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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 102174   
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))
BDBM102174
PNG
(US8530648, 98)
Show SMILES Cn1ccc2c(CN3C(=O)CCCC33CCN(CC3)c3cnc4ccccc4n3)cccc12
Show InChI InChI=1S/C27H29N5O/c1-30-15-11-21-20(6-4-9-24(21)30)19-32-26(33)10-5-12-27(32)13-16-31(17-14-27)25-18-28-22-7-2-3-8-23(22)29-25/h2-4,6-9,11,15,18H,5,10,12-14,16-17,19H2,1H3
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PC cid
PC sid
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Similars

US Patent
48n/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))
BDBM102174
PNG
(US8530648, 98)
Show SMILES Cn1ccc2c(CN3C(=O)CCCC33CCN(CC3)c3cnc4ccccc4n3)cccc12
Show InChI InChI=1S/C27H29N5O/c1-30-15-11-21-20(6-4-9-24(21)30)19-32-26(33)10-5-12-27(32)13-16-31(17-14-27)25-18-28-22-7-2-3-8-23(22)29-25/h2-4,6-9,11,15,18H,5,10,12-14,16-17,19H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
64n/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