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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 = 'BDBM50230165'   
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))		BDBM50230165
PNG
(CHEMBL4062575)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1cccc(c1)C#N)ccc3OC |r,THB:29:9:5.4.6:13|
Show InChI InChI=1S/C32H31N3O7S/c1-34(27(36)9-6-20-11-15-41-19-20)24-10-12-32(37)26-17-22-7-8-25(40-2)29-28(22)31(32,30(24)42-29)13-14-35(26)43(38,39)23-5-3-4-21(16-23)18-33/h3-9,11,15-16,19,24,26,30,37H,10,12-14,17H2,1-2H3/b9-6+/t24-,26-,30+,31+,32-/m1/s1
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Similars
Article
PubMed
 7.30n/an/an/an/an/an/an/an/a



University of Tsukuba

Curated by ChEMBL


Assay Description
Antagonist activity at human OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular calcium level preincubated for 15...

J Med Chem 60: 1018-1040 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01418
BindingDB Entry DOI: 10.7270/Q22N54JH
More data for this
Ligand-Target Pair