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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 = 'BDBM50092714'   
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))
BDBM50092714
PNG
(CHEMBL126141 | N,N-Diethyl-4-{[1-(3-methyl-but-2-e...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C28H36N2O/c1-5-30(6-2)28(31)26-14-12-24(13-15-26)27(23-10-8-7-9-11-23)25-17-20-29(21-18-25)19-16-22(3)4/h7-16H,5-6,17-21H2,1-4H3
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PC cid
PC sid
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PubMed
n/an/a 2.10n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity on cloned opioid receptor delta 1 in human HEK293S cells using [125I]-[D-Ala2]-deltorphin II as radioligand.


J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50092714
PNG
(CHEMBL126141 | N,N-Diethyl-4-{[1-(3-methyl-but-2-e...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]-1)\c1ccccc1
Show InChI InChI=1S/C28H36N2O/c1-5-30(6-2)28(31)26-14-12-24(13-15-26)27(23-10-8-7-9-11-23)25-17-20-29(21-18-25)19-16-22(3)4/h7-16H,5-6,17-21H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/an/an/a 14n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Effective concentration as delta agonist potency using [35S]GTP-gamma-S binding assay.


J Med Chem 43: 3895-905 (2000)


BindingDB Entry DOI: 10.7270/Q2KW5F95
More data for this
Ligand-Target Pair