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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 = 'BDBM50306292'   
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))
BDBM50306292
PNG
(CHEMBL605735 | N,N-diethyl-4-(3-(3-hydroxyphenyl)-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2nccs2)C1)c1cccc(O)c1
Show InChI InChI=1S/C26H31N3O2S/c1-3-29(4-2)25(31)20-9-11-21(12-10-20)26(22-7-5-8-23(30)17-22)13-6-15-28(19-26)18-24-27-14-16-32-24/h5,7-12,14,16-17,30H,3-4,6,13,15,18-19H2,1-2H3
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PC cid
PC sid
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Similars

Article
PubMed
3.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human delta opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
BindingDB Entry DOI: 10.7270/Q2C53KX1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50306292
PNG
(CHEMBL605735 | N,N-diethyl-4-(3-(3-hydroxyphenyl)-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2nccs2)C1)c1cccc(O)c1
Show InChI InChI=1S/C26H31N3O2S/c1-3-29(4-2)25(31)20-9-11-21(12-10-20)26(22-7-5-8-23(30)17-22)13-6-15-28(19-26)18-24-27-14-16-32-24/h5,7-12,14,16-17,30H,3-4,6,13,15,18-19H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at delta opioid receptor by GTPgammaS bunding assay


Bioorg Med Chem Lett 20: 503-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.113
BindingDB Entry DOI: 10.7270/Q2C53KX1
More data for this
Ligand-Target Pair