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SMILES: CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)n1ncc(n1)C(C)(C)O

InChI Key: InChIKey=NHDHGTRMHMUSIA-HUUCEWRRSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 401795   
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/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM401795
PNG
((2-Ethoxyphenyl)((2R,5R)-5-(4-(2-hydroxypropan-2-y...)
Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)n1ncc(n1)C(C)(C)O
Show InChI InChI=1S/C20H28N4O3/c1-5-27-17-9-7-6-8-16(17)19(25)23-13-15(11-10-14(23)2)24-21-12-18(22-24)20(3,4)26/h6-9,12,14-15,26H,5,10-11,13H2,1-4H3/t14-,15-/m1/s1
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Manchester



Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...


J Med Chem 52: 7142-56 (2009)


BindingDB Entry DOI: 10.7270/Q2S75JPN
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Rattus norvegicus (Rat))
BDBM401795
PNG
((2-Ethoxyphenyl)((2R,5R)-5-(4-(2-hydroxypropan-2-y...)
Show SMILES CCOc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)n1ncc(n1)C(C)(C)O
Show InChI InChI=1S/C20H28N4O3/c1-5-27-17-9-7-6-8-16(17)19(25)23-13-15(11-10-14(23)2)24-21-12-18(22-24)20(3,4)26/h6-9,12,14-15,26H,5,10-11,13H2,1-4H3/t14-,15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 31.3n/an/an/an/an/an/a



University of Manchester



Assay Description
For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...


J Med Chem 52: 7142-56 (2009)


BindingDB Entry DOI: 10.7270/Q2S75JPN
More data for this
Ligand-Target Pair