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BDBM203192 US9242970, 374

SMILES: CCOc1cccc(F)c1C1CC(C)C(=O)N1Cc1cccc(OC(F)F)c1

InChI Key: InChIKey=QBJBEALOLFIXNB-UHFFFAOYSA-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 = 203192   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orexin receptor type 1


(Homo sapiens (Human))
BDBM203192
PNG
(US9242970, 374)
Show SMILES CCOc1cccc(F)c1C1CC(C)C(=O)N1Cc1cccc(OC(F)F)c1
Show InChI InChI=1S/C21H22F3NO3/c1-3-27-18-9-5-8-16(22)19(18)17-10-13(2)20(26)25(17)12-14-6-4-7-15(11-14)28-21(23)24/h4-9,11,13,17,21H,3,10,12H2,1-2H3
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 976n/an/an/an/an/a37



Actelion Pharmaceuticals Ltd

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM203192
PNG
(US9242970, 374)
Show SMILES CCOc1cccc(F)c1C1CC(C)C(=O)N1Cc1cccc(OC(F)F)c1
Show InChI InChI=1S/C21H22F3NO3/c1-3-27-18-9-5-8-16(22)19(18)17-10-13(2)20(26)25(17)12-14-6-4-7-15(11-14)28-21(23)24/h4-9,11,13,17,21H,3,10,12H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 41n/an/an/an/an/a37



Actelion Pharmaceuticals Ltd

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)


BindingDB Entry DOI: 10.7270/Q2R49PK4
More data for this
Ligand-Target Pair