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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 = 'BDBM335165'   
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))
BDBM335165
PNG
(US9732075, Example 6.125 | [5-(3-Bromo-4-fluoro-ph...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3ccc(Cl)c(C)c3[nH]2)c(s1)-c1ccc(F)c(Br)c1
Show InChI InChI=1S/C24H19BrClFN4OS/c1-11-8-19(23-29-18-7-5-16(26)12(2)20(18)30-23)31(10-11)24(32)21-22(33-13(3)28-21)14-4-6-17(27)15(25)9-14/h4-7,9,19H,1,8,10H2,2-3H3,(H,29,30)/t19-/m0/s1
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PC cid
PC sid
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US Patent
n/an/a 0.800n/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)

More data for this
Ligand-Target Pair