Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 345.3 BDBM50518729

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))	BDBM50518729 (CHEMBL4552552) Show SMILES COc1ccc(CNC(=O)c2cc3c(C)c(C)nnc3s2)cc1F Show InChI InChI=1S/C17H16FN3O2S/c1-9-10(2)20-21-17-12(9)7-15(24-17)16(22)19-8-11-4-5-14(23-3)13(18)6-11/h4-7H,8H2,1-3H3,(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilization				Bioorg Med Chem Lett 29: 362-366 (2019) Article DOI: 10.1016/j.bmcl.2018.12.039 BindingDB Entry DOI: 10.7270/Q2C53Q7Q
					More data for this Ligand-Target Pair