Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50291395'   

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))	BDBM50291395 (CHEMBL168149 | N-Ethyl-4-fluoro-N-[4-(1-{2-[10-(4-...) Show SMILES CCN(CCCCC1CCN(CC(=O)N2c3ccccc3N(C(=O)c3ccc(F)cc3)C(=O)c3ccccc23)CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C40H40F2N4O4/c1-2-44(38(48)29-14-18-31(41)19-15-29)24-8-7-9-28-22-25-43(26-23-28)27-37(47)45-34-11-4-3-10-33(34)40(50)46(36-13-6-5-12-35(36)45)39(49)30-16-20-32(42)21-17-30/h3-6,10-21,28H,2,7-9,22-27H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for the binding affinity against muscarinic receptor subtype 3 (M3)				Bioorg Med Chem Lett 7: 799-804 (1997) Article DOI: 10.1016/S0960-894X(97)00109-1 BindingDB Entry DOI: 10.7270/Q22N529J
					More data for this Ligand-Target Pair