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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 = 'BDBM50122037'   
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))
BDBM50122037
PNG
(CHEMBL3614082)
Show SMILES CCC(=O)N(CC1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C26H35N3O/c1-2-26(30)29(23-8-4-3-5-9-23)19-20-13-15-28(16-14-20)18-21-11-12-24-22(17-21)7-6-10-25(24)27/h3-5,8-9,11-12,17,20,25H,2,6-7,10,13-16,18-19,27H2,1H3/t25-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
6.00E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from human delta opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122037
PNG
(CHEMBL3614082)
Show SMILES CCC(=O)N(CC1CCN(Cc2ccc3[C@H](N)CCCc3c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C26H35N3O/c1-2-26(30)29(23-8-4-3-5-9-23)19-20-13-15-28(16-14-20)18-21-11-12-24-22(17-21)7-6-10-25(24)27/h3-5,8-9,11-12,17,20,25H,2,6-7,10,13-16,18-19,27H2,1H3/t25-/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/a 0.275n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from human delta opioid receptor


Bioorg Med Chem Lett 25: 4683-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.064
BindingDB Entry DOI: 10.7270/Q2N29ZR2
More data for this
Ligand-Target Pair