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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 = 'BDBM50212298'   
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))
BDBM50212298
PNG
((1S,13R,14R)-24-(cyclobutylmethyl)-19-methoxy-4,24...)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.22.6:8|
Show InChI InChI=1S/C28H32N2O/c1-31-20-10-9-19-13-27-24-15-22-21-7-2-3-8-25(21)29-26(22)16-28(24,23(19)14-20)11-12-30(27)17-18-5-4-6-18/h2-3,7-10,14,18,24,27,29H,4-6,11-13,15-17H2,1H3/t24-,27+,28+/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
8.70n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
BindingDB Entry DOI: 10.7270/Q29Z94M6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212298
PNG
((1S,13R,14R)-24-(cyclobutylmethyl)-19-methoxy-4,24...)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.22.6:8|
Show InChI InChI=1S/C28H32N2O/c1-31-20-10-9-19-13-27-24-15-22-21-7-2-3-8-25(21)29-26(22)16-28(24,23(19)14-20)11-12-30(27)17-18-5-4-6-18/h2-3,7-10,14,18,24,27,29H,4-6,11-13,15-17H2,1H3/t24-,27+,28+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 23n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO membrane assessed as stimulation of [35S]GTP-gamma-S binding


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
BindingDB Entry DOI: 10.7270/Q29Z94M6
More data for this
Ligand-Target Pair