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SMILES: COc1cc2OCCCOC(=O)N3[C@H](C)C[C@H](NS(=O)(=O)CF)[C@@H]3COC3CCC(CC3)c(c1)n2

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 = 559764   
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))		BDBM559764
PNG
(WO2022109117, Example 107)
Show SMILES COc1cc2OCCCOC(=O)N3[C@H](C)C[C@H](NS(=O)(=O)CF)[C@@H]3COC3CCC(CC3)c(c1)n2 |wD:16.16,13.13,23.23,(3.75,3.52,;4.63,2.28,;6.15,2.43,;6.8,3.81,;8.34,4.01,;9.05,5.41,;10.21,6.44,;11.68,6.88,;13.22,6.73,;14.6,6.02,;15.62,4.85,;16.94,5.61,;16.14,3.36,;17.6,3.79,;18.11,5.22,;18.46,2.53,;17.53,1.33,;17.96,-.13,;19.44,-.49,;19.8,.99,;19.08,-1.97,;20.92,-.85,;21.34,-2.31,;16.09,1.84,;15.48,.34,;14.32,-.73,;12.77,-1.01,;12.51,.51,;11.1,1.06,;9.83,.17,;10.11,-1.37,;11.53,-1.96,;8.62,1.27,;7.06,1.19,;9.19,2.72,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022109117
n/an/a 0.400n/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