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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 = 'BDBM50120147'   
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))
BDBM50120147
PNG
(C-[(S)-C-((S)-1-Benzhydryl-azetidin-2-yl)-C-(3-tri...)
Show SMILES N[C@H]([C@@H]1CCN1C(c1ccccc1)c1ccccc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2/c25-24(26,27)20-13-7-12-19(16-20)22(28)21-14-15-29(21)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21-23H,14-15,28H2/t21-,22-/m0/s1
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PC cid
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Similars

PubMed
6.08E+3n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human opioid receptor delta 1 was determined by using [3H]diprenorphine radioligand in CHO cell membranes at a concentration of 0...


Bioorg Med Chem Lett 12: 3157-60 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9C9R
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50120147
PNG
(C-[(S)-C-((S)-1-Benzhydryl-azetidin-2-yl)-C-(3-tri...)
Show SMILES N[C@H]([C@@H]1CCN1C(c1ccccc1)c1ccccc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2/c25-24(26,27)20-13-7-12-19(16-20)22(28)21-14-15-29(21)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21-23H,14-15,28H2/t21-,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
6.09E+3n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human opioid receptor delta 1 was determined by using [3H]diprenorphine radioligand in CHO cell membranes at a concentration of 0...


Bioorg Med Chem Lett 12: 3157-60 (2002)


BindingDB Entry DOI: 10.7270/Q2KK9C9R
More data for this
Ligand-Target Pair