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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(OCCCC(=O)N12)c3

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 559675   
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))		BDBM559675
PNG
(WO2022109117, Example 20)
Show SMILES C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2CO[C@H]3CC[C@H](CC3)c3cccc(OCCCC(=O)N12)c3 |wU:14.14,17.16,wD:1.0,3.3,11.33,(16.31,5.89,;15.93,4.42,;16.91,3.25,;16.1,1.97,;16.66,.56,;18.16,.34,;18.38,1.84,;17.95,-1.16,;19.67,.12,;20.23,-1.29,;20.61,1.32,;14.63,2.34,;14.14,.84,;13.1,-.39,;11.49,-.71,;10.16,-1.55,;8.74,-.97,;8.53,.58,;9.82,1.42,;11.19,.79,;7.42,1.77,;5.85,1.87,;5.14,3.21,;5.88,4.53,;7.43,4.49,;8.3,5.76,;9.6,6.59,;11.14,6.76,;12.62,6.31,;13.82,5.29,;15.01,6.23,;14.53,3.86,;8.15,3.13,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022109117
n/an/a 0.100n/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