Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50054469'   

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 (Rattus norvegicus (rat))	BDBM50054469 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenethioic aci...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=S)NCCO Show InChI InChI=1S/C22H37NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from Cannabinoid receptor 1 of rat forebrain membranes				J Med Chem 39: 4515-9 (1996) Article DOI: 10.1021/jm960152y BindingDB Entry DOI: 10.7270/Q2HH6J5K
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