Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM50004661'   

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 M2 (Mus musculus)	BDBM50004661 (CHEMBL316973 | [2-(5-Dimethylaminomethyl-furan-2-y...) Show SMILES CN(C)Cc1ccc(CSCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)o1 Show InChI InChI=1S/C16H20N4O5S/c1-18(2)10-13-4-5-14(25-13)11-26-8-7-17-15-6-3-12(19(21)22)9-16(15)20(23)24/h3-6,9,17H,7-8,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Ability of the compound to displace [3H]-oxotremorine ([3H]-OXO-M) from mouse cerebral cortex				J Med Chem 35: 3141-7 (1992) BindingDB Entry DOI: 10.7270/Q200012X
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Mus musculus)	BDBM50004661 (CHEMBL316973 | [2-(5-Dimethylaminomethyl-furan-2-y...) Show SMILES CN(C)Cc1ccc(CSCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)o1 Show InChI InChI=1S/C16H20N4O5S/c1-18(2)10-13-4-5-14(25-13)11-26-8-7-17-15-6-3-12(19(21)22)9-16(15)20(23)24/h3-6,9,17H,7-8,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Ability of the compound to displace [3H]-oxotremorine ([3H]-OXO-M) from mouse cerebral cortex				J Med Chem 35: 3141-7 (1992) BindingDB Entry DOI: 10.7270/Q200012X
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50004661 (CHEMBL316973 | [2-(5-Dimethylaminomethyl-furan-2-y...) Show SMILES CN(C)Cc1ccc(CSCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)o1 Show InChI InChI=1S/C16H20N4O5S/c1-18(2)10-13-4-5-14(25-13)11-26-8-7-17-15-6-3-12(19(21)22)9-16(15)20(23)24/h3-6,9,17H,7-8,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]-N-methylscopolamine to rat muscarinic acetylcholine receptor M2 from heart tissue				J Med Chem 35: 3141-7 (1992) BindingDB Entry DOI: 10.7270/Q200012X
					More data for this Ligand-Target Pair