Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM221341'   

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))	BDBM221341 (US9303023, 40) Show SMILES COc1ccc2[nH]cc(CCn3cc(NC(=O)c4ncoc4-c4cccc(c4)-c4ccccc4)cn3)c2c1 Show InChI InChI=1S/C30H25N5O3/c1-37-25-10-11-27-26(15-25)23(16-31-27)12-13-35-18-24(17-33-35)34-30(36)28-29(38-19-32-28)22-9-5-8-21(14-22)20-6-3-2-4-7-20/h2-11,14-19,31H,12-13H2,1H3,(H,34,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...				US Patent US9303023 (2016) BindingDB Entry DOI: 10.7270/Q2251H10
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