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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50135802'   
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))
BDBM50135802
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-(4-{[(1R,9R,10...)
Show SMILES C(CCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C46H64N2O2/c1-3-19-45-21-23-47(31-33-9-7-10-33)43(39(45)13-1)27-35-15-17-37(29-41(35)45)49-25-5-6-26-50-38-18-16-36-28-44-40-14-2-4-20-46(40,42(36)30-38)22-24-48(44)32-34-11-8-12-34/h15-18,29-30,33-34,39-40,43-44H,1-14,19-28,31-32H2/t39-,40-,43+,44+,45+,46+/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
730n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membranes after 3 hrs by scintillation counting


Bioorg Med Chem Lett 20: 1507-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.101
BindingDB Entry DOI: 10.7270/Q2251JBF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50135802
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-4-(4-{[(1R,9R,10...)
Show SMILES C(CCOc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)COc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C46H64N2O2/c1-3-19-45-21-23-47(31-33-9-7-10-33)43(39(45)13-1)27-35-15-17-37(29-41(35)45)49-25-5-6-26-50-38-18-16-36-28-44-40-14-2-4-20-46(40,42(36)30-38)22-24-48(44)32-34-11-8-12-34/h15-18,29-30,33-34,39-40,43-44H,1-14,19-28,31-32H2/t39-,40-,43+,44+,45+,46+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
730n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor delta 1 in chinese Hamster Ovary (CHO) cell membranes was determined using [3H]naltrindole radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair