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Compile Data Set for Download or QSAR

Found 4 hits of kd for monomerid = 123325   
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 receptor type 2


(Homo sapiens (Human))
BDBM123325
PNG
(US8742106, 1.4)
Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1
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US Patent
n/an/an/a 3n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM123325
PNG
(US8742106, 1.4)
Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1
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US Patent
n/an/an/a 4n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM123325
PNG
(US8742106, 1.4)
Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1
PDB

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US Patent
n/an/an/a 7n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM123325
PNG
(US8742106, 1.4)
Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H23F3N4O3/c1-15(16-9-11-18(34-3)12-10-16)29-20(33)14-35-21-13-19(25(26,27)28)22-23(17-7-5-4-6-8-17)31-32(2)24(22)30-21/h4-13,15H,14H2,1-3H3,(H,29,33)/t15-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/a 8n/an/an/a7.54



Novartis AG

US Patent


Assay Description
For crude cell membrane preparations, cells (CHO, Chinese hamster ovary or HEK, human embryonic kidney) expressing human orexin 1 or human orexin 2 r...


US Patent US8742106 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DSW
More data for this
Ligand-Target Pair