Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 304.4 BDBM50420105Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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 M4 (Homo sapiens (Human))	BDBM50420105 (CHEMBL2057377) Show SMILES COc1ccc(C)c2sc(NC(=O)C3CCCCC3)nc12 Show InChI InChI=1S/C16H20N2O2S/c1-10-8-9-12(20-2)13-14(10)21-16(17-13)18-15(19)11-6-4-3-5-7-11/h8-9,11H,3-7H2,1-2H3,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of human M4 receptor expressed in CHO-K1 cells coexpressing Gqi5 assessed as potentiation of acetylcholine-mediated ca...				Bioorg Med Chem Lett 22: 5084-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.109 BindingDB Entry DOI: 10.7270/Q25Q4XC1
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