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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 = 'BDBM373429'   
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))
BDBM373429
PNG
(((2S,3R)-2-(((3-Fluoro-5-(trifluoromethyl)pyridin-...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ncc(cc1F)C(F)(F)F)C(=O)c1nc(C)ccc1-n1nccn1
Show InChI InChI=1/C22H23F4N7O/c1-13-4-3-9-32(18(13)12-28-20-16(23)10-15(11-27-20)22(24,25)26)21(34)19-17(6-5-14(2)31-19)33-29-7-8-30-33/h5-8,10-11,13,18H,3-4,9,12H2,1-2H3,(H,27,28)/t13-,18-/s2
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US Patent
n/an/a 1n/an/an/an/an/an/a



EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...


US Patent US9896452 (2018)

More data for this
Ligand-Target Pair