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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 = 'BDBM50355795'   
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))
BDBM50355795
PNG
(CHEMBL1911642)
Show SMILES C[C@@H]1COc2ccc(C)cc2[C@H](C)N1C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C19H20ClNO2/c1-12-4-9-18-17(10-12)14(3)21(13(2)11-23-18)19(22)15-5-7-16(20)8-6-15/h4-10,13-14H,11H2,1-3H3/t13-,14+/m1/s1
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Article
PubMed
n/an/a 150n/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