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SMILES: C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2CO[C@H]3CC[C@H](CC3)c3cccc(OCCCOC(=O)N12)c3

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 559668   
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))		BDBM559668
PNG
(WO2022109117, Example 13)
Show SMILES C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2CO[C@H]3CC[C@H](CC3)c3cccc(OCCCOC(=O)N12)c3 |wD:1.0,3.3,14.14,17.16,11.34,(17.2,6.5,;16.7,5.06,;17.56,3.81,;16.64,2.6,;17.07,1.14,;18.55,.79,;18.91,2.27,;18.2,-.69,;20.03,.44,;20.47,-1.02,;21.08,1.55,;15.2,3.11,;14.6,1.65,;13.45,.58,;11.9,.29,;11.63,1.8,;10.21,2.35,;8.95,1.45,;9.24,-.09,;10.66,-.66,;7.74,2.55,;6.18,2.46,;5.27,3.69,;5.91,5.08,;7.45,5.28,;8.15,6.68,;9.3,7.72,;10.77,8.16,;12.31,8.02,;13.69,7.32,;14.72,6.15,;16.04,6.91,;15.24,4.63,;8.3,4,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022109117
n/an/a 0.200n/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