BDBM50418010 CHEMBL1682268

SMILES: COCCN(Cc1nc(ns1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12)S(C)(=O)=O

InChI Key: InChIKey=ALKLMHCIYFJFNF-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 = 50418010   

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
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50418010 (CHEMBL1682268) Show SMILES COCCN(Cc1nc(ns1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12)S(C)(=O)=O Show InChI InChI=1S/C21H27ClN4O4S2/c1-29-11-8-26(32(2,27)28)14-19-23-21(24-31-19)17-13-25(12-15-6-9-30-10-7-15)20-16(17)4-3-5-18(20)22/h3-5,13,15H,6-12,14H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	79.4	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay				Bioorg Med Chem Lett 21: 1748-53 (2011) Article DOI: 10.1016/j.bmcl.2011.01.082 BindingDB Entry DOI: 10.7270/Q2HD7WWG
					More data for this Ligand-Target Pair