Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50031612   

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 (RAT)	BDBM50316215 ((2-(1,2,5,6-Tetrahydro-1-methylpyridin-3-yl)-morph...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=O)c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C18H24N2O2/c1-14-5-7-15(8-6-14)18(21)20-10-11-22-17(13-20)16-4-3-9-19(2)12-16/h4-8,17H,3,9-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex after 2 hrs by liquid scintillation counting				Bioorg Med Chem 17: 5526-34 (2009) Article DOI: 10.1016/j.bmc.2009.06.032 BindingDB Entry DOI: 10.7270/Q2P55NP8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50316216 ((4-Chlorophenyl)(2-(1,2,5,6-tetrahydro-1-methylpyr...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=O)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C17H21ClN2O2/c1-19-8-2-3-14(11-19)16-12-20(9-10-22-16)17(21)13-4-6-15(18)7-5-13/h3-7,16H,2,8-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex after 2 hrs by liquid scintillation counting				Bioorg Med Chem 17: 5526-34 (2009) Article DOI: 10.1016/j.bmc.2009.06.032 BindingDB Entry DOI: 10.7270/Q2P55NP8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50316214 ((2-(1,2,5,6-Tetrahydro-1-methylpyridin-3-yl)morpho...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=O)c1ccccc1 |c:4| Show InChI InChI=1S/C17H22N2O2/c1-18-9-5-8-15(12-18)16-13-19(10-11-21-16)17(20)14-6-3-2-4-7-14/h2-4,6-8,16H,5,9-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex after 2 hrs by liquid scintillation counting				Bioorg Med Chem 17: 5526-34 (2009) Article DOI: 10.1016/j.bmc.2009.06.032 BindingDB Entry DOI: 10.7270/Q2P55NP8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50316220 ((2-(1,2,5,6-Tetrahydro-1-methylpyridin-3-yl)morpho...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=O)c1cccc(c1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C17H21N3O4/c1-18-7-3-5-14(11-18)16-12-19(8-9-24-16)17(21)13-4-2-6-15(10-13)20(22)23/h2,4-6,10,16H,3,7-9,11-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex after 2 hrs by liquid scintillation counting				Bioorg Med Chem 17: 5526-34 (2009) Article DOI: 10.1016/j.bmc.2009.06.032 BindingDB Entry DOI: 10.7270/Q2P55NP8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50316221 ((2-(1,2,5,6-Tetrahydro-1-methylpyridin-3-yl)morpho...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=O)c1ccc(cc1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C17H21N3O4/c1-18-8-2-3-14(11-18)16-12-19(9-10-24-16)17(21)13-4-6-15(7-5-13)20(22)23/h3-7,16H,2,8-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex after 2 hrs by liquid scintillation counting				Bioorg Med Chem 17: 5526-34 (2009) Article DOI: 10.1016/j.bmc.2009.06.032 BindingDB Entry DOI: 10.7270/Q2P55NP8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM46858 (1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...) Show SMILES COC(=O)C1=CCCN(C)C1 |t:4| Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	8.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex after 2 hrs by liquid scintillation counting				Bioorg Med Chem 17: 5526-34 (2009) Article DOI: 10.1016/j.bmc.2009.06.032 BindingDB Entry DOI: 10.7270/Q2P55NP8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50316219 ((2-(1,2,5,6-Tetrahydro-1-methylpyridin-3-yl)morpho...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=O)c1ccccc1[N+]([O-])=O |c:4| Show InChI InChI=1S/C17H21N3O4/c1-18-8-4-5-13(11-18)16-12-19(9-10-24-16)17(21)14-6-2-3-7-15(14)20(22)23/h2-3,5-7,16H,4,8-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex after 2 hrs by liquid scintillation counting				Bioorg Med Chem 17: 5526-34 (2009) Article DOI: 10.1016/j.bmc.2009.06.032 BindingDB Entry DOI: 10.7270/Q2P55NP8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50316215 ((2-(1,2,5,6-Tetrahydro-1-methylpyridin-3-yl)-morph...