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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 = 'BDBM50299391'   
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))
BDBM50299391
PNG
(4-((3-aminophenyl)(1-benzylpiperidin-4-yl)amino)-N...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(N)c1
Show InChI InChI=1S/C29H36N4O/c1-3-32(4-2)29(34)24-13-15-26(16-14-24)33(28-12-8-11-25(30)21-28)27-17-19-31(20-18-27)22-23-9-6-5-7-10-23/h5-16,21,27H,3-4,17-20,22,30H2,1-2H3
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PC cid
PC sid
UniChem
Article
PubMed
2n/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))
BDBM50299391
PNG
(4-((3-aminophenyl)(1-benzylpiperidin-4-yl)amino)-N...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)c1cccc(N)c1
Show InChI InChI=1S/C29H36N4O/c1-3-32(4-2)29(34)24-13-15-26(16-14-24)33(28-12-8-11-25(30)21-28)27-17-19-31(20-18-27)22-23-9-6-5-7-10-23/h5-16,21,27H,3-4,17-20,22,30H2,1-2H3
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 19n/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