Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1' and Ligand = 'BDBM50175568'   

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 M1 (RAT)	BDBM50175568 (4-Phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylic ...) Show SMILES O=C(O[C@H]1CN2CCC1CC2)N1CC(c2ccccc2)c2ccccc2C1 |wD:3.2,(7.93,-6.34,;7.95,-4.79,;9.3,-4.04,;10.64,-4.84,;10.61,-6.41,;11.93,-7.19,;13.28,-6.45,;13.31,-4.9,;11.98,-4.09,;11.22,-5.37,;12.63,-6.08,;6.63,-4.01,;6.65,-2.51,;5.36,-1.74,;5.38,-.2,;6.74,.56,;6.77,2.1,;5.44,2.9,;4.08,2.15,;4.06,.6,;4.06,-2.47,;2.78,-1.71,;1.48,-2.44,;1.44,-3.93,;2.73,-4.69,;4.04,-3.97,;5.31,-4.74,)| Show InChI InChI=1S/C23H26N2O2/c26-23(27-22-16-24-12-10-18(22)11-13-24)25-14-19-8-4-5-9-20(19)21(15-25)17-6-2-1-3-7-17/h1-9,18,21-22H,10-16H2/t21?,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Binding affinity for rat cortex muscarinic acetylcholine receptor M1 using [3H]pirenzepine				J Med Chem 48: 6597-606 (2005) Article DOI: 10.1021/jm050099q BindingDB Entry DOI: 10.7270/Q2NP257C
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