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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 = 'BDBM50543835'   
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))		BDBM50543835
PNG
(CHEMBL4646165)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCO[C@H]1Cn1ncn(-c2ccc(F)cn2)c1=O)-n1nccn1 |r|
Show InChI InChI=1S/C22H21FN8O3/c1-15-3-5-18(31-25-7-8-26-31)17(11-15)21(32)28-9-2-10-34-20(28)13-30-22(33)29(14-27-30)19-6-4-16(23)12-24-19/h3-8,11-12,14,20H,2,9-10,13H2,1H3/t20-/m0/s1
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PC cid
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Article
PubMed
n/an/a 5.40n/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