Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM50408533'   

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 M2 (RAT)	BDBM50408533 (CHEMBL1202002) Show SMILES CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CC(=O)N1c2ccccc2NC(=O)c2cccnc12 Show InChI InChI=1S/C78H86N16O8/c1-87(47-21-7-9-23-49-89(51-67(95)91-63-37-15-11-33-59(63)83-75(99)55-29-25-41-79-71(55)91)52-68(96)92-64-38-16-12-34-60(64)84-76(100)56-30-26-42-80-72(56)92)45-19-5-3-4-6-20-46-88(2)48-22-8-10-24-50-90(53-69(97)93-65-39-17-13-35-61(65)85-77(101)57-31-27-43-81-73(57)93)54-70(98)94-66-40-18-14-36-62(66)86-78(102)58-32-28-44-82-74(58)94/h11-18,25-44H,3-10,19-24,45-54H2,1-2H3,(H,83,99)(H,84,100)(H,85,101)(H,86,102)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of [3H]NMS binding to rat heart Muscarinic acetylcholine receptor M2				J Med Chem 41: 4150-60 (1998) Checked by Author Article DOI: 10.1021/jm981038d BindingDB Entry DOI: 10.7270/Q2KH0PJH
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