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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 = 'BDBM154972'   
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))
BDBM154972
PNG
(US9000029, 51)
Show SMILES Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)c1
Show InChI InChI=1S/C20H20ClF3N2O3S/c1-12-8-13(2)10-15(9-12)25-19(27)17-4-3-7-26(17)30(28,29)18-6-5-14(11-16(18)21)20(22,23)24/h5-6,8-11,17H,3-4,7H2,1-2H3,(H,25,27)/t17-/m0/s1
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Similars

US Patent
n/an/a 14n/an/an/an/an/a37



Actelion 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 US9000029 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B3F
More data for this
Ligand-Target Pair