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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 = 'BDBM50299389'   
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))
BDBM50299389
PNG
(4-((1-benzylpiperidin-4-yl)(3-(methylsulfonamido)p...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C30H38N4O3S/c1-4-33(5-2)30(35)25-14-16-27(17-15-25)34(29-13-9-12-26(22-29)31-38(3,36)37)28-18-20-32(21-19-28)23-24-10-7-6-8-11-24/h6-17,22,28,31H,4-5,18-21,23H2,1-3H3
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PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor


Bioorg Med Chem Lett 19: 5999-6003 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.068
BindingDB Entry DOI: 10.7270/Q2XP7512
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50299389
PNG
(4-((1-benzylpiperidin-4-yl)(3-(methylsulfonamido)p...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C30H38N4O3S/c1-4-33(5-2)30(35)25-14-16-27(17-15-25)34(29-13-9-12-26(22-29)31-38(3,36)37)28-18-20-32(21-19-28)23-24-10-7-6-8-11-24/h6-17,22,28,31H,4-5,18-21,23H2,1-3H3
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.5n/an/an/an/a



AstraZeneca R&D Montr£al

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor by GTP[gamma]35S binding assay


Bioorg Med Chem Lett 19: 5999-6003 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.068
BindingDB Entry DOI: 10.7270/Q2XP7512
More data for this
Ligand-Target Pair