Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM325607'   

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))	BDBM325607 (US9636336, Example 18 | US9636336, Example 77 | US...) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC[C@H]2CCN(C)C2)c2ccccc2)s1 Show InChI InChI=1S/C35H37Cl2N3O7S/c1-39-14-13-22(18-39)21-46-35(42)33(23-7-5-4-6-8-23)38-17-25-10-12-32(48-25)34(41)47-30(16-26-27(36)19-40(43)20-28(26)37)24-9-11-29(44-2)31(15-24)45-3/h4-12,15,19-20,22,30,33,38H,13-14,16-18,21H2,1-3H3/t22-,30-,33?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CHIESI FARMACEUTICI S.p.A. US Patent					Assay Description Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...				US Patent US9636336 (2017) BindingDB Entry DOI: 10.7270/Q2JS9SH5
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM325607 (US9636336, Example 18 | US9636336, Example 77 | US...) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC[C@H]2CCN(C)C2)c2ccccc2)s1 Show InChI InChI=1S/C35H37Cl2N3O7S/c1-39-14-13-22(18-39)21-46-35(42)33(23-7-5-4-6-8-23)38-17-25-10-12-32(48-25)34(41)47-30(16-26-27(36)19-40(43)20-28(26)37)24-9-11-29(44-2)31(15-24)45-3/h4-12,15,19-20,22,30,33,38H,13-14,16-18,21H2,1-3H3/t22-,30-,33?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.19	n/a	n/a	n/a	n/a	n/a	n/a
CHIESI FARMACEUTICI S.p.A. US Patent					Assay Description Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...				US Patent US9636336 (2017) BindingDB Entry DOI: 10.7270/Q2JS9SH5
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM325607 (US9636336, Example 18 | US9636336, Example 77 | US...) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC[C@H]2CCN(C)C2)c2ccccc2)s1 Show InChI InChI=1S/C35H37Cl2N3O7S/c1-39-14-13-22(18-39)21-46-35(42)33(23-7-5-4-6-8-23)38-17-25-10-12-32(48-25)34(41)47-30(16-26-27(36)19-40(43)20-28(26)37)24-9-11-29(44-2)31(15-24)45-3/h4-12,15,19-20,22,30,33,38H,13-14,16-18,21H2,1-3H3/t22-,30-,33?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
CHIESI FARMACEUTICI S.p.A. US Patent					Assay Description Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...				US Patent US9636336 (2017) BindingDB Entry DOI: 10.7270/Q2JS9SH5
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM325607 (US9636336, Example 18 | US9636336, Example 77 | US...) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC[C@H]2CCN(C)C2)c2ccccc2)s1 Show InChI InChI=1S/C35H37Cl2N3O7S/c1-39-14-13-22(18-39)21-46-35(42)33(23-7-5-4-6-8-23)38-17-25-10-12-32(48-25)34(41)47-30(16-26-27(36)19-40(43)20-28(26)37)24-9-11-29(44-2)31(15-24)45-3/h4-12,15,19-20,22,30,33,38H,13-14,16-18,21H2,1-3H3/t22-,30-,33?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
CHIESI FARMACEUTICI S.p.A. US Patent					Assay Description Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...				US Patent US9636336 (2017) BindingDB Entry DOI: 10.7270/Q2JS9SH5
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM325607 (US9636336, Example 18 | US9636336, Example 77 | US...) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC[C@H]2CCN(C)C2)c2ccccc2)s1 Show InChI InChI=1S/C35H37Cl2N3O7S/c1-39-14-13-22(18-39)21-46-35(42)33(23-7-5-4-6-8-23)38-17-25-10-12-32(48-25)34(41)47-30(16-26-27(36)19-40(43)20-28(26)37)24-9-11-29(44-2)31(15-24)45-3/h4-12,15,19-20,22,30,33,38H,13-14,16-18,21H2,1-3H3/t22-,30-,33?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
CHIESI FARMACEUTICI S.p.A. US Patent					Assay Description Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...				US Patent US9636336 (2017) BindingDB Entry DOI: 10.7270/Q2JS9SH5
					More data for this Ligand-Target Pair