Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM559748'   

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))	BDBM559748 (WO2022109117, Example 93) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3ccc(F)c(NCCCOC(=O)N12)n3 |wD:3.3,9.33,1.0,(14.23,5.58,;13.73,4.14,;14.59,2.89,;13.67,1.68,;14.1,.22,;15.58,-.13,;17.07,-.48,;15.94,1.35,;15.23,-1.61,;12.23,2.18,;11.62,.73,;10.48,-.35,;8.92,-.64,;8.66,.88,;7.24,1.43,;5.98,.53,;6.26,-1.01,;7.69,-1.59,;4.76,1.62,;3.2,1.54,;2.29,2.77,;2.93,4.16,;2.03,5.39,;4.47,4.36,;5.18,5.76,;6.32,6.8,;7.8,7.24,;9.34,7.11,;10.72,6.4,;11.75,5.23,;13.07,5.99,;12.27,3.71,;5.32,3.07,)| 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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