Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50095671'   

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))	BDBM50095671 (2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-2-phenyl-N-...) Show SMILES O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2ccsc2)CC1)c1ccccc1 Show InChI InChI=1S/C23H28F2N2O2S/c24-22(25)10-6-19(14-22)23(29,18-4-2-1-3-5-18)21(28)26-20-7-11-27(12-8-20)15-17-9-13-30-16-17/h1-5,9,13,16,19-20,29H,6-8,10-12,14-15H2,(H,26,28)/t19-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M3 expressed in CHO cells				J Med Chem 43: 5017-29 (2001) BindingDB Entry DOI: 10.7270/Q2HM57P7
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