Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50040850   

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 M1 (Homo sapiens (Human))	BDBM50241132 (3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...) Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0955	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 22 hrs by liquid scinti...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50241132 (3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...) Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Competitive inhibition of EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 4 hrs by FRET assay in pre...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50122054 (8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]dia...) Show SMILES Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCNCC1 |c:13| Show InChI InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	60.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 22 hrs by liquid scinti...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50326219 (4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...) Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1 Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	891	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Competitive inhibition of EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 4 hrs by FRET assay in pre...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50401040 (CHEMBL2206333) Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC3CCN(CCCC(=O)c4ccccc4C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |(39.75,-15.81,;41.08,-16.58,;42.41,-15.81,;42.41,-14.27,;41.08,-13.5,;43.75,-16.58,;43.74,-18.13,;45.08,-18.9,;46.42,-18.13,;47.76,-18.9,;47.76,-20.44,;46.43,-21.2,;46.44,-22.74,;47.77,-23.51,;49.11,-22.73,;49.1,-21.19,;50.42,-20.41,;51.77,-21.17,;49.65,-19.07,;51.19,-19.07,;47.77,-25.04,;47.37,-26.53,;46.28,-25.44,;49.1,-25.81,;49.1,-27.35,;47.76,-28.12,;46.43,-27.35,;45.1,-28.12,;43.76,-27.35,;42.43,-28.12,;41.11,-27.34,;39.77,-28.1,;39.77,-29.65,;38.43,-30.41,;37.1,-29.63,;35.76,-30.4,;34.43,-29.62,;34.44,-28.08,;33.09,-30.38,;33.09,-31.92,;31.76,-32.68,;30.42,-31.91,;30.43,-30.36,;31.77,-29.6,;31.78,-28.06,;41.1,-30.42,;42.44,-29.66,;49.1,-18.12,;50.44,-18.9,;51.79,-18.12,;51.79,-16.56,;50.44,-15.78,;49.1,-16.56,;47.75,-15.79,;46.41,-16.58,;45.08,-15.81,;53.12,-15.79,;53.12,-14.25,;54.46,-13.48,;54.46,-16.56,;55.79,-15.79,)| Show InChI InChI=1S/C48H62N4O7S2/c1-6-51(7-2)37-20-23-41-45(32-37)59-46-33-38(52(8-3)9-4)21-24-42(46)48(41)43-25-22-39(34-47(43)61(56,57)58)60(54,55)49-28-14-10-11-17-36-26-30-50(31-27-36)29-15-19-44(53)40-18-13-12-16-35(40)5/h12-13,16,18,20-25,32-34,36,49H,6-11,14-15,17,19,26-31H2,1-5H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 22 hrs by liquid scinti...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50401038 (CHEMBL2206335) Show SMILES Cc1ccccc1C(=O)CCCN1CCC(CCCCCN)CC1 Show InChI InChI=1S/C21H34N2O/c1-18-8-4-5-10-20(18)21(24)11-7-15-23-16-12-19(13-17-23)9-3-2-6-14-22/h4-5,8,10,19H,2-3,6-7,9,11-17,22H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Competitive inhibition of EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 4 hrs by FRET assay in pre...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50326219 (4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...) Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1 Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 22 hrs by liquid scinti...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50401038 (CHEMBL2206335) Show SMILES Cc1ccccc1C(=O)CCCN1CCC(CCCCCN)CC1 Show InChI InChI=1S/C21H34N2O/c1-18-8-4-5-10-20(18)21(24)11-7-15-23-16-12-19(13-17-23)9-3-2-6-14-22/h4-5,8,10,19H,2-3,6-7,9,11-17,22H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 22 hrs by liquid scinti...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50149891 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...) Show SMILES CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC Show InChI InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Competitive inhibition of EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 4 hrs by FRET assay in pre...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50401037 (BRUCINE) Show SMILES COc1cc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2cc1OC |t:15| Show InChI InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	4.47E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Competitive inhibition of EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 4 hrs by FRET assay in pre...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM54993 (4-[6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9...) Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC |(3.08,-3.75,;4.41,-2.97,;5.75,-3.74,;5.75,-5.28,;4.42,-6.05,;7.08,-2.96,;7.08,-1.36,;8.47,-.56,;9.85,-1.39,;11.18,-.62,;10.41,.72,;8.87,.72,;8.1,2.05,;8.87,3.38,;10.41,3.38,;11.18,2.05,;12.72,2.05,;12.72,3.59,;14.26,2.05,;12.72,.51,;8.1,4.72,;7.33,6.05,;6.77,3.95,;9.44,5.49,;12.52,-1.39,;13.89,-.56,;15.29,-1.36,;15.29,-2.96,;13.89,-3.75,;12.52,-2.93,;11.18,-3.7,;9.85,-2.93,;8.47,-3.75,;16.62,-3.74,;16.61,-5.28,;17.94,-6.05,;17.96,-2.97,;19.29,-3.75,)| Show InChI InChI=1S/C27H30N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)/p-1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 22 hrs by liquid scinti...