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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 = 'BDBM183962'   
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))
BDBM183962
PNG
(US9150566, Ref. 2)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1 |r|
Show InChI InChI=1S/C23H23N7O/c1-17-7-8-22(30-26-11-12-27-30)21(14-17)23(31)28-13-3-6-19(28)15-18-4-2-5-20(16-18)29-24-9-10-25-29/h2,4-5,7-12,14,16,19H,3,6,13,15H2,1H3/t19-/m0/s1
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Similars

US Patent
n/an/a 0.5n/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