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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 1' and Ligand = 'BDBM50029042'   
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 receptor type 1


(Homo sapiens (Human))
BDBM50029042
PNG
(CHEMBL3343240)
Show SMILES COc1ccc(OC[C@]2(C[C@H]2C(=O)Cc2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1/C26H26O4/c1-28-24-14-13-21(16-25(24)29-2)30-18-26(20-11-7-4-8-12-20)17-22(26)23(27)15-19-9-5-3-6-10-19/h3-14,16,22H,15,17-18H2,1-2H3/t22-,26+/s2
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PC cid
PC sid
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Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Eisai Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis


Bioorg Med Chem 22: 6071-88 (2014)


Article DOI: 10.1016/j.bmc.2014.08.034
BindingDB Entry DOI: 10.7270/Q20R9R0Q
More data for this
Ligand-Target Pair