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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 = 'BDBM50436393'   
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))
BDBM50436393
PNG
(CHEMBL2396863)
Show SMILES CCc1nc(Cl)c2[C@H](COc3cccc(c3)C(F)(F)F)N(CCn12)[C@@H](C(=O)NC)c1ccccc1 |r|
Show InChI InChI=1S/C25H26ClF3N4O2/c1-3-20-31-23(26)22-19(15-35-18-11-7-10-17(14-18)25(27,28)29)32(12-13-33(20)22)21(24(34)30-2)16-8-5-4-6-9-16/h4-11,14,19,21H,3,12-13,15H2,1-2H3,(H,30,34)/t19-,21+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 3857-63 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.071
BindingDB Entry DOI: 10.7270/Q2H70H71
More data for this
Ligand-Target Pair