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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 = 'BDBM50048099'   
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))
BDBM50048099
PNG
(CHEMBL3357966)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)Cc1c(CC(=O)OCC)c(O)n(Cc4ccccc4)c21)ccc3O |r,THB:10:9:14:5.6.4|
Show InChI InChI=1S/C30H32N2O6/c1-3-37-23(34)14-19-20-15-30(36)22-13-18-9-10-21(33)26-24(18)29(30,11-12-31(22)2)27(38-26)25(20)32(28(19)35)16-17-7-5-4-6-8-17/h4-10,22,27,33,35-36H,3,11-16H2,1-2H3/t22-,27+,29+,30-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
82n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by scintillation counting met...


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
BindingDB Entry DOI: 10.7270/Q2JM2C8P
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50048099
PNG
(CHEMBL3357966)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)Cc1c(CC(=O)OCC)c(O)n(Cc4ccccc4)c21)ccc3O |r,THB:10:9:14:5.6.4|
Show InChI InChI=1S/C30H32N2O6/c1-3-37-23(34)14-19-20-15-30(36)22-13-18-9-10-21(33)26-24(18)29(30,11-12-31(22)2)27(38-26)25(20)32(28(19)35)16-17-7-5-4-6-8-17/h4-10,22,27,33,35-36H,3,11-16H2,1-2H3/t22-,27+,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 43n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant delta opioid receptor expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay


Bioorg Med Chem 22: 4067-72 (2014)


Article DOI: 10.1016/j.bmc.2014.05.065
BindingDB Entry DOI: 10.7270/Q2JM2C8P
More data for this
Ligand-Target Pair