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BDBM208487 US9266870, 3

InChI string: InChI=1/C23H22FN7O2/c1-16-3-6-21(31-26-8-9-27-31)18(13-16)23(32)30-10-2-12-33-22(30)15-29-11-7-20(28-29)19-5-4-17(24)14-25-19/h3-9,11,13-14,22H,2,10,12,15H2,1H3

SMILES: Cc1ccc(c(c1)C(=O)N1CCCOC1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1

InChI Key: InChIKey=AEZZJXJIJFSUEM-UHFFFAOYNA-N

Data: 2 IC50

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 = 208487   
Target
(Institution)
LigandTarget
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 2


(Homo sapiens (Human))
BDBM208487
PNG
(US9266870, 3)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCOC1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1
Show InChI InChI=1/C23H22FN7O2/c1-16-3-6-21(31-26-8-9-27-31)18(13-16)23(32)30-10-2-12-33-22(30)15-29-11-7-20(28-29)19-5-4-17(24)14-25-19/h3-9,11,13-14,22H,2,10,12,15H2,1H3
PDB

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PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 1.20n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Orexin receptor 1


(Homo sapiens (Human))
BDBM208487
PNG
(US9266870, 3)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCOC1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1
Show InChI InChI=1/C23H22FN7O2/c1-16-3-6-21(31-26-8-9-27-31)18(13-16)23(32)30-10-2-12-33-22(30)15-29-11-7-20(28-29)19-5-4-17(24)14-25-19/h3-9,11,13-14,22H,2,10,12,15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 0.700n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair