Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50084422'   

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))	BDBM50084422 (CHEMBL3426707) Show SMILES COc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1NC(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C41H45N5O7/c1-52-37-15-11-27(17-21-42-26-36(48)31-12-14-35(47)40-32(31)13-16-38(49)45-40)25-34(37)43-39(50)20-24-46-22-18-29(19-23-46)53-41(51)44-33-10-6-5-9-30(33)28-7-3-2-4-8-28/h2-16,25,29,36,42,47-48H,17-24,26H2,1H3,(H,43,50)(H,44,51)(H,45,49)/t36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting				J Med Chem 58: 2609-22 (2015) Article DOI: 10.1021/jm501915g BindingDB Entry DOI: 10.7270/Q2N29ZNQ
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