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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 102139   
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))
BDBM102139
PNG
(US8530648, 36)
Show SMILES O=C1N(Cc2cccc3OCOc23)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C25H26N4O3/c30-24-25(9-4-12-29(24)16-18-5-3-8-21-23(18)32-17-31-21)10-13-28(14-11-25)22-15-26-19-6-1-2-7-20(19)27-22/h1-3,5-8,15H,4,9-14,16-17H2
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PC cid
PC sid
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Similars

US Patent
35n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM102139
PNG
(US8530648, 36)
Show SMILES O=C1N(Cc2cccc3OCOc23)CCCC11CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C25H26N4O3/c30-24-25(9-4-12-29(24)16-18-5-3-8-21-23(18)32-17-31-21)10-13-28(14-11-25)22-15-26-19-6-1-2-7-20(19)27-22/h1-3,5-8,15H,4,9-14,16-17H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
904n/an/an/an/an/an/a7.4n/a



Novartis AG

US Patent


Assay Description
FLIPR assay using orexin receptor.


US Patent US8530648 (2013)


BindingDB Entry DOI: 10.7270/Q2SB44DR
More data for this
Ligand-Target Pair