Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50325583'   

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))	BDBM50325583 (3-pentyl-4-phenyl-N-(2-(trifluoromethyl)phenyl)-4,...) Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F |t:5| Show InChI InChI=1S/C22H24F3N3O/c1-2-3-5-13-19-17(16-10-6-4-7-11-16)15-28(27-19)21(29)26-20-14-9-8-12-18(20)22(23,24)25/h4,6-12,14,17H,2-3,5,13,15H2,1H3,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products BV Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4992-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.056 BindingDB Entry DOI: 10.7270/Q27S7P0N
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