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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM50260995'   
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/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM50260995
PNG
(CHEMBL4089194)
Show SMILES CCN([C@H](C)Cn1ccc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C23H24FN7O/c1-4-30(23(32)19-13-16(2)5-8-22(19)31-26-10-11-27-31)17(3)15-29-12-9-21(28-29)20-7-6-18(24)14-25-20/h5-14,17H,4,15H2,1-3H3/t17-/m1/s1
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n/an/a 87n/an/an/an/an/an/a



Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated...

Bioorg Med Chem 25: 5203-5215 (2017)


Article DOI: 10.1016/j.bmc.2017.07.051
BindingDB Entry DOI: 10.7270/Q2D50QD4
More data for this
Ligand-Target Pair