Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM143528'   

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))	BDBM143528 (US9682955, 66) Show SMILES NC(=O)CCCOc1nc(NCc2ccc(cc2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C33H27Cl2F3N4O2/c34-25-12-5-21(6-13-25)30(22-7-14-26(35)15-8-22)23-9-16-28-27(18-23)31(42-32(41-28)44-17-1-2-29(39)43)40-19-20-3-10-24(11-4-20)33(36,37)38/h3-16,18,30H,1-2,17,19H2,(H2,39,43)(H,40,41,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	845	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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