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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 = 'BDBM50230029'   
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))		BDBM50230029
PNG
(CHEMBL4071362)
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)C(=O)OC(C)(C)C)ccc3OC |r,THB:29:9:5.4.6:13|
Show InChI InChI=1S/C30H36N2O7/c1-28(2,3)39-27(34)32-14-13-29-24-19-7-8-21(36-5)25(24)38-26(29)20(10-12-30(29,35)22(32)16-19)31(4)23(33)9-6-18-11-15-37-17-18/h6-9,11,15,17,20,22,26,35H,10,12-14,16H2,1-5H3/b9-6+/t20-,22-,26+,29+,30-/m1/s1
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Similars
Article
PubMed
 4.20n/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