Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM210657'   

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))	BDBM210657 (US9290451, 325) Show SMILES CC(C)CC(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1cccnc1 Show InChI InChI=1S/C23H28F2N4O2/c1-15(2)10-19(17-4-3-9-26-11-17)27-21(30)18-7-8-20(29-13-23(24,25)14-29)22(28-18)31-12-16-5-6-16/h3-4,7-9,11,15-16,19H,5-6,10,12-14H2,1-2H3,(H,27,30)	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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