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SMILES: Fc1ccc(nc1)-c1ccn(CC2OCCN2C(=O)c2ccccc2-n2nccn2)n1

InChI Key: InChIKey=RJEDZMXVJSJGGM-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 = 208495   
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))
BDBM208495
PNG
(US9266870, 11)
Show SMILES Fc1ccc(nc1)-c1ccn(CC2OCCN2C(=O)c2ccccc2-n2nccn2)n1 |w:12.12|
Show InChI InChI=1S/C21H18FN7O2/c22-15-5-6-17(23-13-15)18-7-10-27(26-18)14-20-28(11-12-31-20)21(30)16-3-1-2-4-19(16)29-24-8-9-25-29/h1-10,13,20H,11-12,14H2
PDB

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UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 252n/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))
BDBM208495
PNG
(US9266870, 11)
Show SMILES Fc1ccc(nc1)-c1ccn(CC2OCCN2C(=O)c2ccccc2-n2nccn2)n1 |w:12.12|
Show InChI InChI=1S/C21H18FN7O2/c22-15-5-6-17(23-13-15)18-7-10-27(26-18)14-20-28(11-12-31-20)21(30)16-3-1-2-4-19(16)29-24-8-9-25-29/h1-10,13,20H,11-12,14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17.5n/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