Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 370.5 BDBM50223985

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

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))	BDBM50223985 (8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl (3-methylt...) Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1sccc1C)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4| Show InChI InChI=1S/C21H26N2O2S/c1-15-10-11-26-20(15)14-23(16-6-4-3-5-7-16)21(24)25-19-12-17-8-9-18(13-19)22(17)2/h3-7,10-11,17-19H,8-9,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithkline Curated by ChEMBL					Assay Description Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization				Bioorg Med Chem Lett 17: 6066-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.071 BindingDB Entry DOI: 10.7270/Q2BC3Z8T
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50223985 (8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl (3-methylt...) Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1sccc1C)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4| Show InChI InChI=1S/C21H26N2O2S/c1-15-10-11-26-20(15)14-23(16-6-4-3-5-7-16)21(24)25-19-12-17-8-9-18(13-19)22(17)2/h3-7,10-11,17-19H,8-9,12-14H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithkline Curated by ChEMBL					Assay Description Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization				Bioorg Med Chem Lett 17: 6066-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.071 BindingDB Entry DOI: 10.7270/Q2BC3Z8T
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50223985 (8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl (3-methylt...) Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1sccc1C)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4| Show InChI InChI=1S/C21H26N2O2S/c1-15-10-11-26-20(15)14-23(16-6-4-3-5-7-16)21(24)25-19-12-17-8-9-18(13-19)22(17)2/h3-7,10-11,17-19H,8-9,12-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	191	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithkline Curated by ChEMBL					Assay Description Antagonist activity at cloned muscarinic M2 receptor expressed in CHO cells by measuring calcium mobilization				Bioorg Med Chem Lett 17: 6066-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.071 BindingDB Entry DOI: 10.7270/Q2BC3Z8T
					More data for this Ligand-Target Pair