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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 = 'BDBM50048104'   
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))
BDBM50048104
PNG
(CHEMBL3309264)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C29H32N2O5/c1-30-11-10-28-23-18-7-8-21(33)25(23)36-26(28)24-20(15-29(28,35)22(30)14-18)13-19(9-12-32)27(34)31(24)16-17-5-3-2-4-6-17/h2-8,19,22,26,32-33,35H,9-16H2,1H3/t19-,22-,26+,28+,29-/m1/s1
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Similars

Article
PubMed
1n/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))
BDBM50048104
PNG
(CHEMBL3309264)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)[C@H](CCO)C1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C29H32N2O5/c1-30-11-10-28-23-18-7-8-21(33)25(23)36-26(28)24-20(15-29(28,35)22(30)14-18)13-19(9-12-32)27(34)31(24)16-17-5-3-2-4-6-17/h2-8,19,22,26,32-33,35H,9-16H2,1H3/t19-,22-,26+,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 2.40n/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