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50401040 (CHEMBL2206333) Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC3CCN(CCCC(=O)c4ccccc4C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |(39.75,-15.81,;41.08,-16.58,;42.41,-15.81,;42.41,-14.27,;41.08,-13.5,;43.75,-16.58,;43.74,-18.13,;45.08,-18.9,;46.42,-18.13,;47.76,-18.9,;47.76,-20.44,;46.43,-21.2,;46.44,-22.74,;47.77,-23.51,;49.11,-22.73,;49.1,-21.19,;50.42,-20.41,;51.77,-21.17,;49.65,-19.07,;51.19,-19.07,;47.77,-25.04,;47.37,-26.53,;46.28,-25.44,;49.1,-25.81,;49.1,-27.35,;47.76,-28.12,;46.43,-27.35,;45.1,-28.12,;43.76,-27.35,;42.43,-28.12,;41.11,-27.34,;39.77,-28.1,;39.77,-29.65,;38.43,-30.41,;37.1,-29.63,;35.76,-30.4,;34.43,-29.62,;34.44,-28.08,;33.09,-30.38,;33.09,-31.92,;31.76,-32.68,;30.42,-31.91,;30.43,-30.36,;31.77,-29.6,;31.78,-28.06,;41.1,-30.42,;42.44,-29.66,;49.1,-18.12,;50.44,-18.9,;51.79,-18.12,;51.79,-16.56,;50.44,-15.78,;49.1,-16.56,;47.75,-15.79,;46.41,-16.58,;45.08,-15.81,;53.12,-15.79,;53.12,-14.25,;54.46,-13.48,;54.46,-16.56,;55.79,-15.79,)| Show InChI InChI=1S/C48H62N4O7S2/c1-6-51(7-2)37-20-23-41-45(32-37)59-46-33-38(52(8-3)9-4)21-24-42(46)48(41)43-25-22-39(34-47(43)61(56,57)58)60(54,55)49-28-14-10-11-17-36-26-30-50(31-27-36)29-15-19-44(53)40-18-13-12-16-35(40)5/h12-13,16,18,20-25,32-34,36,49H,6-11,14-15,17,19,26-31H2,1-5H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Antagonist activity at EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells assessed as inhibition of carbachol...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50401038 (CHEMBL2206335) Show SMILES Cc1ccccc1C(=O)CCCN1CCC(CCCCCN)CC1 Show InChI InChI=1S/C21H34N2O/c1-18-8-4-5-10-20(18)21(24)11-7-15-23-16-12-19(13-17-23)9-3-2-6-14-22/h4-5,8,10,19H,2-3,6-7,9,11-17,22H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Antagonist activity at EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells assessed as inhibition of carbachol...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50326219 (4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...) Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1 Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	740	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Partial agonist activity at human full length M1 receptor expressed in HEK293 cells assessed as induction of calcium response by fluorescence assay				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50004656 ((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...) Show SMILES C[N+](C)(C)CCOC(N)=O Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Agonist activity at EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells assessed as induction of calcium respo...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50149891 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...) Show SMILES CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC Show InChI InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.74E+5	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells assessed as reduction of [3H]...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50401040 (CHEMBL2206333) Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC3CCN(CCCC(=O)c4ccccc4C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |(39.75,-15.81,;41.08,-16.58,;42.41,-15.81,;42.41,-14.27,;41.08,-13.5,;43.75,-16.58,;43.74,-18.13,;45.08,-18.9,;46.42,-18.13,;47.76,-18.9,;47.76,-20.44,;46.43,-21.2,;46.44,-22.74,;47.77,-23.51,;49.11,-22.73,;49.1,-21.19,;50.42,-20.41,;51.77,-21.17,;49.65,-19.07,;51.19,-19.07,;47.77,-25.04,;47.37,-26.53,;46.28,-25.44,;49.1,-25.81,;49.1,-27.35,;47.76,-28.12,;46.43,-27.35,;45.1,-28.12,;43.76,-27.35,;42.43,-28.12,;41.11,-27.34,;39.77,-28.1,;39.77,-29.65,;38.43,-30.41,;37.1,-29.63,;35.76,-30.4,;34.43,-29.62,;34.44,-28.08,;33.09,-30.38,;33.09,-31.92,;31.76,-32.68,;30.42,-31.91,;30.43,-30.36,;31.77,-29.6,;31.78,-28.06,;41.1,-30.42,;42.44,-29.66,;49.1,-18.12,;50.44,-18.9,;51.79,-18.12,;51.79,-16.56,;50.44,-15.78,;49.1,-16.56,;47.75,-15.79,;46.41,-16.58,;45.08,-15.81,;53.12,-15.79,;53.12,-14.25,;54.46,-13.48,;54.46,-16.56,;55.79,-15.79,)| Show InChI InChI=1S/C48H62N4O7S2/c1-6-51(7-2)37-20-23-41-45(32-37)59-46-33-38(52(8-3)9-4)21-24-42(46)48(41)43-25-22-39(34-47(43)61(56,57)58)60(54,55)49-28-14-10-11-17-36-26-30-50(31-27-36)29-15-19-44(53)40-18-13-12-16-35(40)5/h12-13,16,18,20-25,32-34,36,49H,6-11,14-15,17,19,26-31H2,1-5H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells assessed as reduction of [3H]...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50149891 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...) Show SMILES CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC Show InChI InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells assessed as reduction of [3H]...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50326219 (4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...) Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1 Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	450	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Partial agonist activity at EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells assessed as induction of calci...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50326219 (4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...) Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1 Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	720	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Partial agonist activity at EGFP-fused human M1 receptor N-terminal truncated at 11 residues expressed in HEK293 cells assessed as induction of calci...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50326219 (4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one | C...) Show SMILES CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1 Show InChI InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	210	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Partial agonist activity at EGFP-fused human full length M1 receptor expressed in HEK293 cells assessed as induction of calcium response by fluoresce...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50004656 ((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...) Show SMILES C[N+](C)(C)CCOC(N)=O Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Agonist activity at human M3 receptor in HEK293 cells assessed as induction of calcium response by fluorescence assay				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
					More data for this Ligand-Target Pair