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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50509101'   
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
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50509101
PNG
(CHEMBL4460098)
Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc2c(N)nccc2c1
Show InChI InChI=1S/C23H21N3O4S/c1-15-7-10-19(26-31(27,28)22-6-4-3-5-20(22)29-2)21(13-15)30-17-8-9-18-16(14-17)11-12-25-23(18)24/h3-14,26H,1-2H3,(H2,24,25)
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MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
2.47E+6n/an/an/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from delta opioid receptor in rat brain after 60 mins by liquid scintillation counting method


J Med Chem 62: 8631-8641 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01003
BindingDB Entry DOI: 10.7270/Q2125WZT
More data for this
Ligand-Target Pair