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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM123373'   
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))
BDBM123373
PNG
(US8742106, 6.13)
Show SMILES C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)C1CC1)C(F)(F)F)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C22H23F3N4O2/c1-12-4-6-14(7-5-12)13(2)26-17(30)11-31-18-10-16(22(23,24)25)19-20(15-8-9-15)28-29(3)21(19)27-18/h4-7,10,13,15H,8-9,11H2,1-3H3,(H,26,30)/t13-/m0/s1
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Similars

US Patent
n/an/an/a 14n/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