Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50495626'   

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))	BDBM50495626 (CHEMBL3114182) Show SMILES Fc1ccc(Cn2cc(cc(C(=O)NC3CCCCCC3)c2=O)-c2ccccc2)cc1 Show InChI InChI=1S/C26H27FN2O2/c27-22-14-12-19(13-15-22)17-29-18-21(20-8-4-3-5-9-20)16-24(26(29)31)25(30)28-23-10-6-1-2-7-11-23/h3-5,8-9,12-16,18,23H,1-2,6-7,10-11,17H2,(H,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
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