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SMILES: COc1cc(OC)nc(NCCCn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)n1

InChI Key: InChIKey=FIBQMPBFVPYRBU-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 221433   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Orexin receptor type 2


(Homo sapiens (Human))		BDBM221433
PNG
(US9303023, 130)
Show SMILES COc1cc(OC)nc(NCCCn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)n1
Show InChI InChI=1S/C23H25N7O4/c1-15-6-4-7-16(10-15)21-20(25-14-34-21)22(31)27-17-12-26-30(13-17)9-5-8-24-23-28-18(32-2)11-19(29-23)33-3/h4,6-7,10-14H,5,8-9H2,1-3H3,(H,27,31)(H,24,28,29)
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US Patent
n/an/a 57n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9303023 (2016)


BindingDB Entry DOI: 10.7270/Q2251H10
More data for this
Ligand-Target Pair