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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50212291'   
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))
BDBM50212291
PNG
((1S,13R,14R)-24-(cyclobutylmethyl)-4,24-diazahexac...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C27H30N2O/c30-19-9-8-18-12-26-23-14-21-20-6-1-2-7-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-4-3-5-17/h1-2,6-9,13,17,23,26,28,30H,3-5,10-12,14-16H2/t23-,26+,27+/m0/s1
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PC cid
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Article
PubMed
0.170n/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))
BDBM50212291
PNG
((1S,13R,14R)-24-(cyclobutylmethyl)-4,24-diazahexac...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C27H30N2O/c30-19-9-8-18-12-26-23-14-21-20-6-1-2-7-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-4-3-5-17/h1-2,6-9,13,17,23,26,28,30H,3-5,10-12,14-16H2/t23-,26+,27+/m0/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO membrane assessed as inhibition of SNC80-induced [35S]GTPgammaS 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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212291
PNG
((1S,13R,14R)-24-(cyclobutylmethyl)-4,24-diazahexac...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C27H30N2O/c30-19-9-8-18-12-26-23-14-21-20-6-1-2-7-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-4-3-5-17/h1-2,6-9,13,17,23,26,28,30H,3-5,10-12,14-16H2/t23-,26+,27+/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 0.800n/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