Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50192033'   

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))	BDBM50192033 (CHEMBL3905582 | US10239870, Example 261) Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1csnn1 |r| Show InChI InChI=1S/C21H23F3N6S2/c1-29-18(17-12-32-28-25-17)26-27-19(29)31-10-2-8-30-9-7-20(13-30)11-16(20)14-3-5-15(6-4-14)21(22,23)24/h3-6,12,16H,2,7-11,13H2,1H3/t16-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aptuit s.r.l. Curated by ChEMBL					Assay Description Activity at human muscarinic acetylcholine receptor M3 transfected in CHO-K1 cells assessed as intracellular calcium levels in presence of acetylchol...				J Med Chem 59: 8549-76 (2016) Article DOI: 10.1021/acs.jmedchem.6b00972 BindingDB Entry DOI: 10.7270/Q2SQ9298
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