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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50355803'   
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 2


(Homo sapiens (Human))
BDBM50355803
PNG
(CHEMBL1911748)
Show SMILES C[C@@H]1COc2ccc(cc2[C@H](C)N1C(=O)c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C19H17ClF3NO2/c1-11-10-26-17-8-5-14(19(21,22)23)9-16(17)12(2)24(11)18(25)13-3-6-15(20)7-4-13/h3-9,11-12H,10H2,1-2H3/t11-,12+/m1/s1
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Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Takeda Pharmaceutical Company

Curated by ChEMBL


Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed intracellular calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 6414-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.093
BindingDB Entry DOI: 10.7270/Q2BZ66DH
More data for this
Ligand-Target Pair