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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 = 'BDBM50015001'   
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))
BDBM50015001
PNG
(CHEMBL3262092)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@H](O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H35NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-10,18,21,23,25,27,32-33H,7-8,11-17H2,1H3/t21-,23-,25+,27-,28-,29+,30-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from human delta opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analys...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
BindingDB Entry DOI: 10.7270/Q2NG4S62
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50015001
PNG
(CHEMBL3262092)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@@H](O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H35NO4/c1-34-30-12-11-28(16-21(30)25(33)19-5-3-2-4-6-19)23-15-20-9-10-22(32)26-24(20)29(28,27(30)35-26)13-14-31(23)17-18-7-8-18/h2-6,9-10,18,21,23,25,27,32-33H,7-8,11-17H2,1H3/t21-,23-,25+,27-,28-,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 0.640n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by beta-plat...


J Med Chem 57: 4049-57 (2014)


Article DOI: 10.1021/jm401964y
BindingDB Entry DOI: 10.7270/Q2NG4S62
More data for this
Ligand-Target Pair