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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor 1' and Ligand = 'BDBM202944'   
Target
(Institution)
LigandTarget
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 1


(Homo sapiens (Human))
BDBM202944
PNG
(US9242970, 91)
Show SMILES COc1cccc(OC)c1C1CCCCC(=O)N1Cc1cccc(c1)-c1csc(C)n1
Show InChI InChI=1/C25H28N2O3S/c1-17-26-20(16-31-17)19-9-6-8-18(14-19)15-27-21(10-4-5-13-24(27)28)25-22(29-2)11-7-12-23(25)30-3/h6-9,11-12,14,16,21H,4-5,10,13,15H2,1-3H3
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US Patent
n/an/a 1n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...


US Patent US9242970 (2016)

More data for this
Ligand-Target Pair