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

InChI Key:

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 559745   
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))		BDBM559745
PNG
(WO2022109117, Example 90)
Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3cccc(NCCCOC(=O)N12)n3 |wD:3.3,9.32,1.0,(14.55,5.67,;14.04,4.23,;14.91,2.98,;13.98,1.77,;14.42,.31,;15.9,-.04,;17.38,-.39,;16.25,1.44,;15.55,-1.52,;12.55,2.28,;11.94,.82,;10.79,-.25,;9.24,-.54,;8.97,.97,;7.56,1.52,;6.29,.62,;6.58,-.92,;8.01,-1.5,;5.08,1.72,;3.52,1.63,;2.61,2.86,;3.25,4.25,;4.79,4.45,;5.49,5.86,;6.64,6.89,;8.11,7.33,;9.65,7.2,;11.03,6.5,;12.06,5.32,;13.38,6.09,;12.58,3.8,;5.64,3.17,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022109117
n/an/a 0.110n/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