Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50082775'   

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))	BDBM50082775 (CHEMBL3422786) Show SMILES CCCn1c2ccccc2cc(C(=O)NC2CCC(C)CC2)c1=O |(2.67,-5.08,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;5.06,.93,;3.99,3.08,;5.33,3.86,;5.33,5.4,;6.66,6.17,;7.99,5.4,;9.06,6.01,;7.99,3.86,;6.66,3.09,;2.66,-.77,;3.73,-1.38,)| Show InChI InChI=1S/C20H26N2O2/c1-3-12-22-18-7-5-4-6-15(18)13-17(20(22)24)19(23)21-16-10-8-14(2)9-11-16/h4-7,13-14,16H,3,8-12H2,1-2H3,(H,21,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from recombinant human CB1 receptor overexpressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 97: 10-8 (2015) Article DOI: 10.1016/j.ejmech.2015.04.034 BindingDB Entry DOI: 10.7270/Q2VQ34DS
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