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SMILES: CCS(=O)(=O)N[C@H]1C[C@@H](C)N2[C@H]1COC1CCC(CC1)c1cc(OC)cc(OCCCOC2=O)n1

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 559763   
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))		BDBM559763
PNG
(WO2022109117, Example 106)
Show SMILES CCS(=O)(=O)N[C@H]1C[C@@H](C)N2[C@H]1COC1CCC(CC1)c1cc(OC)cc(OCCCOC2=O)n1 |wD:6.5,8.8,11.10,(21.34,-2.31,;20.92,-.85,;19.44,-.49,;19.8,.99,;19.08,-1.97,;17.96,-.13,;17.53,1.33,;18.46,2.53,;17.6,3.79,;18.11,5.22,;16.14,3.36,;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,;6.15,2.43,;4.63,2.28,;3.75,3.52,;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,;9.19,2.72,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022109117
n/an/a 0.380n/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