Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM210604'   

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))	BDBM210604 (US9290451, 295) Show SMILES CC(C)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2(C)COC2)n1)c1nccs1 Show InChI InChI=1S/C20H24F2N4O3S/c1-18(2,17-23-6-7-30-17)25-15(27)13-4-5-14(26-8-20(21,22)9-26)16(24-13)29-12-19(3)10-28-11-19/h4-7H,8-12H2,1-3H3,(H,25,27)	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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