Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM221155'   

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))	BDBM221155 (US9303012, 81) Show SMILES Cc1nnc(CN(C2CC2)C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)o1 Show InChI InChI=1S/C20H23F2N5O3/c1-12-24-25-17(30-12)8-27(14-4-5-14)19(28)15-6-7-16(26-10-20(21,22)11-26)18(23-15)29-9-13-2-3-13/h6-7,13-14H,2-5,8-11H2,1H3	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
HOFFMAN-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 US9303012 (2016) BindingDB Entry DOI: 10.7270/Q2FF3R7H
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