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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 = 'BDBM50451343'   
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))
BDBM50451343
PNG
(CHEMBL477154)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2n(C)c2ccccc12)ccc3O |THB:10:9:17:5.6.4|
Show InChI InChI=1S/C27H28N2O3/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,30-31H,6-7,10-14H2,1H3/t21-,25+,26+,27-/m1/s1
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PC cid
PC sid
UniChem
PubMed
0.180n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL




J Med Chem 34: 1715-20 (1991)


BindingDB Entry DOI: 10.7270/Q2T43TPG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50451343
PNG
(CHEMBL477154)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2n(C)c2ccccc12)ccc3O |THB:10:9:17:5.6.4|
Show InChI InChI=1S/C27H28N2O3/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,30-31H,6-7,10-14H2,1H3/t21-,25+,26+,27-/m1/s1
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DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.490n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to Opioid receptor delta 1 using [3H]DPDPE as a radioligand in guinea pig


Bioorg Med Chem Lett 11: 939-43 (2001)


BindingDB Entry DOI: 10.7270/Q21V5FG3
More data for this
Ligand-Target Pair