Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50534863'   

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
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50534863 (CHEMBL4469642) Show SMILES COc1ccc2[nH]c(cc2c1)S(=O)(=O)NCc1ccc(cc1)-c1ccc(CO)cc1 Show InChI InChI=1S/C23H22N2O4S/c1-29-21-10-11-22-20(12-21)13-23(25-22)30(27,28)24-14-16-2-6-18(7-3-16)19-8-4-17(15-26)5-9-19/h2-13,24-26H,14-15H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
University of Aberdeen Curated by ChEMBL					Assay Description Negative allosteric modulation of human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940 induced beta arrestin recruitment pr...				Bioorg Med Chem Lett 26: 4403-4407 (2016) Article DOI: 10.1016/j.bmcl.2016.08.018 BindingDB Entry DOI: 10.7270/Q2P84GD8
					More data for this Ligand-Target Pair