Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50265647'   

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))	BDBM50265647 ((3-methoxynaphthalen-2-yl)(1-pentyl-1H-indol-3-yl)...) Show SMILES CCCCCn1cc(C(=O)c2cc3ccccc3cc2OC)c2ccccc12 Show InChI InChI=1S/C25H25NO2/c1-3-4-9-14-26-17-22(20-12-7-8-13-23(20)26)25(27)21-15-18-10-5-6-11-19(18)16-24(21)28-2/h5-8,10-13,15-17H,3-4,9,14H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	381	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
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