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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50093800'   
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 2


(Homo sapiens (Human))
BDBM50093800
PNG
(CHEMBL3585950)
Show SMILES Cc1ccnc(NC(=O)[C@@H]2C[C@@]2(COc2cnc(C)nc2C)c2ccccc2)c1
Show InChI InChI=1/C23H24N4O2/c1-15-9-10-24-21(11-15)27-22(28)19-12-23(19,18-7-5-4-6-8-18)14-29-20-13-25-17(3)26-16(20)2/h4-11,13,19H,12,14H2,1-3H3,(H,24,27,28)/t19-,23+/s2
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PC cid
PC sid
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Article
PubMed
29n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human OX2R 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