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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 = 'BDBM50366356'   
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


(Rattus norvegicus (rat))
BDBM50366356
PNG
(ASIMADOLINE HYDROCHLORIDE | EMD-61753)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H30N2O2/c1-28(25(21-11-5-2-6-12-21)20-29-18-17-24(30)19-29)27(31)26(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-26,30H,17-20H2,1H3/t24-,25+/m0/s1
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MCE
PC cid
PC sid
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Article
>100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity to delta opioid receptor determined in the presence of [3H]- [D-Pen2,5]enkephalin using membranes prepared from rat cerebrum


Bioorg Med Chem Lett 4: 677-682 (1994)


Article DOI: 10.1016/S0960-894X(01)80179-7
BindingDB Entry DOI: 10.7270/Q28C9WRX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50366356
PNG
(ASIMADOLINE HYDROCHLORIDE | EMD-61753)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H30N2O2/c1-28(25(21-11-5-2-6-12-21)20-29-18-17-24(30)19-29)27(31)26(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-26,30H,17-20H2,1H3/t24-,25+/m0/s1
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antibodypedia
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DrugBank
MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 8.00E+3n/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in COS7 cells after 60 mins IP1 assay


Bioorg Med Chem Lett 25: 887-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.064
BindingDB Entry DOI: 10.7270/Q2542Q8K
More data for this
Ligand-Target Pair