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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 = 'BDBM50174946'   
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


(Homo sapiens (Human))
BDBM50174946
PNG
(CHEMBL197293 | methyl 2-(((S)-2-((S)-3-hydroxypyrr...)
Show SMILES COC(=O)Nc1ccc2OC(CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
Show InChI InChI=1S/C25H31N3O5/c1-27(21(17-6-4-3-5-7-17)16-28-13-12-20(29)15-28)24(30)23-10-8-18-14-19(26-25(31)32-2)9-11-22(18)33-23/h3-7,9,11,14,20-21,23,29H,8,10,12-13,15-16H2,1-2H3,(H,26,31)/t20-,21+,23?/m0/s1
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Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonistic activity at delta opioid receptor


Bioorg Med Chem Lett 15: 5114-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.094
BindingDB Entry DOI: 10.7270/Q23F4P6H
More data for this
Ligand-Target Pair