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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 = 'BDBM50500607'   
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))
BDBM50500607
PNG
(CHEMBL3752260)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@H](N)CCCc2c1)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C26H33F2N3O/c1-2-26(32)31(20-10-12-23(27)24(28)15-20)17-21-7-3-4-13-30(21)16-18-9-11-22-19(14-18)6-5-8-25(22)29/h9-12,14-15,21,25H,2-8,13,16-17,29H2,1H3/t21?,25-/m1/s1
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B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
9.00E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor after 180 mins by scintillation counting analysis


Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50500607
PNG
(CHEMBL3752260)
Show SMILES CCC(=O)N(CC1CCCCN1Cc1ccc2[C@H](N)CCCc2c1)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C26H33F2N3O/c1-2-26(32)31(20-10-12-23(27)24(28)15-20)17-21-7-3-4-13-30(21)16-18-9-11-22-19(14-18)6-5-8-25(22)29/h9-12,14-15,21,25H,2-8,13,16-17,29H2,1H3/t21?,25-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.91E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor after 180 mins by scintillation counting analysis


Bioorg Med Chem Lett 26: 222-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.081
BindingDB Entry DOI: 10.7270/Q2W66PSM
More data for this
Ligand-Target Pair