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

InChI Key:

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 559716   
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))		BDBM559716
PNG
(WO2022109117, Example 61)
Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3cccc(OCCCOC(=O)N12)n3 |wD:1.0,3.3,9.32,(16.42,6.26,;15.92,4.82,;16.78,3.57,;15.86,2.36,;16.29,.91,;17.77,.55,;19.25,.2,;18.13,2.03,;17.42,-.93,;14.42,2.87,;13.82,1.42,;12.67,.34,;11.12,.05,;10.85,1.56,;9.44,2.11,;8.17,1.22,;8.46,-.33,;9.89,-.9,;6.96,2.31,;5.4,2.22,;4.49,3.45,;5.13,4.84,;6.67,5.04,;7.38,6.45,;8.52,7.48,;9.99,7.92,;11.53,7.79,;12.91,7.09,;13.94,5.91,;15.26,6.68,;14.46,4.39,;7.52,3.76,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022109117
n/an/a 0.0500n/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