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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 = 'BDBM50306287'   
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))
BDBM50306287
PNG
(3-(4-(4-(3-hydroxypentan-3-yl)phenyl)-1-(2-methylp...)
Show SMILES CCCC(C)CN1CCC(CC1)(c1ccc(cc1)C(O)(CC)CC)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C29H42N2O2/c1-5-9-22(4)21-31-18-16-28(17-19-31,26-11-8-10-23(20-26)27(30)32)24-12-14-25(15-13-24)29(33,6-2)7-3/h8,10-15,20,22,33H,5-7,9,16-19,21H2,1-4H3,(H2,30,32)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/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))
BDBM50306287
PNG
(3-(4-(4-(3-hydroxypentan-3-yl)phenyl)-1-(2-methylp...)
Show SMILES CCCC(C)CN1CCC(CC1)(c1ccc(cc1)C(O)(CC)CC)c1cccc(c1)C(N)=O
Show InChI InChI=1S/C29H42N2O2/c1-5-9-22(4)21-31-18-16-28(17-19-31,26-11-8-10-23(20-26)27(30)32)24-12-14-25(15-13-24)29(33,6-2)7-3/h8,10-15,20,22,33H,5-7,9,16-19,21H2,1-4H3,(H2,30,32)
PDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.70n/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