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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 = 'BDBM50175740'   
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))
BDBM50175740
PNG
(4-(1-benzyl-1H-imidazol-2-yl)-N-(3-methoxyphenyl)-...)
Show SMILES COc1cccc(NC(=O)N2CCC(CC2)(c2nccn2Cc2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C29H30N4O2/c1-35-26-14-8-13-25(21-26)31-28(34)32-18-15-29(16-19-32,24-11-6-3-7-12-24)27-30-17-20-33(27)22-23-9-4-2-5-10-23/h2-14,17,20-21H,15-16,18-19,22H2,1H3,(H,31,34)
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PC cid
PC sid
UniChem
Article
PubMed
46n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 146-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.025
BindingDB Entry DOI: 10.7270/Q2ZK5G70
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50175740
PNG
(4-(1-benzyl-1H-imidazol-2-yl)-N-(3-methoxyphenyl)-...)
Show SMILES COc1cccc(NC(=O)N2CCC(CC2)(c2nccn2Cc2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C29H30N4O2/c1-35-26-14-8-13-25(21-26)31-28(34)32-18-15-29(16-19-32,24-11-6-3-7-12-24)27-30-17-20-33(27)22-23-9-4-2-5-10-23/h2-14,17,20-21H,15-16,18-19,22H2,1H3,(H,31,34)
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antibodypedia
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AffyNet 
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 436n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist potency assessed by [35S]GTP-gammaS binding assay in C6 Glioma cells expressing cloned human delta opioid receptor


Bioorg Med Chem Lett 16: 146-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.025
BindingDB Entry DOI: 10.7270/Q2ZK5G70
More data for this
Ligand-Target Pair