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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 = 'BDBM335277'   
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))
BDBM335277
PNG
(US11040966, Example 6.49 | US9732075, Example 6.49...)
Show SMILES CSc1cccc2[nH]c(nc12)[C@@H]1CC(=C)CN1C(=O)c1nc(C)sc1-c1ccc(C)c(C)c1
Show InChI InChI=1S/C26H26N4OS2/c1-14-11-20(25-28-19-7-6-8-21(32-5)22(19)29-25)30(13-14)26(31)23-24(33-17(4)27-23)18-10-9-15(2)16(3)12-18/h6-10,12,20H,1,11,13H2,2-5H3,(H,28,29)/t20-/m0/s1
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US Patent
n/an/a 1n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)


BindingDB Entry DOI: 10.7270/Q29P33S0
More data for this
Ligand-Target Pair