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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 1' and Ligand = 'BDBM50133883'   
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 1


(Homo sapiens (Human))
BDBM50133883
PNG
(CHEMBL3634012)
Show SMILES CC(NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1cccnc1
Show InChI InChI=1/C23H20F3N5O2/c1-14(16-9-6-10-27-12-16)28-18(32)13-33-19-11-17(23(24,25)26)20-21(15-7-4-3-5-8-15)30-31(2)22(20)29-19/h3-12,14H,13H2,1-2H3,(H,28,32)
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970n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay


Bioorg Med Chem Lett 25: 5555-60 (2015)


BindingDB Entry DOI: 10.7270/Q2WH2RVX
More data for this
Ligand-Target Pair