Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50345684'   

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))	BDBM50345684 ((3-endo)-1,1-Bis-(4-chlorophenyl)-2-(8,8-dimethyl-...) Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 |r,THB:9:8:1:4.5| Show InChI InChI=1S/C23H28Cl2NO/c1-26(2)21-11-12-22(26)14-16(13-21)15-23(27,17-3-7-19(24)8-4-17)18-5-9-20(25)10-6-18/h3-10,16,21-22,27H,11-15H2,1-2H3/q+1/t21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
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