Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM123337'   

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
Orexin receptor type 2 (Homo sapiens (Human))	BDBM123337 (US8742106, 1.32) Show SMILES Cc1ccc(CNC(=O)COc2cc(c3c(nn(C)c3n2)-c2ccccc2)C(F)(F)F)cc1 Show InChI InChI=1S/C24H21F3N4O2/c1-15-8-10-16(11-9-15)13-28-19(32)14-33-20-12-18(24(25,26)27)21-22(17-6-4-3-5-7-17)30-31(2)23(21)29-20/h3-12H,13-14H2,1-2H3,(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	1.38E+3	n/a	n/a	n/a	7.5	4
Novartis AG US Patent					Assay Description For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...				US Patent US8742106 (2014) BindingDB Entry DOI: 10.7270/Q22V2DSW
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