Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM143552'   

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 2 (Homo sapiens (Human))	BDBM143552 (US9682955, 76) Show SMILES OCCNC(=O)CCc1ccc(cc1)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C37H37Cl2N5O2/c38-29-9-4-26(5-10-29)36(27-6-11-30(39)12-7-27)28-8-15-34-33(23-28)37(42-24-41-34)43-31-17-20-44(21-18-31)32-13-1-25(2-14-32)3-16-35(46)40-19-22-45/h1-2,4-15,23-24,31,36,45H,3,16-22H2,(H,40,46)(H,41,42,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	27
Janssen Pharmaceutica NV US Patent					Assay Description The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...				US Patent US9682955 (2017) BindingDB Entry DOI: 10.7270/Q2707ZM3
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