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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50230037   
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))		BDBM50230037
PNG
(CHEMBL4103513)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)ccc3OC |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C29H34N2O5/c1-30(24(32)8-5-19-10-14-35-17-19)21-9-11-29(33)23-15-20-6-7-22(34-2)26-25(20)28(29,27(21)36-26)12-13-31(23)16-18-3-4-18/h5-8,10,14,17-18,21,23,27,33H,3-4,9,11-13,15-16H2,1-2H3/b8-5+/t21-,23-,27+,28+,29-/m1/s1
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Similars
Article
PubMed
 23n/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