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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50006946'   
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))
BDBM50006946
PNG
(2-[2-(2-{2-[2-Diallylamino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
Show InChI InChI=1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1
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19n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor delta 1 expressed in CHO cells was determined by using [3H]DPDPE as radioligand


J Med Chem 47: 281-4 (2004)


Article DOI: 10.1021/jm030419a
BindingDB Entry DOI: 10.7270/Q20K2990
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50006946
PNG
(2-[2-(2-{2-[2-Diallylamino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
Show InChI InChI=1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1
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35n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity at Opioid receptor delta 1 in guinea pig brain membranes


J Med Chem 34: 1757-62 (1991)


Article DOI: 10.1021/jm00110a001
BindingDB Entry DOI: 10.7270/Q2DZ08XD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50006946
PNG
(2-[2-(2-{2-[2-Diallylamino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
Show InChI InChI=1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1
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35n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against Opioid receptor delta 1 in guinea pig brain membrane using [3H]- DPDPE as ligand


J Med Chem 35: 4325-9 (1992)


Article DOI: 10.1021/jm00101a009
BindingDB Entry DOI: 10.7270/Q2DF6RTZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50006946
PNG
(2-[2-(2-{2-[2-Diallylamino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
Show InChI InChI=1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1
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35n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity was measured by the displacement of [3H]- DADLE in guinea pig brain membrane of opioid receptor delta


J Med Chem 33: 1714-20 (1990)


Article DOI: 10.1021/jm00168a028
BindingDB Entry DOI: 10.7270/Q27P9003
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50006946
PNG
(2-[2-(2-{2-[2-Diallylamino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
Show InChI InChI=1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1
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35n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity was measured by the displacement of [3H]- EK in guinea pig brain membrane of opioid receptor kappa


J Med Chem 33: 1714-20 (1990)


Article DOI: 10.1021/jm00168a028
BindingDB Entry DOI: 10.7270/Q27P9003
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50006946
PNG
(2-[2-(2-{2-[2-Diallylamino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
Show InChI InChI=1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1
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n/an/a 703n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity was measured in cloned Opioid receptor delta 1 expressed in CHO cells using [3H]- DPDPE as radioligand.


J Med Chem 43: 3941-8 (2000)


Article DOI: 10.1021/jm000123u
BindingDB Entry DOI: 10.7270/Q2CV4JG2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50006946
PNG
(2-[2-(2-{2-[2-Diallylamino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
Show InChI InChI=1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1
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n/an/a 3.25E+3n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for agonist activity against delta opioid receptor mouse vas deferens


J Med Chem 37: 2125-8 (1994)


Article DOI: 10.1021/jm00040a002
BindingDB Entry DOI: 10.7270/Q2ZG6SWK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50006946
PNG
(2-[2-(2-{2-[2-Diallylamino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
Show InChI InChI=1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1
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n/an/an/an/a 116n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inverse agonist activity at human DOR expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 25: 2927-30 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.038
BindingDB Entry DOI: 10.7270/Q28C9Z0W
More data for this
Ligand-Target Pair