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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 = 'BDBM50097383'   
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))
BDBM50097383
PNG
(CHEMBL3586428)
Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1nccc(OC)n1)C(=O)c1c(C)ccc2ccccc12 |r|
Show InChI InChI=1S/C23H24N4O2/c1-15-7-8-16-5-3-4-6-19(16)21(15)22(28)26-11-17-13-27(14-18(17)12-26)23-24-10-9-20(25-23)29-2/h3-10,17-18H,11-14H2,1-2H3/t17-,18+
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PC cid
PC sid
UniChem
Article
PubMed
141n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human OX2 receptor


J Med Chem 58: 5620-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00742
BindingDB Entry DOI: 10.7270/Q2QR4ZWG
More data for this
Ligand-Target Pair