Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50039418   

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))	BDBM50345693 ((3-endo)-3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethy...) Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,THB:9:8:1:4.5| Show InChI InChI=1S/C24H29N2/c1-26(2)22-13-14-23(26)16-19(15-22)17-24(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22-23H,13-17H2,1-2H3/q+1/t22-,23-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human muscarinic M1 receptor expressed in CHO cells by scintillation proximity assay				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50345693 ((3-endo)-3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethy...) Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,THB:9:8:1:4.5| Show InChI InChI=1S/C24H29N2/c1-26(2)22-13-14-23(26)16-19(15-22)17-24(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22-23H,13-17H2,1-2H3/q+1/t22-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human muscarinic M3 receptor expressed in CHO cells by scintillation proximity assay				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50345693 ((3-endo)-3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethy...) Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,THB:9:8:1:4.5| Show InChI InChI=1S/C24H29N2/c1-26(2)22-13-14-23(26)16-19(15-22)17-24(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22-23H,13-17H2,1-2H3/q+1/t22-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human muscarinic M2 receptor expressed in CHO cells by scintillation proximity assay				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50345692 ((3-endo)-3-(2,2-Di-2-thienylethenyl)-8,8-dimethyl-...) Show SMILES [#6][N+]1([#6])[#6@@H]-2-[#6]-[#6]-[#6@@H]1-[#6]-[#6](-[#6]-2)\[#6]=[#6](/c1cccs1)-c1cccs1 |r,THB:10:8:1:4.5| Show InChI InChI=1S/C19H24NS2/c1-20(2)15-7-8-16(20)12-14(11-15)13-17(18-5-3-9-21-18)19-6-4-10-22-19/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3/q+1/t15-,16-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human muscarinic M1 receptor expressed in CHO cells by scintillation proximity assay				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50345692 ((3-endo)-3-(2,2-Di-2-thienylethenyl)-8,8-dimethyl-...) Show SMILES [#6][N+]1([#6])[#6@@H]-2-[#6]-[#6]-[#6@@H]1-[#6]-[#6](-[#6]-2)\[#6]=[#6](/c1cccs1)-c1cccs1 |r,THB:10:8:1:4.5| Show InChI InChI=1S/C19H24NS2/c1-20(2)15-7-8-16(20)12-14(11-15)13-17(18-5-3-9-21-18)19-6-4-10-22-19/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3/q+1/t15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human muscarinic M3 receptor expressed in CHO cells by scintillation proximity assay				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50345692 ((3-endo)-3-(2,2-Di-2-thienylethenyl)-8,8-dimethyl-...) Show SMILES [#6][N+]1([#6])[#6@@H]-2-[#6]-[#6]-[#6@@H]1-[#6]-[#6](-[#6]-2)\[#6]=[#6](/c1cccs1)-c1cccs1 |r,THB:10:8:1:4.5| Show InChI InChI=1S/C19H24NS2/c1-20(2)15-7-8-16(20)12-14(11-15)13-17(18-5-3-9-21-18)19-6-4-10-22-19/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3/q+1/t15-,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human muscarinic M2 receptor expressed in CHO cells by scintillation proximity assay				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50345679 ((3-endo)-3-[2-Hydroxy-2,2-bis(2-methylphenyl)ethyl...) Show SMILES Cc1ccccc1C(O)(CC1C[C@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1C |r,TLB:9:10:17:13.14| Show InChI InChI=1S/C25H34NO/c1-18-9-5-7-11-23(18)25(27,24-12-8-6-10-19(24)2)17-20-15-21-13-14-22(16-20)26(21,3)4/h5-12,20-22,27H,13-17H2,1-4H3/q+1/t21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50345681 ((3-endo)-1,1-Bis-(3-fluorophenyl)-2-(8,8-dimethyl-...) Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(O)(c1cccc(F)c1)c1cccc(F)c1)C2 |r,THB:9:8:1:4.5| Show InChI InChI=1S/C23H28F2NO/c1-26(2)21-9-10-22(26)12-16(11-21)15-23(27,17-5-3-7-19(24)13-17)18-6-4-8-20(25)14-18/h3-8,13-14,16,21-22,27H,9-12,15H2,1-2H3/q+1/t21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50345689 ((3-endo)-1,1-Bis-(3-thienyl)-2-(8,8-dimethyl-8-azo...) Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(O)(c1ccsc1)c1ccsc1)C2 |r,THB:9:8:1:4.5| Show InChI InChI=1S/C19H26NOS2/c1-20(2)17-3-4-18(20)10-14(9-17)11-19(21,15-5-7-22-12-15)16-6-8-23-13-16/h5-8,12-14,17-18,21H,3-4,9-11H2,1-2H3/q+1/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50345677 (2-(endo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-...) Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(O)(c1ccccc1)c1ccccn1)C2 |r,TLB:0:1:7.23.6:3.4,THB:8:7:1:3.4| Show InChI InChI=1S/C21H26N2O/c1-23-18-10-11-19(23)14-16(13-18)15-21(24,17-7-3-2-4-8-17)20-9-5-6-12-22-20/h2-9,12,16,18-19,24H,10-11,13-15H2,1H3/t18-,19-,21?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50345691 ((3-endo)-3-[2-Hydroxy-2,2-bis(2-methylphenyl)ethyl...) Show SMILES Cc1ccccc1C(O)(CC1C[C@H]2CCC[C@H](C1)[N+]2(C)C)c1ccccc1C |r,TLB:9:10:18:13.15.14| Show InChI InChI=1S/C26H36NO/c1-19-10-5-7-14-24(19)26(28,25-15-8-6-11-20(25)2)18-21-16-22-12-9-13-23(17-21)27(22,3)4/h5-8,10-11,14-15,21-23,28H,9,12-13,16-18H2,1-4H3/q+1/t22-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50345682 ((3-endo)-3-[2,2-Bis(3-chlorophenyl)-2-hydroxyethyl...) Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(O)(c1cccc(Cl)c1)c1cccc(Cl)c1)C2 |r,THB:9:8:1:4.5| Show InChI InChI=1S/C23H28Cl2NO/c1-26(2)21-9-10-22(26)12-16(11-21)15-23(27,17-5-3-7-19(24)13-17)18-6-4-8-20(25)14-18/h3-8,13-14,16,21-22,27H,9-12,15H2,1-2H3/q+1/t21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50345686 ((3-endo)-1,1-Bis(5-fluoro-2-methylphenyl)-2-(8,8-d...) Show SMILES Cc1ccc(F)cc1C(O)(CC1C[C@H]2CC[C@H](C1)[N+]2(C)C)c1cc(F)ccc1C |r,TLB:10:11:18:14.15| Show InChI InChI=1S/C25H32F2NO/c1-16-5-7-19(26)13-23(16)25(29,24-14-20(27)8-6-17(24)2)15-18-11-21-9-10-22(12-18)28(21,3)4/h5-8,13-14,18,21-22,29H,9-12,15H2,1-4H3/q+1/t21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50345690 ((3-endo)-3-[2-Hydroxy-2,2-bis(4-methyl-3-thienyl)e...) Show SMILES Cc1cc(cs1)C(O)(CC1C[C@H]2CC[C@H](C1)[N+]2(C)C)c1csc(C)c1 |r,TLB:8:9:16:12.13| Show InChI InChI=1S/C21H30NOS2/c1-14-7-17(12-24-14)21(23,18-8-15(2)25-13-18)11-16-9-19-5-6-20(10-16)22(19,3)4/h7-8,12-13,16,19-20,23H,5-6,9-11H2,1-4H3/q+1/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50345685 ((3-endo)-1,1-Bis(3-fluoro-2-methylphenyl)-2-(8,8-d...) Show SMILES Cc1c(F)cccc1C(O)(CC1C[C@H]2CC[C@H](C1)[N+]2(C)C)c1cccc(F)c1C |r,TLB:10:11:18:14.15| Show InChI InChI=1S/C25H32F2NO/c1-16-21(7-5-9-23(16)26)25(29,22-8-6-10-24(27)17(22)2)15-18-13-19-11-12-20(14-18)28(19,3)4/h5-10,18-20,29H,11-15H2,1-4H3/q+1/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50345684 ((3-endo)-1,1-Bis-(4-chlorophenyl)-2-(8,8-dimethyl-...) Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 |r,THB:9:8:1:4.5| Show InChI InChI=1S/C23H28Cl2NO/c1-26(2)21-11-12-22(26)14-16(13-21)15-23(27,17-3-7-19(24)8-4-17)18-5-9-20(25)10-6-18/h3-10,16,21-22,27H,11-15H2,1-2H3/q+1/t21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50345687 ((3-endo)-3-[2,2-Bis(3,5-difluorophenyl)-2-hydroxye...) Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(O)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1)C2 |r,THB:9:8:1:4.5| Show InChI InChI=1S/C23H26F4NO/c1-28(2)21-3-4-22(28)6-14(5-21)13-23(29,15-7-17(24)11-18(25)8-15)16-9-19(26)12-20(27)10-16/h7-12,14,21-22,29H,3-6,13H2,1-2H3/q+1/t21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50345676 (3-(endo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,...) Show SMILES CN1[C@@H]2CC[C@@H]1CC(CCC(O)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.24.6:3.4,THB:8:7:1:3.4| Show InChI InChI=1S/C23H29NO/c1-24-21-12-13-22(24)17-18(16-21)14-15-23(25,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21-22,25H,12-17H2,1H3/t21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50345678 (1-(endo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-...) Show SMILES CCC(O)(CC1C[C@H]2CC[C@H](C1)N2C)c1ccccc1 |r,TLB:13:12:5.6.11:8.9,4:5:12:8.9| Show InChI InChI=1S/C18H27NO/c1-3-18(20,15-7-5-4-6-8-15)13-14-11-16-9-10-17(12-14)19(16)2/h4-8,14,16-17,20H,3,9-13H2,1-2H3/t16-,17-,18?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50297133 (CHEMBL561879 | endo-8-methyl-3-(2,2,2-triphenyleth...) Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(c1ccccc1)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.28.6:3.4,THB:8:7:1:3.4| Show InChI InChI=1S/C28H31N/c1-29-26-17-18-27(29)20-22(19-26)21-28(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,22,26-27H,17-21H2,1H3/t26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50345688 ((3-endo)-1,1-Bis(3,4-difluorophenyl)-2-(8,8-dimeth...) Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(O)(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1)C2 |r,THB:9:8:1:4.5| Show InChI InChI=1S/C23H26F4NO/c1-28(2)17-5-6-18(28)10-14(9-17)13-23(29,15-3-7-19(24)21(26)11-15)16-4-8-20(25)22(27)12-16/h3-4,7-8,11-12,14,17-18,29H,5-6,9-10,13H2,1-2H3/q+1/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50297134 (CHEMBL558919 | endo-3-(8-methyl-8-azabicyclo[3.2.1...) Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(C(O)=O)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.25.6:3.4,THB:8:7:1:3.4| Show InChI InChI=1S/C23H27NO2/c1-24-20-12-13-21(24)15-17(14-20)16-23(22(25)26,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21H,12-16H2,1H3,(H,25,26)/t20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	687	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50297135 (CHEMBL563305 | endo-N-benzyl-3-(8-methyl-8-azabicy...) Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(C(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.32.6:3.4,THB:8:7:1:3.4| Show InChI InChI=1S/C30H34N2O/c1-32-27-17-18-28(32)20-24(19-27)21-30(25-13-7-3-8-14-25,26-15-9-4-10-16-26)29(33)31-22-23-11-5-2-6-12-23/h2-16,24,27-28H,17-22H2,1H3,(H,31,33)/t27-,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	839	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50345674 (1,1-diphenyl-2-(3-tropanyl)ethanol | 2-(endo-8-met...) Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(O)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.23.6:3.4,THB:8:7:1:3.4| Show InChI InChI=1S/C22H27NO/c1-23-20-12-13-21(23)15-17(14-20)16-22(24,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21,24H,12-16H2,1H3/t20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	973	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50297131 (CHEMBL564143 | endo-N-(3-(8-methyl-8-azabicyclo[3....) Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(CNS(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.33.6:3.4,THB:8:7:1:3.4| Show InChI InChI=1S/C29H34N2O2S/c1-31-26-17-18-27(31)20-23(19-26)21-29(24-11-5-2-6-12-24,25-13-7-3-8-14-25)22-30-34(32,33)28-15-9-4-10-16-28/h2-16,23,26-27,30H,17-22H2,1H3/t26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50297128 (CHEMBL552277 | endo-1-benzyl-3-(3-(8-methyl-8-azab...) Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(CNC(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.34.6:3.4,THB:8:7:1:3.4| Show InChI InChI=1S/C31H37N3O/c1-34-28-17-18-29(34)20-25(19-28)21-31(26-13-7-3-8-14-26,27-15-9-4-10-16-27)23-33-30(35)32-22-24-11-5-2-6-12-24/h2-16,25,28-29H,17-23H2,1H3,(H2,32,33,35)/t28-,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50345675 ((endo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)diphe...) Show SMILES CN1[C@@H]2CC[C@@H]1CC(C2)C(O)(c1ccccc1)c1ccccc1 |r,TLB:0:1:7.8.6:3.4,THB:9:7:1:3.4| Show InChI InChI=1S/C21H25NO/c1-22-19-12-13-20(22)15-18(14-19)21(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,23H,12-15H2,1H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50297129 (CHEMBL552481 | endo-1-ethyl-3-(3-(8-methyl-8-azabi...) Show SMILES CCNC(=O)NCC(CC1C[C@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1 |r,TLB:17:16:9.10.15:12.13,8:9:16:12.13| Show InChI InChI=1S/C26H35N3O/c1-3-27-25(30)28-19-26(21-10-6-4-7-11-21,22-12-8-5-9-13-22)18-20-16-23-14-15-24(17-20)29(23)2/h4-13,20,23-24H,3,14-19H2,1-2H3,(H2,27,28,30)/t23-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50297132 (CHEMBL550527 | endo-N-(3-(8-methyl-8-azabicyclo[3....) Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(CNS(C)(=O)=O)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.28.6:3.4,THB:8:7:1:3.4| Show InChI InChI=1S/C24H32N2O2S/c1-26-22-13-14-23(26)16-19(15-22)17-24(18-25-29(2,27)28,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22-23,25H,13-18H2,1-2H3/t22-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50297130 (CHEMBL558063 | endo-N-(3-(8-methyl-8-azabicyclo[3....) Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(CNC(C)=O)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.27.6:3.4,THB:8:7:1:3.4| Show InChI InChI=1S/C25H32N2O/c1-19(28)26-18-25(21-9-5-3-6-10-21,22-11-7-4-8-12-22)17-20-15-23-13-14-24(16-20)27(23)2/h3-12,20,23-24H,13-18H2,1-2H3,(H,26,28)/t23-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50345680 ((3-endo)-3-{2-Hydroxy-2,2-bis[2-(methyloxy)phenyl]...) Show SMILES COc1ccccc1C(O)(CC1C[C@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1OC |r,TLB:10:11:18:14.15| Show InChI InChI=1S/C25H34NO3/c1-26(2)19-13-14-20(26)16-18(15-19)17-25(27,21-9-5-7-11-23(21)28-3)22-10-6-8-12-24(22)29-4/h5-12,18-20,27H,13-17H2,1-4H3/q+1/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50345683 ((3-endo)-3-{2-Hydroxy-2,2-bis[4-(methyloxy)phenyl]...) Show SMILES COc1ccc(cc1)C(O)(CC1C[C@H]2CC[C@H](C1)[N+]2(C)C)c1ccc(OC)cc1 |r,TLB:10:11:18:14.15| Show InChI InChI=1S/C25H34NO3/c1-26(2)21-9-10-22(26)16-18(15-21)17-25(27,19-5-11-23(28-3)12-6-19)20-7-13-24(29-4)14-8-20/h5-8,11-14,18,21-22,27H,9-10,15-17H2,1-4H3/q+1/t21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair