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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 = 'BDBM50142704'   
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))
BDBM50142704
PNG
(CHEMBL3758563)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)N1CCc2ccccc2C1 |r|
Show InChI InChI=1/C32H36N4O4/c1-20-13-26(37)14-21(2)27(20)16-28(33)32(40)36-19-25-10-6-4-8-23(25)15-29(36)31(39)34-17-30(38)35-12-11-22-7-3-5-9-24(22)18-35/h3-10,13-14,28-29,37H,11-12,15-19,33H2,1-2H3,(H,34,39)/t28-,29+/s2
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CHEMBL
PC cid
PC sid
UniChem
PubMed
0.75n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cell membrane


Eur J Med Chem 108: 211-28 (2016)


BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50142704
PNG
(CHEMBL3758563)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)N1CCc2ccccc2C1 |r|
Show InChI InChI=1/C32H36N4O4/c1-20-13-26(37)14-21(2)27(20)16-28(33)32(40)36-19-25-10-6-4-8-23(25)15-29(36)31(39)34-17-30(38)35-12-11-22-7-3-5-9-24(22)18-35/h3-10,13-14,28-29,37H,11-12,15-19,33H2,1-2H3,(H,34,39)/t28-,29+/s2
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.30n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO cell membrane assessed as inhibition of DAMGO-induced [35S]-GTP-gammaS binding


Eur J Med Chem 108: 211-28 (2016)


BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair