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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 = 'BDBM50028063'   
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


(MOUSE)
BDBM50028063
PNG
(CHEMBL3338874)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccccc1O)[C@](C)(O2)c1ccccc1O |r|
Show InChI InChI=1S/C20H21NO5/c1-19(12-7-3-5-9-14(12)22)17-21-16(11-24-17)25-20(2,18(21)26-19)13-8-4-6-10-15(13)23/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19-,20+/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
89n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from mouse whole brain DOR


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
BindingDB Entry DOI: 10.7270/Q2C53NFK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50028063
PNG
(CHEMBL3338874)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@@]3(C)c1ccccc1O)[C@](C)(O2)c1ccccc1O |r|
Show InChI InChI=1S/C20H21NO5/c1-19(12-7-3-5-9-14(12)22)17-21-16(11-24-17)25-20(2,18(21)26-19)13-8-4-6-10-15(13)23/h3-10,16-18,22-23H,11H2,1-2H3/t16-,17-,18-,19-,20+/m0/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 53n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human DOR expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 24: 4895-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.012
BindingDB Entry DOI: 10.7270/Q2C53NFK
More data for this
Ligand-Target Pair