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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(OCCCCC(=O)N12)c3

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 559674   
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))		BDBM559674
PNG
(WO2022109117, Example 19)
Show SMILES C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2CO[C@H]3CC[C@H](CC3)c3cccc(OCCCCC(=O)N12)c3 |wD:3.3,14.14,17.16,11.34,1.0,(17.21,6.5,;16.71,5.07,;17.57,3.81,;16.65,2.61,;17.08,1.15,;18.56,.8,;18.91,2.28,;18.21,-.68,;20.04,.45,;20.47,-1.01,;21.08,1.55,;15.21,3.11,;14.61,1.66,;13.46,.58,;11.91,.29,;11.65,1.81,;10.23,2.36,;8.97,1.46,;9.26,-.08,;10.68,-.66,;7.76,2.55,;6.2,2.47,;5.29,3.7,;5.94,5.08,;7.47,5.28,;8.17,6.68,;9.32,7.72,;10.79,8.16,;12.33,8.02,;13.7,7.32,;14.73,6.15,;16.05,6.91,;15.25,4.63,;8.32,4,)|
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