Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50267602'   

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))	BDBM50267602 (11-(3-hydroxy-5-(2-methyloctan-2-yl)phenoxy)-N-(2-...) Show SMILES CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NCCO)c1 Show InChI InChI=1S/C28H49NO4/c1-4-5-6-14-17-28(2,3)24-21-25(31)23-26(22-24)33-20-15-12-10-8-7-9-11-13-16-27(32)29-18-19-30/h21-23,30-31H,4-20H2,1-3H3,(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to human recombinant CB1 receptor expressed in african green monkey COS cells by radioligand binding assay				J Med Chem 52: 2506-14 (2009) Article DOI: 10.1021/jm8016255 BindingDB Entry DOI: 10.7270/Q2X34XCN
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