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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM184137'   
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/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM184137
PNG
(US9150566, 175)
Show SMILES Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-c2ncon2)c(c1)-n1nccn1
Show InChI InChI=1S/C23H21FN6O3/c1-15-2-4-19(21(10-15)30-26-6-7-27-30)23(31)29-8-9-32-13-18(29)12-17-11-16(3-5-20(17)24)22-25-14-33-28-22/h2-7,10-11,14,18H,8-9,12-13H2,1H3/t18-/m1/s1
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Similars

US Patent
n/an/a 3n/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 US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair