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SMILES: C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3nc(OCCOC(=O)N12)ccc3C(F)(F)F

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 = 559723   
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))		BDBM559723
PNG
(WO2022109117, Example 68)
Show SMILES C[C@@H]1C[C@H](NS(C)(=O)=O)[C@@H]2COC3CCC(CC3)c3nc(OCCOC(=O)N12)ccc3C(F)(F)F |wD:1.0,3.3,9.29,(-.72,-5.3,;-.34,-3.82,;-1.32,-2.65,;-.5,-1.35,;-1.07,.06,;-2.58,.28,;-4.09,.5,;-2.8,-1.23,;-2.36,1.79,;.98,-1.73,;1.46,-.22,;2.51,1.02,;4.13,1.34,;5.46,2.19,;6.9,1.6,;7.11,.04,;5.81,-.81,;4.43,-.17,;8.22,-1.16,;7.48,-2.52,;8.21,-3.89,;7.33,-5.17,;6.03,-6,;4.48,-6.17,;2.99,-5.72,;1.79,-4.7,;.59,-5.63,;1.08,-3.25,;9.77,-3.93,;10.51,-2.6,;9.8,-1.25,;10.62,.03,;9.92,1.39,;12.14,-.04,;11.32,-1.32,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022109117
n/an/a 0.330n/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