Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM559741'   

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))	BDBM559741 (WO2022109117, Example 86) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3cc(cc(OCCCOC(=O)N12)n3)C(F)F |wD:3.3,9.32,1.0,(14.65,5.71,;14.15,4.27,;15.01,3.01,;14.09,1.8,;14.52,.34,;16,-.01,;17.49,-.36,;16.36,1.47,;15.65,-1.49,;12.65,2.31,;12.04,.86,;10.89,-.22,;9.34,-.51,;9.07,1,;7.66,1.55,;6.39,.66,;6.68,-.89,;8.11,-1.47,;5.18,1.75,;3.62,1.66,;2.7,2.89,;3.35,4.28,;4.88,4.49,;5.59,5.89,;6.74,6.93,;8.21,7.37,;9.76,7.23,;11.14,6.53,;12.17,5.36,;13.49,6.12,;12.69,3.83,;5.74,3.2,;1.19,2.74,;.3,3.97,;.56,1.35,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a typical experiment, the OXI and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chines...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C53Q2G
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