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SMILES: C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3cccc(OCCOC(=O)N12)n3

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 559715   
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))		BDBM559715
PNG
(WO2022109117, Example 60)
Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3cccc(OCCOC(=O)N12)n3 |wD:1.0,3.3,9.31,(-.5,-5.39,;-.13,-3.92,;-1.1,-2.75,;-.29,-1.46,;-.85,-.05,;-2.36,.17,;-3.86,.38,;-2.58,-1.34,;-2.14,1.67,;1.18,-1.84,;1.67,-.33,;2.7,.9,;4.32,1.22,;5.65,2.06,;7.08,1.48,;7.28,-.08,;5.99,-.92,;4.62,-.28,;8.39,-1.27,;9.96,-1.36,;10.67,-2.71,;9.94,-4.03,;8.38,-3.99,;7.51,-5.26,;6.21,-6.09,;4.67,-6.26,;3.19,-5.8,;1.99,-4.79,;.79,-5.72,;1.28,-3.35,;7.66,-2.63,)|
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022109117
n/an/a 0.0400n/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