Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50074621'   

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))	BDBM50074621 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (4...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC1CC[C@H](O)CC1 |wD:25.25,(19.45,-8.1,;19.47,-6.56,;18.14,-5.79,;16.82,-6.58,;15.5,-5.81,;14.16,-6.59,;12.62,-6.59,;11.3,-5.82,;9.98,-6.59,;8.44,-6.59,;7.68,-5.27,;8.45,-3.95,;9.99,-3.95,;11.33,-4.72,;12.65,-3.93,;14.19,-3.93,;15.51,-4.7,;16.84,-3.93,;18.17,-4.7,;19.49,-3.91,;19.49,-2.37,;20.82,-4.68,;22.15,-3.91,;22.15,-2.37,;23.49,-1.6,;24.81,-2.39,;26.16,-1.62,;24.81,-3.93,;23.49,-4.68,)| Show InChI InChI=1S/C26H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)27-24-20-22-25(28)23-21-24/h6-7,9-10,12-13,15-16,24-25,28H,2-5,8,11,14,17-23H2,1H3,(H,27,29)/b7-6-,10-9-,13-12-,16-15-/t24?,25-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	217	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Tested for binding affinity to Cannabinoid receptor 1				J Med Chem 42: 896-902 (1999) Article DOI: 10.1021/jm980461j BindingDB Entry DOI: 10.7270/Q2XG9Q9Z
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