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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 = 'BDBM334612'   
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))		BDBM334612
PNG
(US11040966, Example 3.34 | US9732075, Example 3.34...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)c1nc(C)sc1-c1ccc(C)c(C)c1)c1nc2ccc(Cl)c(C)c2[nH]1
Show InChI InChI=1S/C26H27ClN4O2S/c1-13-6-7-17(10-14(13)2)24-23(28-16(4)34-24)26(32)31-12-18(33-5)11-21(31)25-29-20-9-8-19(27)15(3)22(20)30-25/h6-10,18,21H,11-12H2,1-5H3,(H,29,30)/t18-,21+/m1/s1
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US Patent
n/an/a 0.900n/an/an/an/an/an/a



IDORSIA 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 US9732075 (2017)


BindingDB Entry DOI: 10.7270/Q29P33S0
More data for this
Ligand-Target Pair