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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 347774   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM347774
PNG
(US9790220, Example 7)
Show SMILES COc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2o1 |r|
Show InChI InChI=1S/C19H19FN4O3/c1-26-15-6-3-9-21-17(15)18(25)22-12-4-2-5-13(12)23-19-24-14-8-7-11(20)10-16(14)27-19/h3,6-10,12-13H,2,4-5H2,1H3,(H,22,25)(H,23,24)/t12-,13-/m0/s1
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 540n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM347774
PNG
(US9790220, Example 7)
Show SMILES COc1cccnc1C(=O)N[C@H]1CCC[C@@H]1Nc1nc2ccc(F)cc2o1 |r|
Show InChI InChI=1S/C19H19FN4O3/c1-26-15-6-3-9-21-17(15)18(25)22-12-4-2-5-13(12)23-19-24-14-8-7-11(20)10-16(14)27-19/h3,6-10,12-13H,2,4-5H2,1H3,(H,22,25)(H,23,24)/t12-,13-/m0/s1
PDB

Reactome pathway
KEGG

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



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Orexin antagonist activity was determined by measuring changes in intracellular calcium levels using a Ca2+ sensitive fluorescent dye. The changes in...


US Patent US9790220 (2017)


BindingDB Entry DOI: 10.7270/Q2FF3VHB
More data for this
Ligand-Target Pair