Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM559737'   

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))	BDBM559737 (WO2022109117, Example 82) Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3nc(OCCOC(=O)N12)c(F)cc3F |wD:1.0,3.3,9.29,(-.98,-5.13,;-.61,-3.66,;-1.58,-2.49,;-.77,-1.2,;-1.33,.21,;-2.84,.42,;-4.34,.64,;-3.05,-1.08,;-2.62,1.93,;.7,-1.58,;1.19,-.08,;2.22,1.16,;3.84,1.48,;5.17,2.32,;6.6,1.74,;6.8,.18,;5.51,-.66,;4.14,-.02,;7.91,-1.01,;7.18,-2.37,;7.9,-3.73,;7.03,-5,;5.73,-5.83,;4.19,-6,;2.71,-5.54,;1.51,-4.53,;.31,-5.46,;.8,-3.09,;9.46,-3.77,;10.21,-5.09,;10.19,-2.45,;9.48,-1.1,;10.3,.18,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022109117	n/a	n/a	0.0700	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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