4.3,-9.19,;5.39,-10.29,;6.88,-9.89,)| Show InChI InChI=1S/C22H31NO2/c1-3-4-8-13-21(24,19-9-6-5-7-10-19)14-15-22(25-2)18-23-16-11-20(22)12-17-23/h5-7,9-10,20,24H,3-4,8,11-13,16-18H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Binding affinity to human muscarinic M3 receptor				Bioorg Med Chem Lett 16: 373-7 (2005) Article DOI: 10.1016/j.bmcl.2005.09.079 BindingDB Entry DOI: 10.7270/Q2T72J70
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50176733 (1-(3-methoxyquinuclidin-3-yl)-3-phenyloct-1-yn-3-o...) Show SMILES CCCCCC(O)(C#CC1(CN2CCC1CC2)OC)c1ccccc1 |THB:17:9:12.13:16.15,(11.05,-11.38,;9.96,-12.47,;8.47,-12.07,;8.08,-10.58,;9.17,-9.49,;8.77,-8,;8.38,-6.51,;10.27,-7.61,;11.76,-7.21,;13.26,-6.81,;13.45,-8.19,;14.99,-7.54,;16.36,-8.17,;16.08,-6.77,;14.73,-6.17,;14.8,-4.53,;15.24,-5.64,;12.85,-5.32,;11.36,-4.93,;7.28,-8.4,;6.19,-7.31,;4.7,-7.7,;4.3,-9.19,;5.39,-10.29,;6.88,-9.89,)| Show InChI InChI=1S/C22H31NO2/c1-3-4-8-13-21(24,19-9-6-5-7-10-19)14-15-22(25-2)18-23-16-11-20(22)12-17-23/h5-7,9-10,20,24H,3-4,8,11-13,16-18H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Binding affinity to human muscarinic M2 receptor				Bioorg Med Chem Lett 16: 373-7 (2005) Article DOI: 10.1016/j.bmcl.2005.09.079 BindingDB Entry DOI: 10.7270/Q2T72J70
					More data for this Ligand-Target Pair