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SMILES: Cc1ccc(c(c1)C(=O)N1CCCOC1Cn1cc(cn1)-c1ccc(F)cc1)-c1ncccn1

InChI Key: InChIKey=LHSPBVKFWDHYSG-UHFFFAOYSA-N

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 2 hits for monomerid = 208527   
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))
BDBM208527
PNG
(US9266870, 43)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCOC1Cn1cc(cn1)-c1ccc(F)cc1)-c1ncccn1
Show InChI InChI=1S/C26H24FN5O2/c1-18-4-9-22(25-28-10-2-11-29-25)23(14-18)26(33)32-12-3-13-34-24(32)17-31-16-20(15-30-31)19-5-7-21(27)8-6-19/h2,4-11,14-16,24H,3,12-13,17H2,1H3
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.20n/an/an/an/a7.437



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...


US Patent US9266870 (2016)


BindingDB Entry DOI: 10.7270/Q2J38RCP
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM208527
PNG
(US9266870, 43)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCOC1Cn1cc(cn1)-c1ccc(F)cc1)-c1ncccn1
Show InChI InChI=1S/C26H24FN5O2/c1-18-4-9-22(25-28-10-2-11-29-25)23(14-18)26(33)32-12-3-13-34-24(32)17-31-16-20(15-30-31)19-5-7-21(27)8-6-19/h2,4-11,14-16,24H,3,12-13,17H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.60n/an/an/an/a7.437



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
The antagonistic activities of the test compounds on human orexin-1 receptor (hOX1R) and orexin-2 receptor (hOX2R) were measured by modifying from th...


US Patent US9266870 (2016)


BindingDB Entry DOI: 10.7270/Q2J38RCP
More data for this
Ligand-Target Pair