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SMILES: C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3nc(OCCOC(=O)N12)ccc3OC(F)(F)F

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 559713   
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))		BDBM559713
PNG
(WO2022109117, Example 58)
Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3nc(OCCOC(=O)N12)ccc3OC(F)(F)F |wD:1.0,3.3,9.29,(-.46,-5.42,;-.09,-3.95,;-1.06,-2.78,;-.25,-1.49,;-.81,-.07,;-2.32,.15,;-3.83,.36,;-2.54,-1.36,;-2.1,1.65,;1.23,-1.86,;1.71,-.36,;2.75,.88,;4.37,1.21,;5.71,2.05,;7.14,1.46,;7.35,-.1,;6.05,-.94,;4.67,-.3,;8.46,-1.29,;7.72,-2.65,;8.45,-4.02,;7.57,-5.29,;6.27,-6.12,;4.72,-6.29,;3.24,-5.84,;2.04,-4.82,;.84,-5.76,;1.33,-3.38,;10.01,-4.06,;10.74,-2.73,;10.03,-1.38,;10.85,-.1,;10.15,1.25,;8.63,1.32,;10.98,2.53,;11.67,1.18,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022109117
n/an/a 0.300n/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