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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 = 'BDBM50306289'   
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))
BDBM50306289
PNG
(4-(1-butyl-3-(3-hydroxyphenyl)piperidin-3-yl)-N,N-...)
Show SMILES CCCCN1CCCC(C1)(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(O)c1
Show InChI InChI=1S/C26H36N2O2/c1-4-7-17-27-18-9-16-26(20-27,23-10-8-11-24(29)19-23)22-14-12-21(13-15-22)25(30)28(5-2)6-3/h8,10-15,19,29H,4-7,9,16-18,20H2,1-3H3
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PC cid
PC sid
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Similars

Article
PubMed
6.20n/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))
BDBM50306289
PNG
(4-(1-butyl-3-(3-hydroxyphenyl)piperidin-3-yl)-N,N-...)
Show SMILES CCCCN1CCCC(C1)(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(O)c1
Show InChI InChI=1S/C26H36N2O2/c1-4-7-17-27-18-9-16-26(20-27,23-10-8-11-24(29)19-23)22-14-12-21(13-15-22)25(30)28(5-2)6-3/h8,10-15,19,29H,4-7,9,16-18,20H2,1-3H3
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 55n/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