BDBM50423944 CHEMBL2313400

SMILES: COc1ccc(NC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1

InChI Key: InChIKey=CJRUILKGAAWIQU-UHFFFAOYSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50423944   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50423944 (CHEMBL2313400) Show SMILES COc1ccc(NC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1 Show InChI InChI=1S/C17H16ClN3O2S/c1-8-12-14(19)15(24-17(12)20-9(2)13(8)18)16(22)21-10-4-6-11(23-3)7-5-10/h4-7H,19H2,1-3H3,(H,21,22)	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 muscarinic M4 receptor expressed in CHO-K1 cells assessed as leftward shift in acetylcholine response treated...				Bioorg Med Chem Lett 23: 346-50 (2012) Article DOI: 10.1016/j.bmcl.2012.10.073 BindingDB Entry DOI: 10.7270/Q2N29Z8S
					More data for this Ligand-Target Pair