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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 = 'BDBM50493818'   
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))
BDBM50493818
PNG
(Oliceridine | TRV-130 | US11124523, Comparative Co...)
Show SMILES COc1ccsc1CNCC[C@]1(CCOC2(CCCC2)C1)c1ccccn1 |r|
Show InChI InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1
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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at human delta opioid receptor expressed in HEK293 assessed as increase in calcium mobilization incubated for 60 mins by FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113986
BindingDB Entry DOI: 10.7270/Q2TX3K84
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50493818
PNG
(Oliceridine | TRV-130 | US11124523, Comparative Co...)
Show SMILES COc1ccsc1CNCC[C@]1(CCOC2(CCCC2)C1)c1ccccn1 |r|
Show InChI InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/an/a 2.80E+3n/an/an/an/a



Trevena, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation by fluores...


J Med Chem 56: 8019-31 (2013)


Article DOI: 10.1021/jm4010829
BindingDB Entry DOI: 10.7270/Q2FT8Q0N
More data for this
Ligand-Target Pair