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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 = 'BDBM50395068'   
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))
BDBM50395068
PNG
(CHEMBL2163921)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C35H38N6O5/c1-21(32(37)43)31(23-8-3-2-4-9-23)40-33(44)29(19-24-20-38-28-11-6-5-10-26(24)28)39-34(45)30-12-7-17-41(30)35(46)27(36)18-22-13-15-25(42)16-14-22/h2-6,8-11,13-16,20,27,29-31,38,42H,1,7,12,17-19,36H2,(H2,37,43)(H,39,45)(H,40,44)/t27-,29-,30-,31+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
5.60E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from Myc-tagged delta opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter


J Med Chem 55: 6224-36 (2012)


Article DOI: 10.1021/jm300664y
BindingDB Entry DOI: 10.7270/Q2T154S8
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50395068
PNG
(CHEMBL2163921)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C35H38N6O5/c1-21(32(37)43)31(23-8-3-2-4-9-23)40-33(44)29(19-24-20-38-28-11-6-5-10-26(24)28)39-34(45)30-12-7-17-41(30)35(46)27(36)18-22-13-15-25(42)16-14-22/h2-6,8-11,13-16,20,27,29-31,38,42H,1,7,12,17-19,36H2,(H2,37,43)(H,39,45)(H,40,44)/t27-,29-,30-,31+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in Kunming mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction


J Med Chem 55: 6224-36 (2012)


Article DOI: 10.1021/jm300664y
BindingDB Entry DOI: 10.7270/Q2T154S8
More data for this
Ligand-Target Pair