Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM221157'   

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))	BDBM221157 (US9303012, 83) Show SMILES OC1COC2(CN(C2)C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)C1 Show InChI InChI=1S/C19H23F2N3O4/c20-19(21)10-23(11-19)15-4-3-14(22-16(15)27-6-12-1-2-12)17(26)24-8-18(9-24)5-13(25)7-28-18/h3-4,12-13,25H,1-2,5-11H2	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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