Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 276.3 BDBM50420092

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))	BDBM50420092 (CHEMBL2057385) Show SMILES COc1ccc(C)c2sc(NC(=O)C3CCC3)nc12 Show InChI InChI=1S/C14H16N2O2S/c1-8-6-7-10(18-2)11-12(8)19-14(15-11)16-13(17)9-4-3-5-9/h6-7,9H,3-5H2,1-2H3,(H,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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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