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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Opioid receptors; mu & delta' and Ligand = 'BDBM50121640'   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50121640
PNG
(2-[2-Dimethylamino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1CC(C(O)=O)c2ccccc2C1
Show InChI InChI=1S/C23H28N2O4/c1-14-9-17(26)10-15(2)19(14)11-21(24(3)4)22(27)25-12-16-7-5-6-8-18(16)20(13-25)23(28)29/h5-10,20-21,26H,11-13H2,1-4H3,(H,28,29)/t20?,21-/m0/s1
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Similars

Article
PubMed
0.120n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Binding affinity of compound towards the Opioid receptor delta 1 in rat synaptosomal membrane was determined using [3H]-DPDPE as radioligand


J Med Chem 45: 5506-13 (2002)


Article DOI: 10.1021/jm020330p
BindingDB Entry DOI: 10.7270/Q2DN44DF
More data for this
Ligand-Target Pair