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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 1' and Ligand = 'BDBM334650'   
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 1


(Homo sapiens (Human))
BDBM334650
PNG
(US9732075, Example 4.16 | [5-(3-Chloro-phenyl)-2-m...)
Show SMILES C[C@H]1CCN([C@@H]1c1nc2c(C)cc(C)cc2[nH]1)C(=O)c1nc(C)sc1-c1cccc(Cl)c1
Show InChI InChI=1S/C25H25ClN4OS/c1-13-10-15(3)20-19(11-13)28-24(29-20)22-14(2)8-9-30(22)25(31)21-23(32-16(4)27-21)17-6-5-7-18(26)12-17/h5-7,10-12,14,22H,8-9H2,1-4H3,(H,28,29)/t14-,22-/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)

More data for this
Ligand-Target Pair