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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 = 'BDBM50395057'   
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))
BDBM50395057
PNG
(CHEMBL2163919)
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)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C39H40N6O5/c1-23(36(41)47)35(27-15-14-25-7-2-3-8-26(25)20-27)44-37(48)33(21-28-22-42-32-10-5-4-9-30(28)32)43-38(49)34-11-6-18-45(34)39(50)31(40)19-24-12-16-29(46)17-13-24/h2-5,7-10,12-17,20,22,31,33-35,42,46H,1,6,11,18-19,21,40H2,(H2,41,47)(H,43,49)(H,44,48)/t31-,33-,34-,35+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
8.49E+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)
BDBM50395057
PNG
(CHEMBL2163919)
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)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C39H40N6O5/c1-23(36(41)47)35(27-15-14-25-7-2-3-8-26(25)20-27)44-37(48)33(21-28-22-42-32-10-5-4-9-30(28)32)43-38(49)34-11-6-18-45(34)39(50)31(40)19-24-12-16-29(46)17-13-24/h2-5,7-10,12-17,20,22,31,33-35,42,46H,1,6,11,18-19,21,40H2,(H2,41,47)(H,43,49)(H,44,48)/t31-,33-,34-,35+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 141n/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