Compile Data Set for Download or QSAR

Found 78 hits Enz. Inhib. hit(s) with all data for entry = 50037644   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50176723 ((R)-3-(3-methoxyquinuclidin-3-yl)-1,1-di(thiophen-...) Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1cccs1)c1cccs1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(-4.55,6.62,;-3.06,6.24,;-2.65,4.75,;-2.46,3.37,;-.93,4.03,;.43,3.4,;.16,4.79,;-1.19,5.39,;-1.12,7.02,;-.67,5.92,;-4.15,4.35,;-5.64,3.96,;-7.13,3.56,;-7.52,5.04,;-8.62,3.16,;-9.16,1.72,;-10.68,1.79,;-11.09,3.3,;-9.81,4.14,;-6.73,2.08,;-5.29,1.53,;-5.36,.02,;-6.86,-.39,;-7.7,.89,)| Show InChI InChI=1S/C19H21NO2S2/c1-22-18(14-20-10-6-15(18)7-11-20)8-9-19(21,16-4-2-12-23-16)17-5-3-13-24-17/h2-5,12-13,15,21H,6-7,10-11,14H2,1H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0500	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 M3 (Homo sapiens (Human))	BDBM50176735 ((R)-3-(3-methoxyquinuclidin-3-yl)-1,1-di(thiophen-...) Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1ccsc1)c1ccsc1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(9.1,6.91,;10.59,6.52,;11,5.02,;11.19,3.64,;12.73,4.3,;14.09,3.67,;13.82,5.06,;12.47,5.67,;12.54,7.31,;12.98,6.2,;9.5,4.63,;8,4.23,;6.51,3.83,;6.11,5.32,;5.02,3.44,;4.48,2,;2.91,2.09,;2.52,3.58,;3.83,4.41,;6.91,2.35,;8.33,1.8,;8.24,.24,;6.76,-.15,;5.94,1.16,)| Show InChI InChI=1S/C19H21NO2S2/c1-22-18(14-20-8-2-15(18)3-9-20)6-7-19(21,16-4-10-23-12-16)17-5-11-24-13-17/h4-5,10-13,15,21H,2-3,8-9,14H2,1H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0800	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 M3 (Homo sapiens (Human))	BDBM50176732 ((R)-3-(3-methoxyquinuclidin-3-yl)-1,1-diphenylprop...) Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1ccccc1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(-2.54,5.9,;-1.05,5.51,;-.64,4.02,;-.44,2.64,;1.09,3.3,;2.46,2.67,;2.18,4.06,;.83,4.66,;.9,6.3,;1.34,5.19,;-2.14,3.62,;-3.63,3.22,;-5.12,2.83,;-5.52,4.31,;-4.73,1.34,;-5.81,.25,;-5.42,-1.23,;-3.93,-1.63,;-2.84,-.54,;-3.24,.94,;-6.61,2.43,;-7.7,3.53,;-9.19,3.13,;-9.59,1.64,;-8.5,.54,;-7.01,.94,)| Show InChI InChI=1S/C23H25NO2/c1-26-22(18-24-16-12-19(22)13-17-24)14-15-23(25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,25H,12-13,16-18H2,1H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	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))	BDBM50176723 ((R)-3-(3-methoxyquinuclidin-3-yl)-1,1-di(thiophen-...) Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1cccs1)c1cccs1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(-4.55,6.62,;-3.06,6.24,;-2.65,4.75,;-2.46,3.37,;-.93,4.03,;.43,3.4,;.16,4.79,;-1.19,5.39,;-1.12,7.02,;-.67,5.92,;-4.15,4.35,;-5.64,3.96,;-7.13,3.56,;-7.52,5.04,;-8.62,3.16,;-9.16,1.72,;-10.68,1.79,;-11.09,3.3,;-9.81,4.14,;-6.73,2.08,;-5.29,1.53,;-5.36,.02,;-6.86,-.39,;-7.7,.89,)| Show InChI InChI=1S/C19H21NO2S2/c1-22-18(14-20-10-6-15(18)7-11-20)8-9-19(21,16-4-2-12-23-16)17-5-3-13-24-17/h2-5,12-13,15,21H,6-7,10-11,14H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.200	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
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50176718 (1-cyclohexyl-3-((R)-3-methoxyquinuclidin-3-yl)-1-p...) Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(C1CCCCC1)c1ccccc1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(11.35,5.74,;12.84,5.36,;13.25,3.86,;13.44,2.49,;14.97,3.14,;16.34,2.52,;16.06,3.9,;14.71,4.51,;14.78,6.14,;15.23,5.04,;11.75,3.47,;10.26,3.07,;8.77,2.68,;8.38,4.16,;9.16,1.19,;8.06,.11,;8.45,-1.37,;9.93,-1.78,;11.03,-.69,;10.64,.8,;7.28,2.28,;6.19,3.37,;4.71,2.98,;4.3,1.49,;5.39,.39,;6.88,.8,)| Show InChI InChI=1S/C23H31NO2/c1-26-22(18-24-16-12-19(22)13-17-24)14-15-23(25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2,4-5,8-9,19,21,25H,3,6-7,10-13,16-18H2,1H3/t22-,23?