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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 = 'BDBM50094006'   
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))
BDBM50094006
PNG
(CHEMBL3585942)
Show SMILES COCc1nc(C)ncc1OC[C@]1(C[C@H]1C(=O)Nc1ccc(cn1)C#N)c1ccccc1
Show InChI InChI=1/C24H23N5O3/c1-16-26-13-21(20(28-16)14-31-2)32-15-24(18-6-4-3-5-7-18)10-19(24)23(30)29-22-9-8-17(11-25)12-27-22/h3-9,12-13,19H,10,14-15H2,1-2H3,(H,27,29,30)/t19-,24+/s2
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Similars

Article
PubMed
43n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human OX1R by radioligand displacement binding assay


J Med Chem 58: 4648-64 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00217
BindingDB Entry DOI: 10.7270/Q2125VD7
More data for this
Ligand-Target Pair