Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50019981   

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))	BDBM50209328 (1-(2-cyclopropyl-5-methyl-6-(pyrrolidin-1-yl)pyrim...) Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CCCC1 Show InChI InChI=1S/C18H28N4/c1-14-17(21-10-4-2-3-5-11-21)19-16(15-8-9-15)20-18(14)22-12-6-7-13-22/h15H,2-13H2,1H3	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 S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50181089 (6-(azepan-1-yl)-N,2-dicyclopropyl-5-methylpyrimidi...) Show SMILES Cc1c(NC2CC2)nc(nc1N1CCCCCC1)C1CC1 Show InChI InChI=1S/C17H26N4/c1-12-15(18-14-8-9-14)19-16(13-6-7-13)20-17(12)21-10-4-2-3-5-11-21/h13-14H,2-11H2,1H3,(H,18,19,20)	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 S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209324 (1-(2-cyclopropyl-6-(3-methylazetidin-1-yl)pyrimidi...) Show SMILES CC1CN(C1)c1cc(nc(n1)C1CC1)N1CCCCCC1 Show InChI InChI=1S/C17H26N4/c1-13-11-21(12-13)16-10-15(18-17(19-16)14-6-7-14)20-8-4-2-3-5-9-20/h10,13-14H,2-9,11-12H2,1H3	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 S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209326 (1-(6-(azetidin-1-yl)-2-cyclopropyl-5-methylpyrimid...) Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CCC1 Show InChI InChI=1S/C17H26N4/c1-13-16(20-9-4-2-3-5-10-20)18-15(14-7-8-14)19-17(13)21-11-6-12-21/h14H,2-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209325 (1-(2-cyclopropyl-5-methyl-6-(3-methylazetidin-1-yl...) Show SMILES CC1CN(C1)c1nc(nc(N2CCCCCC2)c1C)C1CC1 Show InChI InChI=1S/C18H28N4/c1-13-11-22(12-13)18-14(2)17(19-16(20-18)15-7-8-15)21-9-5-3-4-6-10-21/h13,15H,3-12H2,1-2H3	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 S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209323 (1-(2-cyclopropyl-6-(3,3-dimethylazetidin-1-yl)-5-m...) Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CC(C)(C)C1 Show InChI InChI=1S/C19H30N4/c1-14-17(22-10-6-4-5-7-11-22)20-16(15-8-9-15)21-18(14)23-12-19(2,3)13-23/h15H,4-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209320 (1-(2-cyclopropyl-6-(3-methoxyazetidin-1-yl)-5-meth...) Show SMILES COC1CN(C1)c1nc(nc(N2CCCCCC2)c1C)C1CC1 Show InChI InChI=1S/C18H28N4O/c1-13-17(21-9-5-3-4-6-10-21)19-16(14-7-8-14)20-18(13)22-11-15(12-22)23-2/h14-15H,3-12H2,1-2H3	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 S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209318 (1-(6-(azepan-1-yl)-2-cyclopropyl-5-methylpyrimidin...) Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CCCCCC1 Show InChI InChI=1S/C20H32N4/c1-16-19(23-12-6-2-3-7-13-23)21-18(17-10-11-17)22-20(16)24-14-8-4-5-9-15-24/h17H,2-15H2,1H3	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 S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209327 (1-(6-(azetidin-1-yl)-2-cyclopropylpyrimidin-4-yl)a...) Show SMILES C1CC1c1nc(cc(n1)N1CCCCCC1)N1CCC1 Show InChI InChI=1S/C16H24N4/c1-2-4-9-19(8-3-1)14-12-15(20-10-5-11-20)18-16(17-14)13-6-7-13/h12-13H,1-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209332 (1-(2-cyclopropyl-5-methyl-6-(piperidin-1-yl)pyrimi...) Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CCCCC1 Show InChI InChI=1S/C19H30N4/c1-15-18(22-11-5-2-3-6-12-22)20-17(16-9-10-16)21-19(15)23-13-7-4-8-14-23/h16H,2-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209330 (1-(6-(azepan-1-yl)-2-cyclopropyl-5-methylpyrimidin...) Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CC(O)C1 Show InChI InChI=1S/C17H26N4O/c1-12-16(20-8-4-2-3-5-9-20)18-15(13-6-7-13)19-17(12)21-10-14(22)11-21/h13-14,22H,2-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209322 (1-(6-(3-bromoazetidin-1-yl)-2-cyclopropyl-5-methyl...) Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CC(Br)C1 Show InChI InChI=1S/C17H25BrN4/c1-12-16(21-8-4-2-3-5-9-21)19-15(13-6-7-13)20-17(12)22-10-14(18)11-22/h13-14H,2-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209321 (1-(2-cyclopropyl-6-(3-fluoroazetidin-1-yl)-5-methy...) Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CC(F)C1 Show InChI InChI=1S/C17H25FN4/c1-12-16(21-8-4-2-3-5-9-21)19-15(13-6-7-13)20-17(12)22-10-14(18)11-22/h13-14H,2-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209329 (1-(2-cyclopropyl-6-(3-fluoroazetidin-1-yl)pyrimidi...) Show SMILES FC1CN(C1)c1cc(nc(n1)C1CC1)N1CCCCCC1 Show InChI InChI=1S/C16H23FN4/c17-13-10-21(11-13)15-9-14(18-16(19-15)12-5-6-12)20-7-3-1-2-4-8-20/h9,12-13H,1-8,10-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209319 (1-(6-(azepan-1-yl)-2-cyclopropyl-5-methylpyrimidin...) Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CC(=O)C1 Show InChI InChI=1S/C17H24N4O/c1-12-16(20-8-4-2-3-5-9-20)18-15(13-6-7-13)19-17(12)21-10-14(22)11-21/h13H,2-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50209331 (1-(6-(azepan-1-yl)-2-cyclopropyl-5-methylpyrimidin...) Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CC(C1)C#N Show InChI InChI=1S/C18H25N5/c1-13-17(22-8-4-2-3-5-9-22)20-16(15-6-7-15)21-18(13)23-11-14(10-19)12-23/h14-15H,2-9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma S.A. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 17: 3077-80 (2007) Article DOI: 10.1016/j.bmcl.2007.03.047 BindingDB Entry DOI: 10.7270/Q2PR7VNX
					More data for this Ligand-Target Pair