Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM210690'   

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))	BDBM210690 (US9290451, 344) Show SMILES CC(C)C[C@@H](CNc1ccc([N+]([O-])=O)c2nonc12)NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1 |r| Show InChI InChI=1S/C26H33N7O5/c1-16(2)13-18(14-27-19-7-9-21(33(35)36)24-23(19)30-38-31-24)28-25(34)20-8-10-22(32-11-3-4-12-32)26(29-20)37-15-17-5-6-17/h7-10,16-18,27H,3-6,11-15H2,1-2H3,(H,28,34)/t18-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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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