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SMILES: COc1cc2nc(OCCOC(=O)N3[C@H](C)C[C@H](NS(C)(=O)=O)[C@@H]3COC3CCC2CC3)c1F

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 559729   
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))		BDBM559729
PNG
(WO2022109117, Example 74)
Show SMILES COc1cc2nc(OCCOC(=O)N3[C@H](C)C[C@H](NS(C)(=O)=O)[C@@H]3COC3CCC2CC3)c1F |wD:14.14,17.17,23.23,(12.59,-3.85,;11.84,-2.53,;10.32,-2.51,;9.61,-1.17,;8.05,-1.08,;7.31,-2.43,;8.04,-3.79,;7.16,-5.06,;5.86,-5.89,;4.32,-6.06,;2.84,-5.61,;1.65,-4.59,;.45,-5.53,;.94,-3.16,;-.47,-3.72,;-.84,-5.19,;-1.44,-2.56,;-.63,-1.27,;-1.2,.14,;-2.7,.36,;-4.2,.57,;-2.92,-1.15,;-2.48,1.86,;.84,-1.64,;1.32,-.14,;2.36,1.09,;3.97,1.41,;5.3,2.25,;6.73,1.67,;6.94,.11,;5.64,-.73,;4.27,-.09,;9.59,-3.84,;10.34,-5.16,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022109117
n/an/a 0.240n/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