Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM210611'   

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))	BDBM210611 (US9290451, 298) Show SMILES CCC(CC)(NC(=O)c1ccc(C2CC2)c(OCC(F)(F)C(F)(F)F)n1)C(=O)NC Show InChI InChI=1S/C19H24F5N3O3/c1-4-17(5-2,16(29)25-3)27-14(28)13-9-8-12(11-6-7-11)15(26-13)30-10-18(20,21)19(22,23)24/h8-9,11H,4-7,10H2,1-3H3,(H,25,29)(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9290451 (2016) BindingDB Entry DOI: 10.7270/Q20Z724J
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