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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 = 'BDBM50438811'   
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))
BDBM50438811
PNG
(CHEMBL2413510)
Show SMILES C[C@@H]1CO[C@@H](COc2nccc3ccccc23)CN1C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C25H25N5O3/c1-17-7-8-23(30-27-11-12-28-30)22(13-17)25(31)29-14-20(32-15-18(29)2)16-33-24-21-6-4-3-5-19(21)9-10-26-24/h3-13,18,20H,14-16H2,1-2H3/t18-,20-/m1/s1
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Similars

Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin receptor 1 expressed in CHO cells assessed as inhibition of orexin-A-induced calcium flux by FLIPR assay


Bioorg Med Chem Lett 23: 4761-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.057
BindingDB Entry DOI: 10.7270/Q25140NJ
More data for this
Ligand-Target Pair