BindingDB logo
myBDB logout

null

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

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 559677   
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))		BDBM559677
PNG
(WO2022109117, Example 22)
Show SMILES C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2CO[C@H]3CC[C@H](CC3)c3cccc(CCCCCC(=O)N12)c3 |wD:3.3,14.14,17.16,11.34,1.0,(16.59,6.33,;16.09,4.9,;16.95,3.65,;16.03,2.44,;16.46,.99,;17.93,.64,;18.28,2.11,;17.58,-.83,;19.41,.29,;19.84,-1.16,;20.45,1.39,;14.6,2.95,;13.99,1.5,;12.85,.42,;11.3,.14,;11.04,1.65,;9.62,2.19,;8.37,1.3,;8.65,-.24,;10.07,-.81,;7.16,2.39,;5.61,2.3,;4.7,3.53,;5.34,4.91,;6.87,5.11,;7.57,6.51,;8.71,7.54,;10.18,7.98,;11.71,7.85,;13.09,7.15,;14.12,5.98,;15.43,6.74,;14.63,4.46,;7.72,3.83,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022109117
n/an/a 0.230n/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