Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50175115'   

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))	BDBM50175115 (CHEMBL199786 | N-(4-methoxyphenethyl)docos-13-enam...) Show SMILES CCCCCCCC\C=C/CCCCCCCCCCCC(=O)NCCc1ccc(OC)cc1 Show InChI InChI=1S/C31H53NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-31(33)32-28-27-29-23-25-30(34-2)26-24-29/h10-11,23-26H,3-9,12-22,27-28H2,1-2H3,(H,32,33)/b11-10-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomolecular Chemistry Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				Bioorg Med Chem Lett 16: 138-41 (2005) Article DOI: 10.1016/j.bmcl.2005.09.023 BindingDB Entry DOI: 10.7270/Q2JQ11SX
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