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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 = 'BDBM50543820'   
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))		BDBM50543820
PNG
(CHEMBL4633205)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCC[C@@H]1Cn1ccc(n1)-c1ccc(F)cn1)-n1nccn1 |r|
Show InChI InChI=1S/C24H24FN7O/c1-17-5-8-23(32-27-10-11-28-32)20(14-17)24(33)31-12-3-2-4-19(31)16-30-13-9-22(29-30)21-7-6-18(25)15-26-21/h5-11,13-15,19H,2-4,12,16H2,1H3/t19-/m1/s1
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n/an/a 52n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115489
BindingDB Entry DOI: 10.7270/Q2KH0RWT
More data for this
Ligand-Target Pair