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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 = 'BDBM184074'   
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))
BDBM184074
PNG
(US9150566, 112)
Show SMILES C[C@@H]1CN([C@H](Cc2cccc(c2)-c2ncccn2)CO1)C(=O)c1ccc(C)c(C)c1-n1nccn1
Show InChI InChI=1S/C27H28N6O2/c1-18-8-9-24(25(20(18)3)33-30-12-13-31-33)27(34)32-16-19(2)35-17-23(32)15-21-6-4-7-22(14-21)26-28-10-5-11-29-26/h4-14,19,23H,15-17H2,1-3H3/t19-,23-/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