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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 102177   
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))
BDBM102177
PNG
(US8530648, 107)
Show SMILES O=C1N(Cc2c[nH]c3ccccc23)CCCC11CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C27H28N4O/c32-26-27(10-5-13-31(26)19-21-17-28-25-9-4-2-7-23(21)25)11-14-30(15-12-27)22-16-20-6-1-3-8-24(20)29-18-22/h1-4,6-9,16-18,28H,5,10-15,19H2
PDB

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PC cid
PC sid
UniChem
US Patent
32n/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))
BDBM102177
PNG
(US8530648, 107)
Show SMILES O=C1N(Cc2c[nH]c3ccccc23)CCCC11CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C27H28N4O/c32-26-27(10-5-13-31(26)19-21-17-28-25-9-4-2-7-23(21)25)11-14-30(15-12-27)22-16-20-6-1-3-8-24(20)29-18-22/h1-4,6-9,16-18,28H,5,10-15,19H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.04E+3n/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