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SMILES: COc1cc2OCCOC(=O)N3[C@H](C)C[C@H](NS(=O)(=O)C(F)F)[C@@H]3COC3CCC(CC3)c(c1)n2

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 559760   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Orexin receptor type 2


(Homo sapiens (Human))		BDBM559760
PNG
(WO2022109117, Example 105)
Show SMILES COc1cc2OCCOC(=O)N3[C@H](C)C[C@H](NS(=O)(=O)C(F)F)[C@@H]3COC3CCC(CC3)c(c1)n2 |wD:12.12,15.15,23.23,(2.45,1.83,;3.22,3.13,;4.74,3.12,;5.48,4.44,;7.03,4.4,;7.91,5.67,;9.21,6.5,;10.75,6.67,;12.23,6.21,;13.43,5.2,;14.62,6.13,;14.14,3.76,;15.55,4.33,;15.92,5.8,;16.52,3.16,;15.71,1.87,;16.27,.46,;17.78,.25,;17.99,1.75,;17.56,-1.26,;19.28,.03,;19.84,-1.38,;20.22,1.22,;14.24,2.25,;13.75,.75,;12.71,-.49,;11.1,-.81,;9.77,-1.65,;8.34,-1.07,;8.13,.49,;9.43,1.33,;10.8,.69,;7.02,1.68,;5.46,1.77,;7.76,3.04,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022109117
n/an/a 0.140n/an/an/an/an/an/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
More data for this
Ligand-Target Pair