Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM221141'   

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))	BDBM221141 (US9303012, 67) Show SMILES CCOC(=O)C1CCCN(C1c1ccccc1)C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 Show InChI InChI=1S/C27H31F2N3O4/c1-2-35-26(34)20-9-6-14-32(23(20)19-7-4-3-5-8-19)25(33)21-12-13-22(31-16-27(28,29)17-31)24(30-21)36-15-18-10-11-18/h3-5,7-8,12-13,18,20,23H,2,6,9-11,14-17H2,1H3	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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