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=O)c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C18H24N2O2/c1-14-5-7-15(8-6-14)18(21)20-10-11-22-17(13-20)16-4-3-9-19(2)12-16/h4-8,17H,3,9-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex after 2 hrs by liquid scintillation counting				Bioorg Med Chem 17: 5526-34 (2009) Article DOI: 10.1016/j.bmc.2009.06.032 BindingDB Entry DOI: 10.7270/Q2P55NP8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50316216 ((4-Chlorophenyl)(2-(1,2,5,6-tetrahydro-1-methylpyr...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=O)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C17H21ClN2O2/c1-19-8-2-3-14(11-19)16-12-20(9-10-22-16)17(21)13-4-6-15(18)7-5-13/h3-7,16H,2,8-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex after 2 hrs by liquid scintillation counting				Bioorg Med Chem 17: 5526-34 (2009) Article DOI: 10.1016/j.bmc.2009.06.032 BindingDB Entry DOI: 10.7270/Q2P55NP8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50316214 ((2-(1,2,5,6-Tetrahydro-1-methylpyridin-3-yl)morpho...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=O)c1ccccc1 |c:4| Show InChI InChI=1S/C17H22N2O2/c1-18-9-5-8-15(12-18)16-13-19(10-11-21-16)17(20)14-6-3-2-4-7-14/h2-4,6-8,16H,5,9-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex after 2 hrs by liquid scintillation counting				Bioorg Med Chem 17: 5526-34 (2009) Article DOI: 10.1016/j.bmc.2009.06.032 BindingDB Entry DOI: 10.7270/Q2P55NP8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50316220 ((2-(1,2,5,6-Tetrahydro-1-methylpyridin-3-yl)morpho...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=O)c1cccc(c1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C17H21N3O4/c1-18-7-3-5-14(11-18)16-12-19(8-9-24-16)17(21)13-4-2-6-15(10-13)20(22)23/h2,4-6,10,16H,3,7-9,11-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.42E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex after 2 hrs by liquid scintillation counting				Bioorg Med Chem 17: 5526-34 (2009) Article DOI: 10.1016/j.bmc.2009.06.032 BindingDB Entry DOI: 10.7270/Q2P55NP8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50316221 ((2-(1,2,5,6-Tetrahydro-1-methylpyridin-3-yl)morpho...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=O)c1ccc(cc1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C17H21N3O4/c1-18-8-2-3-14(11-18)16-12-19(9-10-24-16)17(21)13-4-6-15(7-5-13)20(22)23/h3-7,16H,2,8-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex after 2 hrs by liquid scintillation counting				Bioorg Med Chem 17: 5526-34 (2009) Article DOI: 10.1016/j.bmc.2009.06.032 BindingDB Entry DOI: 10.7270/Q2P55NP8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM46858 (1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...) Show SMILES COC(=O)C1=CCCN(C)C1 |t:4| Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex after 2 hrs by liquid scintillation counting				Bioorg Med Chem 17: 5526-34 (2009) Article DOI: 10.1016/j.bmc.2009.06.032 BindingDB Entry DOI: 10.7270/Q2P55NP8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50316219 ((2-(1,2,5,6-Tetrahydro-1-methylpyridin-3-yl)morpho...) Show SMILES CN1CCC=C(C1)C1CN(CCO1)C(=O)c1ccccc1[N+]([O-])=O |c:4| Show InChI InChI=1S/C17H21N3O4/c1-18-8-4-5-13(11-18)16-12-19(9-10-24-16)17(21)14-6-2-3-7-15(14)20(22)23/h2-3,5-7,16H,4,8-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.18E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex after 2 hrs by liquid scintillation counting				Bioorg Med Chem 17: 5526-34 (2009) Article DOI: 10.1016/j.bmc.2009.06.032 BindingDB Entry DOI: 10.7270/Q2P55NP8
					More data for this Ligand-Target Pair