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	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 M3 (Homo sapiens (Human))	BDBM50176712 (1-cyclopentyl-3-(3-methoxyquinuclidin-3-yl)-1-phen...) Show SMILES COC1(CN2CCC1CC2)C#CC(O)(C1CCCC1)c1ccccc1 |THB:1:2:5.6:9.8,(26.6,5.4,;28.09,5.01,;28.5,3.51,;28.69,2.14,;30.23,2.79,;31.59,2.16,;31.32,3.55,;29.97,4.16,;30.04,5.8,;30.48,4.69,;27,3.12,;25.5,2.72,;24.01,2.33,;23.61,3.81,;24.41,.84,;23.43,-.35,;24.27,-1.64,;25.76,-1.25,;25.84,.29,;22.52,1.93,;21.42,3.02,;19.94,2.63,;19.53,1.13,;20.63,.04,;22.11,.44,)| Show InChI InChI=1S/C22H29NO2/c1-25-21(17-23-15-11-18(21)12-16-23)13-14-22(24,20-9-5-6-10-20)19-7-3-2-4-8-19/h2-4,7-8,18,20,24H,5-6,9-12,15-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	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 M3 (Homo sapiens (Human))	BDBM50176708 ((R)-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenyl-1-(...) Show SMILES CO[C@@]1(CN2CCC1CC2)C#C[C@@](O)(c1ccccc1)c1cccnc1 |wU:12.14,2.1,wD:12.13,2.11,THB:1:2:5.6:9.8,(16.23,-16.03,;17.77,-16,;18.57,-17.32,;19.13,-18.59,;20.42,-17.54,;21.91,-17.77,;21.26,-16.51,;19.8,-16.3,;19.42,-14.71,;20.15,-15.65,;17.23,-18.11,;15.91,-18.89,;14.58,-19.68,;13.8,-18.36,;13.26,-20.47,;11.91,-19.72,;10.59,-20.5,;10.61,-22.05,;11.96,-22.8,;13.28,-22.01,;15.37,-21,;16.9,-20.98,;17.68,-22.31,;16.93,-23.64,;15.4,-23.66,;14.6,-22.35,)| Show InChI InChI=1S/C22H24N2O2/c1-26-21(17-24-14-9-18(21)10-15-24)11-12-22(25,19-6-3-2-4-7-19)20-8-5-13-23-16-20/h2-8,13,16,18,25H,9-10,14-15,17H2,1H3/t21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	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 M3 (Homo sapiens (Human))	BDBM50176706 (1-(6-fluoropyridin-3-yl)-3-(3-methoxyquinuclidin-3...) Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1ccc(F)nc1 |THB:1:2:5.6:9.8,(7.82,-23.84,;9.35,-23.8,;10.15,-25.13,;10.72,-26.4,;12.01,-25.35,;13.49,-25.58,;12.85,-24.32,;11.39,-24.11,;11.01,-22.52,;11.74,-23.46,;8.82,-25.91,;7.5,-26.7,;6.17,-27.49,;5.39,-26.17,;4.85,-28.28,;3.5,-27.53,;2.18,-28.31,;2.2,-29.85,;3.55,-30.61,;4.87,-29.82,;6.96,-28.81,;8.48,-28.79,;9.27,-30.12,;8.52,-31.45,;9.31,-32.77,;6.98,-31.47,;6.19,-30.16,)| Show InChI InChI=1S/C22H23FN2O2/c1-27-21(16-25-13-9-17(21)10-14-25)11-12-22(26,18-5-3-2-4-6-18)19-7-8-20(23)24-15-19/h2-8,15,17,26H,9-10,13-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.320	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 M3 (Homo sapiens (Human))	BDBM50176729 (3-(3-methoxyquinuclidin-3-yl)-1-phenyl-1-(pyridin-...) Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1cccnc1 |THB:1:2:5.6:9.8,(-5.03,-13.2,;-3.49,-13.16,;-2.69,-14.49,;-2.13,-15.76,;-.83,-14.71,;.65,-14.94,;0,-13.68,;-1.46,-13.46,;-1.84,-11.87,;-1.11,-12.82,;-4.02,-15.27,;-5.35,-16.06,;-6.67,-16.85,;-7.46,-15.53,;-8,-17.64,;-9.35,-16.88,;-10.67,-17.67,;-10.65,-19.21,;-9.3,-19.97,;-7.98,-19.18,;-5.89,-18.17,;-4.36,-18.15,;-3.58,-19.47,;-4.32,-20.81,;-5.86,-20.83,;-6.65,-19.52,)| Show InChI InChI=1S/C22H24N2O2/c1-26-21(17-24-14-9-18(21)10-15-24)11-12-22(25,19-6-3-2-4-7-19)20-8-5-13-23-16-20/h2-8,13,16,18,25H,9-10,14-15,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	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))	BDBM50176735 ((R)-3-(3-methoxyquinuclidin-3-yl)-1,1-di(thiophen-...) Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1ccsc1)c1ccsc1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(9.1,6.91,;10.59,6.52,;11,5.02,;11.19,3.64,;12.73,4.3,;14.09,3.67,;13.82,5.06,;12.47,5.67,;12.54,7.31,;12.98,6.2,;9.5,4.63,;8,4.23,;6.51,3.83,;6.11,5.32,;5.02,3.44,;4.48,2,;2.91,2.09,;2.52,3.58,;3.83,4.41,;6.91,2.35,;8.33,1.8,;8.24,.24,;6.76,-.15,;5.94,1.16,)| Show InChI InChI=1S/C19H21NO2S2/c1-22-18(14-20-8-2-15(18)3-9-20)6-7-19(21,16-4-10-23-12-16)17-5-11-24-13-17/h4-5,10-13,15,21H,2-3,8-9,14H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.400	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
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50176717 (1-(3-methoxyquinuclidin-3-yl)-3-phenylhept-1-yn-3-...) Show SMILES CCCCC(O)(C#CC1(CN2CCC1CC2)OC)c1ccccc1 |THB:16:8:11.12:15.14,(25.15,-12.89,;23.66,-12.49,;23.27,-11,;24.36,-9.92,;23.96,-8.43,;23.57,-6.94,;25.45,-8.03,;26.94,-7.64,;28.44,-7.24,;28.64,-8.62,;30.17,-7.96,;31.54,-8.59,;31.26,-7.2,;29.91,-6.6,;29.98,-4.96,;30.42,-6.07,;28.03,-5.75,;26.54,-5.36,;22.47,-8.83,;21.38,-7.73,;19.89,-8.13,;19.49,-9.62,;20.58,-10.72,;22.07,-10.31,)| Show InChI InChI=1S/C21H29NO2/c1-3-4-12-20(23,18-8-6-5-7-9-18)13-14-21(24-2)17-22-15-10-19(21)11-16-22/h5-9,19,23H,3-4,10-12,15-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.630	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 M3 (Homo sapiens (Human))	BDBM50176726 (1-(2-fluoropyridin-3-yl)-3-(3-methoxyquinuclidin-3...) Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1cccnc1F |THB:1:2:5.6:9.8,(22.68,-23.08,;24.21,-23.04,;25.02,-24.36,;25.58,-25.63,;26.87,-24.58,;28.36,-24.82,;27.71,-23.56,;26.25,-23.34,;25.87,-21.75,;26.6,-22.69,;23.68,-25.15,;22.36,-25.94,;21.03,-26.73,;20.25,-25.41,;19.71,-27.52,;18.36,-26.76,;17.04,-27.55,;17.06,-29.09,;18.41,-29.85,;19.73,-29.06,;21.82,-28.05,;21.07,-29.39,;21.85,-30.71,;23.39,-30.69,;24.14,-29.35,;23.35,-28.03,;24.1,-26.68,)| Show InChI InChI=1S/C22H23FN2O2/c1-27-21(16-25-14-9-17(21)10-15-25)11-12-22(26,18-6-3-2-4-7-18)19-8-5-13-24-20(19)23/h2-8,13,17,26H,9-10,14-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	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))	BDBM50176708 ((R)-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenyl-1-(...) Show SMILES CO[C@@]1(CN2CCC1CC2)C#C[C@@](O)(c1ccccc1)c1cccnc1 |wU:12.14,2.1,wD:12.13,2.11,THB:1:2:5.6:9.8,(16.23,-16.03,;17.77,-16,;18.57,-17.32,;19.13,-18.59,;20.42,-17.54,;21.91,-17.77,;21.26,-16.51,;19.8,-16.3,;19.42,-14.71,;20.15,-15.65,;17.23,-18.11,;15.91,-18.89,;14.58,-19.68,;13.8,-18.36,;13.26,-20.47,;11.91,-19.72,;10.59,-20.5,;10.61,-22.05,;11.96,-22.8,;13.28,-22.01,;15.37,-21,;16.9,-20.98,;17.68,-22.31,;16.93,-23.64,;15.4,-23.66,;14.6,-22.35,)| Show InChI InChI=1S/C22H24N2O2/c1-26-21(17-24-14-9-18(21)10-15-24)11-12-22(25,19-6-3-2-4-7-19)20-8-5-13-23-16-20/h2-8,13,16,18,25H,9-10,14-15,17H2,1H3/t21-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	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
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50176732 ((R)-3-(3-methoxyquinuclidin-3-yl)-1,1-diphenylprop...) Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1ccccc1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(-2.54,5.9,;-1.05,5.51,;-.64,4.02,;-.44,2.64,;1.09,3.3,;2.46,2.67,;2.18,4.06,;.83,4.66,;.9,6.3,;1.34,5.19,;-2.14,3.62,;-3.63,3.22,;-5.12,2.83,;-5.52,4.31,;-4.73,1.34,;-5.81,.25,;-5.42,-1.23,;-3.93,-1.63,;-2.84,-.54,;-3.24,.94,;-6.61,2.43,;-7.7,3.53,;-9.19,3.13,;-9.59,1.64,;-8.5,.54,;-7.01,.94,)| Show InChI InChI=1S/C23H25NO2/c1-26-22(18-24-16-12-19(22)13-17-24)14-15-23(25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,25H,12-13,16-18H2,1H3/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	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
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50176711 ((R)-1,1-bis(3-fluorophenyl)-3-(3-methoxyquinuclidi...) Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1cccc(F)c1)c1cccc(F)c1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(26.22,-26.56,;27.7,-26.94,;28.12,-28.44,;28.31,-29.81,;29.84,-29.16,;31.21,-29.79,;30.93,-28.4,;29.58,-27.79,;29.65,-26.16,;30.1,-27.26,;26.62,-28.83,;25.13,-29.23,;23.63,-29.62,;23.24,-28.14,;22.14,-30.02,;21.74,-31.51,;20.25,-31.91,;19.16,-30.81,;19.57,-29.32,;18.48,-28.23,;21.05,-28.93,;24.03,-31.11,;22.94,-32.2,;23.34,-33.68,;24.82,-34.09,;25.91,-32.99,;27.4,-33.39,;25.51,-31.51,)| Show InChI InChI=1S/C23H23F2NO2/c1-28-22(16-26-12-8-17(22)9-13-26)10-11-23(27,18-4-2-6-20(24)14-18)19-5-3-7-21(25)15-19/h2-7,14-15,17,27H,8-9,12-13,16H2,1H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	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 M3 (Homo sapiens (Human))	BDBM50176704 (3-(3-methoxyquinuclidin-3-yl)-1-phenyl-1-(pyrimidi...) Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1cncnc1 |THB:1:2:5.6:9.8,(8.21,-34.77,;9.74,-34.74,;10.54,-36.06,;11.11,-37.33,;12.4,-36.28,;13.88,-36.51,;13.24,-35.25,;11.78,-35.04,;11.4,-33.45,;12.13,-34.39,;9.21,-36.85,;7.89,-37.63,;6.56,-38.42,;5.78,-37.1,;5.24,-39.21,;3.89,-38.46,;2.57,-39.24,;2.59,-40.78,;3.94,-41.54,;5.26,-40.75,;7.35,-39.74,;8.88,-39.72,;9.66,-41.04,;8.91,-42.38,;7.37,-42.4,;6.58,-41.09,)| Show InChI InChI=1S/C21H23N3O2/c1-26-20(15-24-11-7-17(20)8-12-24)9-10-21(25,18-5-3-2-4-6-18)19-13-22-16-23-14-19/h2-6,13-14,16-17,25H,7-8,11-12,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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 M3 (Homo sapiens (Human))	BDBM50176722 ((R)-1,1-bis(4-fluorophenyl)-3-(3-methoxyquinuclidi...) Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1ccc(F)cc1)c1ccc(F)cc1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(25.27,-13.99,;26.76,-14.38,;27.17,-15.87,;27.37,-17.25,;28.9,-16.59,;30.27,-17.22,;29.99,-15.83,;28.64,-15.23,;28.71,-13.59,;29.15,-14.7,;25.67,-16.27,;24.18,-16.66,;22.69,-17.06,;22.3,-15.57,;21.2,-17.46,;20.11,-16.36,;18.62,-16.76,;18.22,-18.25,;16.73,-18.64,;19.31,-19.34,;20.8,-18.94,;23.09,-18.55,;22,-19.63,;22.39,-21.12,;23.88,-21.52,;24.28,-23.01,;24.97,-20.43,;24.57,-18.95,)| Show InChI InChI=1S/C23H23F2NO2/c1-28-22(16-26-14-10-17(22)11-15-26)12-13-23(27,18-2-6-20(24)7-3-18)19-4-8-21(25)9-5-19/h2-9,17,27H,10-11,14-16H2,1H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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 M3 (Homo sapiens (Human))	BDBM50176714 (1-cyclobutyl-3-(3-methoxyquinuclidin-3-yl)-1-pheny...) Show SMILES COC1(CN2CCC1CC2)C#CC(O)(C1CCC1)c1ccccc1 |THB:1:2:5.6:9.8,(-3.4,-5.54,;-1.91,-5.93,;-1.5,-7.42,;-1.31,-8.8,;.23,-8.14,;1.59,-8.77,;1.32,-7.38,;-.03,-6.78,;.04,-5.14,;.48,-6.25,;-3,-7.82,;-4.49,-8.21,;-5.98,-8.61,;-6.38,-7.12,;-5.59,-10.1,;-6.36,-11.43,;-5.03,-12.2,;-4.26,-10.87,;-7.48,-9.01,;-8.57,-7.91,;-10.05,-8.31,;-10.46,-9.8,;-9.36,-10.9,;-7.88,-10.5,)| Show InChI InChI=1S/C21H27NO2/c1-24-20(16-22-14-10-17(20)11-15-22)12-13-21(23,19-8-5-9-19)18-6-3-2-4-7-18/h2-4,6-7,17,19,23H,5,8-11,14-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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 M3 (Homo sapiens (Human))	BDBM50176716 (3-(3-methoxyquinuclidin-3-yl)-1-phenyl-1-(pyridin-...) Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1ccncc1 |THB:1:2:5.6:9.8,(8.98,-12.42,;10.51,-12.38,;11.32,-13.7,;11.88,-14.97,;13.17,-13.92,;14.65,-14.16,;14.01,-12.9,;12.55,-12.68,;12.17,-11.1,;12.9,-12.04,;9.98,-14.49,;8.66,-15.28,;7.34,-16.07,;6.55,-14.75,;6.01,-16.85,;4.66,-16.1,;3.35,-16.88,;3.37,-18.43,;4.71,-19.18,;6.03,-18.39,;8.12,-17.38,;9.66,-17.37,;10.44,-18.69,;9.69,-20.03,;8.16,-20.06,;7.37,-18.73,)| Show InChI InChI=1S/C22H24N2O2/c1-26-21(17-24-15-9-18(21)10-16-24)11-12-22(25,19-5-3-2-4-6-19)20-7-13-23-14-8-20/h2-8,13-14,18,25H,9-10,15-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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 M3 (Homo sapiens (Human))	BDBM50165019 (4-(Diethylamino)-2-butynyl alpha-phenylcyclohexane...) Show SMILES CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	1.30	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))	BDBM50176729 (3-(3-methoxyquinuclidin-3-yl)-1-phenyl-1-(pyridin-...) Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1cccnc1 |THB:1:2:5.6:9.8,(-5.03,-13.2,;-3.49,-13.16,;-2.69,-14.49,;-2.13,-15.76,;-.83,-14.71,;.65,-14.94,;0,-13.68,;-1.46,-13.46,;-1.84,-11.87,;-1.11,-12.82,;-4.02,-15.27,;-5.35,-16.06,;-6.67,-16.85,;-7.46,-15.53,;-8,-17.64,;-9.35,-16.88,;-10.67,-17.67,;-10.65,-19.21,;-9.3,-19.97,;-7.98,-19.18,;-5.89,-18.17,;-4.36,-18.15,;-3.58,-19.47,;-4.32,-20.81,;-5.86,-20.83,;-6.65,-19.52,)| Show InChI InChI=1S/C22H24N2O2/c1-26-21(17-24-14-9-18(21)10-15-24)11-12-22(25,19-6-3-2-4-7-19)20-8-5-13-23-16-20/h2-8,13,16,18,25H,9-10,14-15,17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50109647 (2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...) Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	1.30	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))	BDBM50176718 (1-cyclohexyl-3-((R)-3-methoxyquinuclidin-3-yl)-1-p...) Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(C1CCCCC1)c1ccccc1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(11.35,5.74,;12.84,5.36,;13.25,3.86,;13.44,2.49,;14.97,3.14,;16.34,2.52,;16.06,3.9,;14.71,4.51,;14.78,6.14,;15.23,5.04,;11.75,3.47,;10.26,3.07,;8.77,2.68,;8.38,4.16,;9.16,1.19,;8.06,.11,;8.45,-1.37,;9.93,-1.78,;11.03,-.69,;10.64,.8,;7.28,2.28,;6.19,3.37,;4.71,2.98,;4.3,1.49,;5.39,.39,;6.88,.8,)| Show InChI InChI=1S/C23H31NO2/c1-26-22(18-24-16-12-19(22)13-17-24)14-15-23(25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2,4-5,8-9,19,21,25H,3,6-7,10-13,16-18H2,1H3/t22-,23?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50176704 (3-(3-methoxyquinuclidin-3-yl)-1-phenyl-1-(pyrimidi...) Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1cncnc1 |THB:1:2:5.6:9.8,(8.21,-34.77,;9.74,-34.74,;10.54,-36.06,;11.11,-37.33,;12.4,-36.28,;13.88,-36.51,;13.24,-35.25,;11.78,-35.04,;11.4,-33.45,;12.13,-34.39,;9.21,-36.85,;7.89,-37.63,;6.56,-38.42,;5.78,-37.1,;5.24,-39.21,;3.89,-38.46,;2.57,-39.24,;2.59,-40.78,;3.94,-41.54,;5.26,-40.75,;7.35,-39.74,;8.88,-39.72,;9.66,-41.04,;8.91,-42.38,;7.37,-42.4,;6.58,-41.09,)| Show InChI InChI=1S/C21H23N3O2/c1-26-20(15-24-11-7-17(20)8-12-24)9-10-21(25,18-5-3-2-4-6-18)19-13-22-16-23-14-19/h2-6,13-14,16-17,25H,7-8,11-12,15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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
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	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 M3 (Homo sapiens (Human))	BDBM50165008 ((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...) Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	3.20	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))	BDBM50176712 (1-cyclopentyl-3-(3-methoxyquinuclidin-3-yl)-1-phen...) Show SMILES COC1(CN2CCC1CC2)C#CC(O)(C1CCCC1)c1ccccc1 |THB:1:2:5.6:9.8,(26.6,5.4,;28.09,5.01,;28.5,3.51,;28.69,2.14,;30.23,2.79,;31.59,2.16,;31.32,3.55,;29.97,4.16,;30.04,5.8,;30.48,4.69,;27,3.12,;25.5,2.72,;24.01,2.33,;23.61,3.81,;24.41,.84,;23.43,-.35,;24.27,-1.64,;25.76,-1.25,;25.84,.29,;22.52,1.93,;21.42,3.02,;19.94,2.63,;19.53,1.13,;20.63,.04,;22.11,.44,)| Show InChI InChI=1S/C22H29NO2/c1-25-21(17-23-15-11-18(21)12-16-23)13-14-22(24,20-9-5-6-10-20)19-7-3-2-4-8-19/h2-4,7-8,18,20,24H,5-6,9-12,15-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	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
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50176726 (1-(2-fluoropyridin-3-yl)-3-(3-methoxyquinuclidin-3...) Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1cccnc1F |THB:1:2:5.6:9.8,(22.68,-23.08,;24.21,-23.04,;25.02,-24.36,;25.58,-25.63,;26.87,-24.58,;28.36,-24.82,;27.71,-23.56,;26.25,-23.34,;25.87,-21.75,;26.6,-22.69,;23.68,-25.15,;22.36,-25.94,;21.03,-26.73,;20.25,-25.41,;19.71,-27.52,;18.36,-26.76,;17.04,-27.55,;17.06,-29.09,;18.41,-29.85,;19.73,-29.06,;21.82,-28.05,;21.07,-29.39,;21.85,-30.71,;23.39,-30.69,;24.14,-29.35,;23.35,-28.03,;24.1,-26.68,)| Show InChI InChI=1S/C22H23FN2O2/c1-27-21(16-25-14-9-17(21)10-15-25)11-12-22(26,18-6-3-2-4-7-18)19-8-5-13-24-20(19)23/h2-8,13,17,26H,9-10,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	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
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50176710 ((S)-1-cyclohexyl-3-((R)-3-methoxyquinuclidin-3-yl)...) Show SMILES CO[C@@]1(CN2CCC1CC2)C#C[C@](O)(C1CCCCC1)c1ccccc1 |wU:12.14,2.1,wD:12.13,2.11,THB:1:2:5.6:9.8,(13.9,-6.16,;15.38,-6.55,;15.79,-8.04,;15.99,-9.42,;17.52,-8.76,;18.88,-9.39,;18.61,-8,;17.26,-7.4,;17.33,-5.76,;17.77,-6.87,;14.3,-8.44,;12.81,-8.83,;11.32,-9.23,;10.92,-7.74,;11.71,-10.71,;10.61,-11.8,;11,-13.27,;12.48,-13.68,;13.57,-12.6,;13.18,-11.11,;9.83,-9.62,;8.73,-8.53,;7.25,-8.93,;6.85,-10.42,;7.94,-11.51,;9.42,-11.11,)| Show InChI InChI=1S/C23H31NO2/c1-26-22(18-24-16-12-19(22)13-17-24)14-15-23(25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2,4-5,8-9,19,21,25H,3,6-7,10-13,16-18H2,1H3/t22-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	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 M3 (Homo sapiens (Human))	BDBM50176725 (1-cyclopentyl-3-(3-methoxyquinuclidin-3-yl)-1-(pyr...) Show SMILES COC1(CN2CCC1CC2)C#CC(O)(C1CCCC1)c1ccccn1 |THB:1:2:5.6:9.8,(-4.54,-3.86,;-3.01,-3.86,;-2.24,-5.21,;-1.71,-6.49,;-.39,-5.47,;1.09,-5.74,;.48,-4.47,;-.98,-4.22,;-1.32,-2.62,;-.61,-3.58,;-3.59,-5.96,;-4.94,-6.72,;-6.28,-7.47,;-7.03,-6.13,;-5.53,-8.81,;-6.17,-10.21,;-5.04,-11.26,;-3.7,-10.5,;-4,-9,;-7.63,-8.23,;-7.65,-9.77,;-8.99,-10.53,;-10.32,-9.74,;-10.3,-8.19,;-8.96,-7.44,)| Show InChI InChI=1S/C21H28N2O2/c1-25-20(16-23-14-9-17(20)10-15-23)11-12-21(24,18-6-2-3-7-18)19-8-4-5-13-22-19/h4-5,8,13,17-18,24H,2-3,6-7,9-10,14-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	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))	BDBM50165008 ((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...) Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4	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
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50176706 (1-(6-fluoropyridin-3-yl)-3-(3-methoxyquinuclidin-3...) Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1ccc(F)nc1 |THB:1:2:5.6:9.8,(7.82,-23.84,;9.35,-23.8,;10.15,-25.13,;10.72,-26.4,;12.01,-25.35,;13.49,-25.58,;12.85,-24.32,;11.39,-24.11,;11.01,-22.52,;11.74,-23.46,;8.82,-25.91,;7.5,-26.7,;6.17,-27.49,;5.39,-26.17,;4.85,-28.28,;3.5,-27.53,;2.18,-28.31,;2.2,-29.85,;3.55,-30.61,;4.87,-29.82,;6.96,-28.81,;8.48,-28.79,;9.27,-30.12,;8.52,-31.45,;9.31,-32.77,;6.98,-31.47,;6.19,-30.16,)| Show InChI InChI=1S/C22H23FN2O2/c1-27-21(16-25-13-9-17(21)10-14-25)11-12-22(26,18-5-3-2-4-6-18)19-7-8-20(23)24-15-19/h2-8,15,17,26H,9-10,13-14,16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	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
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50176711 ((R)-1,1-bis(3-fluorophenyl)-3-(3-methoxyquinuclidi...) Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1cccc(F)c1)c1cccc(F)c1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(26.22,-26.56,;27.7,-26.94,;28.12,-28.44,;28.31,-29.81,;29.84,-29.16,;31.21,-29.79,;30.93,-28.4,;29.58,-27.79,;29.65,-26.16,;30.1,-27.26,;26.62,-28.83,;25.13,-29.23,;23.63,-29.62,;23.24,-28.14,;22.14,-30.02,;21.74,-31.51,;20.25,-31.91,;19.16,-30.81,;19.57,-29.32,;18.48,-28.23,;21.05,-28.93,;24.03,-31.11,;22.94,-32.2,;23.34,-33.68,;24.82,-34.09,;25.91,-32.99,;27.4,-33.39,;25.51,-31.51,)| Show InChI InChI=1S/C23H23F2NO2/c1-28-22(16-26-12-8-17(22)9-13-26)10-11-23(27,18-4-2-6-20(24)14-18)19-5-3-7-21(25)15-19/h2-7,14-15,17,27H,8-9,12-13,16H2,1H3/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 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
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50176716 (3-(3-methoxyquinuclidin-3-yl)-1-phenyl-1-(pyridin-...) Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1ccncc1 |THB:1:2:5.6:9.8,(8.98,-12.42,;10.51,-12.38,;11.32,-13.7,;11.88,-14.97,;13.17,-13.92,;14.65,-14.16,;14.01,-12.9,;12.55,-12.68,;12.17,-11.1,;12.9,-12.04,;9.98,-14.49,;8.66,-15.28,;7.34,-16.07,;6.55,-14.75,;6.01,-16.85,;4.66,-16.1,;3.35,-16.88,;3.37,-18.43,;4.71,-19.18,;6.03,-18.39,;8.12,-17.38,;9.66,-17.37,;10.44,-18.69,;9.69,-20.03,;8.16,-20.06,;7.37,-18.73,)| Show InChI InChI=1S/C22H24N2O2/c1-26-21(17-24-15-9-18(21)10-16-24)11-12-22(25,19-5-3-2-4-6-19)20-7-13-23-14-8-20/h2-8,13-14,18,25H,9-10,15-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 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
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50176727 (3-(3-methoxyquinuclidin-3-yl)-1-phenyl-1-(pyridazi...) Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1cccnn1 |THB:1:2:5.6:9.8,(-4.65,-34.66,;-3.11,-34.63,;-2.3,-35.95,;-1.74,-37.23,;-.45,-36.17,;1.04,-36.41,;.39,-35.14,;-1.07,-34.93,;-1.45,-33.34,;-.72,-34.28,;-3.64,-36.74,;-4.97,-37.53,;-6.29,-38.32,;-7.08,-37,;-7.62,-39.11,;-8.97,-38.35,;-10.29,-39.14,;-10.27,-40.69,;-8.92,-41.44,;-7.6,-40.65,;-5.51,-39.64,;-3.98,-39.62,;-3.19,-40.95,;-3.94,-42.28,;-5.48,-42.31,;-6.27,-40.99,)| Show InChI InChI=1S/C21H23N3O2/c1-26-20(16-24-14-9-17(20)10-15-24)11-12-21(25,18-6-3-2-4-7-18)19-8-5-13-22-23-19/h2-8,13,17,25H,9-10,14-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.90	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 M3 (Homo sapiens (Human))	BDBM50176709 ((R)-3-(3-methoxyquinuclidin-3-yl)-1,1-dim-tolylpro...) Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1cccc(C)c1)c1cccc(C)c1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(-3.03,-42.39,;-1.54,-42.78,;-1.13,-44.27,;-.93,-45.65,;.6,-44.99,;1.97,-45.62,;1.69,-44.23,;.34,-43.62,;.41,-41.99,;.86,-43.09,;-2.63,-44.67,;-4.12,-45.06,;-5.61,-45.46,;-6.01,-43.97,;-7.11,-45.85,;-7.51,-47.34,;-8.99,-47.75,;-10.09,-46.65,;-9.68,-45.16,;-10.77,-44.07,;-8.2,-44.76,;-5.22,-46.95,;-6.31,-48.03,;-5.91,-49.52,;-4.42,-49.92,;-3.33,-48.83,;-1.84,-49.22,;-3.73,-47.35,)| Show InChI InChI=1S/C25H29NO2/c1-19-6-4-8-22(16-19)25(27,23-9-5-7-20(2)17-23)13-12-24(28-3)18-26-14-10-21(24)11-15-26/h4-9,16-17,21,27H,10-11,14-15,18H2,1-3H3/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	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 M3 (Homo sapiens (Human))	BDBM50176705 ((R)-1,1-bis(4-chlorophenyl)-3-(3-methoxyquinuclidi...) Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(-1.92,-25.58,;-.43,-25.96,;-.02,-27.46,;.18,-28.83,;1.71,-28.18,;3.08,-28.81,;2.8,-27.42,;1.45,-26.81,;1.52,-25.18,;1.97,-26.28,;-1.51,-27.85,;-3.01,-28.25,;-4.5,-28.64,;-4.89,-27.16,;-5.99,-29.04,;-7.08,-27.95,;-8.57,-28.34,;-8.97,-29.83,;-10.46,-30.23,;-7.88,-30.93,;-6.39,-30.53,;-4.1,-30.13,;-5.19,-31.22,;-4.8,-32.7,;-3.31,-33.11,;-2.91,-34.59,;-2.22,-32.01,;-2.62,-30.53,)| Show InChI InChI=1S/C23H23Cl2NO2/c1-28-22(16-26-14-10-17(22)11-15-26)12-13-23(27,18-2-6-20(24)7-3-18)19-4-8-21(25)9-5-19/h2-9,17,27H,10-11,14-16H2,1H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	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 M3 (Homo sapiens (Human))	BDBM50176715 (3-(3-methoxyquinuclidin-3-yl)-1-phenyl-1-(pyridin-...) Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1ccccn1 |THB:1:2:5.6:9.8,(24.36,-2.96,;25.9,-2.93,;26.7,-4.25,;27.26,-5.52,;28.56,-4.47,;30.04,-4.7,;29.4,-3.44,;27.93,-3.23,;27.56,-1.64,;28.29,-2.58,;25.37,-5.04,;24.04,-5.83,;22.72,-6.61,;21.93,-5.29,;21.39,-7.4,;20.04,-6.65,;18.73,-7.43,;18.75,-8.98,;20.09,-9.73,;21.41,-8.94,;23.5,-7.93,;22.75,-9.26,;23.53,-10.59,;25.07,-10.57,;25.83,-9.23,;25.04,-7.91,)| Show InChI InChI=1S/C22H24N2O2/c1-26-21(17-24-15-10-18(21)11-16-24)12-13-22(25,19-7-3-2-4-8-19)20-9-5-6-14-23-20/h2-9,14,18,25H,10-11,15-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	10	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))	BDBM50176714 (1-cyclobutyl-3-(3-methoxyquinuclidin-3-yl)-1-pheny...) Show SMILES COC1(CN2CCC1CC2)C#CC(O)(C1CCC1)c1ccccc1 |THB:1:2:5.6:9.8,(-3.4,-5.54,;-1.91,-5.93,;-1.5,-7.42,;-1.31,-8.8,;.23,-8.14,;1.59,-8.77,;1.32,-7.38,;-.03,-6.78,;.04,-5.14,;.48,-6.25,;-3,-7.82,;-4.49,-8.21,;-5.98,-8.61,;-6.38,-7.12,;-5.59,-10.1,;-6.36,-11.43,;-5.03,-12.2,;-4.26,-10.87,;-7.48,-9.01,;-8.57,-7.91,;-10.05,-8.31,;-10.46,-9.8,;-9.36,-10.9,;-7.88,-10.5,)| Show InChI InChI=1S/C21H27NO2/c1-24-20(16-22-14-10-17(20)11-15-22)12-13-21(23,19-8-5-9-19)18-6-3-2-4-7-18/h2-4,6-7,17,19,23H,5,8-11,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	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
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50176720 ((S)-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenyl-1-(...) Show SMILES CO[C@@]1(CN2CCC1CC2)C#C[C@](O)(c1ccccc1)c1cccnc1 |wU:12.13,2.1,wD:12.14,2.11,THB:1:2:5.6:9.8,(-3.21,-15.79,;-1.68,-15.76,;-.87,-17.08,;-.31,-18.35,;.98,-17.3,;2.47,-17.53,;1.82,-16.27,;.36,-16.06,;-.02,-14.47,;.71,-15.41,;-2.21,-17.87,;-3.53,-18.65,;-4.86,-19.44,;-5.64,-18.12,;-6.18,-20.23,;-7.53,-19.48,;-8.85,-20.26,;-8.83,-21.81,;-7.48,-22.56,;-6.16,-21.77,;-4.07,-20.76,;-2.54,-20.74,;-1.76,-22.07,;-2.51,-23.4,;-4.05,-23.42,;-4.84,-22.11,)| Show InChI InChI=1S/C22H24N2O2/c1-26-21(17-24-14-9-18(21)10-15-24)11-12-22(25,19-6-3-2-4-7-19)20-8-5-13-23-16-20/h2-8,13,16,18,25H,9-10,14-15,17H2,1H3/t21-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	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))	BDBM50165019 (4-(Diethylamino)-2-butynyl alpha-phenylcyclohexane...) Show SMILES CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	16	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
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50176710 ((S)-1-cyclohexyl-3-((R)-3-methoxyquinuclidin-3-yl)...) Show SMILES CO[C@@]1(CN2CCC1CC2)C#C[C@](O)(C1CCCCC1)c1ccccc1 |wU:12.14,2.1,wD:12.13,2.11,THB:1:2:5.6:9.8,(13.9,-6.16,;15.38,-6.55,;15.79,-8.04,;15.99,-9.42,;17.52,-8.76,;18.88,-9.39,;18.61,-8,;17.26,-7.4,;17.33,-5.76,;17.77,-6.87,;14.3,-8.44,;12.81,-8.83,;11.32,-9.23,;10.92,-7.74,;11.71,-10.71,;10.61,-11.8,;11,-13.27,;12.48,-13.68,;13.57,-12.6,;13.18,-11.11,;9.83,-9.62,;8.73,-8.53,;7.25,-8.93,;6.85,-10.42,;7.94,-11.51,;9.42,-11.11,)| Show InChI InChI=1S/C23H31NO2/c1-26-22(18-24-16-12-19(22)13-17-24)14-15-23(25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2,4-5,8-9,19,21,25H,3,6-7,10-13,16-18H2,1H3/t22-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50176707 (1-cyclobutyl-3-(3-methoxyquinuclidin-3-yl)-1-(pyri...) Show SMILES COC1(CN2CCC1CC2)C#CC(O)(C1CCC1)c1ccccn1 |THB:1:2:5.6:9.8,(8.86,-3.54,;10.4,-3.54,;11.18,-4.88,;11.71,-6.17,;13.03,-5.15,;14.51,-5.42,;13.89,-4.14,;12.44,-3.89,;12.1,-2.29,;12.8,-3.25,;9.82,-5.64,;8.47,-6.4,;7.13,-7.15,;6.37,-5.81,;7.88,-8.5,;7.46,-9.97,;8.94,-10.39,;9.36,-8.91,;5.78,-7.91,;5.76,-9.45,;4.42,-10.21,;3.09,-9.42,;3.11,-7.87,;4.45,-7.12,)| Show InChI InChI=1S/C20H26N2O2/c1-24-19(15-22-13-8-16(19)9-14-22)10-11-20(23,17-5-4-6-17)18-7-2-3-12-21-18/h2-3,7,12,16-17,23H,4-6,8-9,13-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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))	BDBM50176722 ((R)-1,1-bis(4-fluorophenyl)-3-(3-methoxyquinuclidi...) Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1ccc(F)cc1)c1ccc(F)cc1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(25.27,-13.99,;26.76,-14.38,;27.17,-15.87,;27.37,-17.25,;28.9,-16.59,;30.27,-17.22,;29.99,-15.83,;28.64,-15.23,;28.71,-13.59,;29.15,-14.7,;25.67,-16.27,;24.18,-16.66,;22.69,-17.06,;22.3,-15.57,;21.2,-17.46,;20.11,-16.36,;18.62,-16.76,;18.22,-18.25,;16.73,-18.64,;19.31,-19.34,;20.8,-18.94,;23.09,-18.55,;22,-19.63,;22.39,-21.12,;23.88,-21.52,;24.28,-23.01,;24.97,-20.43,;24.57,-18.95,)| Show InChI InChI=1S/C23H23F2NO2/c1-28-22(16-26-14-10-17(22)11-15-26)12-13-23(27,18-2-6-20(24)7-3-18)19-4-8-21(25)9-5-19/h2-9,17,27H,10-11,14-16H2,1H3/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50176717 (1-(3-methoxyquinuclidin-3-yl)-3-phenylhept-1-yn-3-...) Show SMILES CCCCC(O)(C#CC1(CN2CCC1CC2)OC)c1ccccc1 |THB:16:8:11.12:15.14,(25.15,-12.89,;23.66,-12.49,;23.27,-11,;24.36,-9.92,;23.96,-8.43,;23.57,-6.94,;25.45,-8.03,;26.94,-7.64,;28.44,-7.24,;28.64,-8.62,;30.17,-7.96,;31.54,-8.59,;31.26,-7.2,;29.91,-6.6,;29.98,-4.96,;30.42,-6.07,;28.03,-5.75,;26.54,-5.36,;22.47,-8.83,;21.38,-7.73,;19.89,-8.13,;19.49,-9.62,;20.58,-10.72,;22.07,-10.31,)| Show InChI InChI=1S/C21H29NO2/c1-3-4-12-20(23,18-8-6-5-7-9-18)13-14-21(24-2)17-22-15-10-19(21)11-16-22/h5-9,19,23H,3-4,10-12,15-17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	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
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50176727 (3-(3-methoxyquinuclidin-3-yl)-1-phenyl-1-(pyridazi...) Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1cccnn1 |THB:1:2:5.6:9.8,(-4.65,-34.66,;-3.11,-34.63,;-2.3,-35.95,;-1.74,-37.23,;-.45,-36.17,;1.04,-36.41,;.39,-35.14,;-1.07,-34.93,;-1.45,-33.34,;-.72,-34.28,;-3.64,-36.74,;-4.97,-37.53,;-6.29,-38.32,;-7.08,-37,;-7.62,-39.11,;-8.97,-38.35,;-10.29,-39.14,;-10.27,-40.69,;-8.92,-41.44,;-7.6,-40.65,;-5.51,-39.64,;-3.98,-39.62,;-3.19,-40.95,;-3.94,-42.28,;-5.48,-42.31,;-6.27,-40.99,)| Show InChI InChI=1S/C21H23N3O2/c1-26-20(16-24-14-9-17(20)10-15-24)11-12-21(25,18-6-3-2-4-7-18)19-8-5-13-22-23-19/h2-8,13,17,25H,9-10,14-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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
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 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
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50176719 (4-(3-methoxyquinuclidin-3-yl)-1,2-diphenylbut-3-yn...) Show SMILES COC1(CN2CCC1CC2)C#CC(O)(Cc1ccccc1)c1ccccc1 |THB:1:2:5.6:9.8,(-3.05,-15.66,;-1.56,-16.04,;-1.15,-17.54,;-.96,-18.91,;.58,-18.26,;1.94,-18.89,;1.67,-17.5,;.32,-16.89,;.39,-15.26,;.83,-16.36,;-2.65,-17.93,;-4.14,-18.33,;-5.63,-18.72,;-6.03,-17.24,;-5.24,-20.21,;-3.75,-20.61,;-3.36,-22.1,;-1.88,-22.5,;-.79,-21.42,;-1.19,-19.92,;-2.67,-19.53,;-7.12,-19.12,;-8.22,-18.03,;-9.7,-18.42,;-10.1,-19.91,;-9.01,-21.01,;-7.53,-20.61,)| Show InChI InChI=1S/C24H27NO2/c1-27-24(19-25-16-12-22(24)13-17-25)15-14-23(26,21-10-6-3-7-11-21)18-20-8-4-2-5-9-20/h2-11,22,26H,12-13,16-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 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))	BDBM50176709 ((R)-3-(3-methoxyquinuclidin-3-yl)-1,1-dim-tolylpro...) Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1cccc(C)c1)c1cccc(C)c1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(-3.03,-42.39,;-1.54,-42.78,;-1.13,-44.27,;-.93,-45.65,;.6,-44.99,;1.97,-45.62,;1.69,-44.23,;.34,-43.62,;.41,-41.99,;.86,-43.09,;-2.63,-44.67,;-4.12,-45.06,;-5.61,-45.46,;-6.01,-43.97,;-7.11,-45.85,;-7.51,-47.34,;-8.99,-47.75,;-10.09,-46.65,;-9.68,-45.16,;-10.77,-44.07,;-8.2,-44.76,;-5.22,-46.95,;-6.31,-48.03,;-5.91,-49.52,;-4.42,-49.92,;-3.33,-48.83,;-1.84,-49.22,;-3.73,-47.35,)| Show InChI InChI=1S/C25H29NO2/c1-19-6-4-8-22(16-19)25(27,23-9-5-7-20(2)17-23)13-12-24(28-3)18-26-14-10-21(24)11-15-26/h4-9,16-17,21,27H,10-11,14-15,18H2,1-3H3/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	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
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50176720 ((S)-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenyl-1-(...) Show SMILES CO[C@@]1(CN2CCC1CC2)C#C[C@](O)(c1ccccc1)c1cccnc1 |wU:12.13,2.1,wD:12.14,2.11,THB:1:2:5.6:9.8,(-3.21,-15.79,;-1.68,-15.76,;-.87,-17.08,;-.31,-18.35,;.98,-17.3,;2.47,-17.53,;1.82,-16.27,;.36,-16.06,;-.02,-14.47,;.71,-15.41,;-2.21,-17.87,;-3.53,-18.65,;-4.86,-19.44,;-5.64,-18.12,;-6.18,-20.23,;-7.53,-19.48,;-8.85,-20.26,;-8.83,-21.81,;-7.48,-22.56,;-6.16,-21.77,;-4.07,-20.76,;-2.54,-20.74,;-1.76,-22.07,;-2.51,-23.4,;-4.05,-23.42,;-4.84,-22.11,)| Show InChI InChI=1S/C22H24N2O2/c1-26-21(17-24-14-9-18(21)10-15-24)11-12-22(25,19-6-3-2-4-7-19)20-8-5-13-23-16-20/h2-8,13,16,18,25H,9-10,14-15,17H2,1H3/t21-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	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

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