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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 = 'BDBM50048101'   
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))
BDBM50048101
PNG
(CHEMBL3309507)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)CC1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C27H28N2O4/c1-28-12-11-26-22-17-7-9-19(30)24(22)33-25(26)23-18(14-27(26,32)20(28)13-17)8-10-21(31)29(23)15-16-5-3-2-4-6-16/h2-7,9,20,25,30,32H,8,10-15H2,1H3/t20-,25+,26+,27-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
0.920n/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))
BDBM50048101
PNG
(CHEMBL3309507)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CC1=C2N(Cc2ccccc2)C(=O)CC1)ccc3O |r,c:20,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C27H28N2O4/c1-28-12-11-26-22-17-7-9-19(30)24(22)33-25(26)23-18(14-27(26,32)20(28)13-17)8-10-21(31)29(23)15-16-5-3-2-4-6-16/h2-7,9,20,25,30,32H,8,10-15H2,1H3/t20-,25+,26+,27-/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 3n/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