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Compile Data Set for Download or QSAR

Found 61 hits of ec50 for UniProtKB: P32300   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Delta-type/Mu-type opioid receptor


(MOUSE)		BDBM50393258
PNG
(CHEMBL2151734)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O |r|
Show InChI InChI=1S/C27H37N5O5/c1-16-11-20(33)12-17(2)21(16)14-22(28)26(36)32(5)18(3)25(35)30-23(13-19-9-7-6-8-10-19)27(37)31(4)15-24(29)34/h6-12,18,22-23,33H,13-15,28H2,1-5H3,(H2,29,34)(H,30,35)/t18-,22+,23+/m1/s1
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n/an/an/an/a 0n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at MOR/DOR in in NMRI mouse frontal cortex assessed as reduction in spinal cord network activity by electrophysiology assay

J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
BindingDB Entry DOI: 10.7270/Q25X2B1T
More data for this
Ligand-Target Pair
Delta-type/Mu-type opioid receptor


(MOUSE)		BDBM50393257
PNG
(CHEMBL2151735)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C27H35N5O5/c1-15-9-20(33)10-16(2)21(15)12-22(28)26(36)31(4)17(3)25(35)30-23-11-18-7-5-6-8-19(18)13-32(27(23)37)14-24(29)34/h5-10,17,22-23,33H,11-14,28H2,1-4H3,(H2,29,34)(H,30,35)/t17-,22+,23+/m1/s1
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n/an/an/an/a 0n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at MOR/DOR in in NMRI mouse frontal cortex assessed as reduction in spinal cord network activity by electrophysiology assay

J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
BindingDB Entry DOI: 10.7270/Q25X2B1T
More data for this
Ligand-Target Pair
Delta-type/Mu-type opioid receptor


(MOUSE)		BDBM50376594
PNG
(CHEMBL260120)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O
Show InChI InChI=1S/C25H33N5O5/c1-16(30(3)24(34)20(26)13-18-9-11-19(31)12-10-18)23(33)28-21(14-17-7-5-4-6-8-17)25(35)29(2)15-22(27)32/h4-12,16,20-21,31H,13-15,26H2,1-3H3,(H2,27,32)(H,28,33)/t16-,20+,21+/m1/s1
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n/an/an/an/a 0.00500n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at MOR/DOR in in NMRI mouse frontal cortex assessed as reduction in spinal cord network activity by electrophysiology assay

J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
BindingDB Entry DOI: 10.7270/Q25X2B1T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50142622
PNG
(CHEMBL3758292)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C29H31N5O3/c1-17-11-21(35)12-18(2)22(17)14-23(30)29(37)34-16-20-8-4-3-7-19(20)13-26(34)28(36)31-15-27-32-24-9-5-6-10-25(24)33-27/h3-12,23,26,35H,13-16,30H2,1-2H3,(H,31,36)(H,32,33)/t23-,26+/m0/s1
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n/an/an/an/a 0.0200n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at delta-opioid receptor in mouse vas deferens

Eur J Med Chem 108: 211-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.028
BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair
Delta-type/Mu-type opioid receptor


(MOUSE)		BDBM50554766
PNG
(CHEMBL4795492)
Show SMILES CCC(=O)N(Cc1ccccc1)C1(CCN(CCc2ccccc2)CC1)C(=O)NCCc1cccc(F)c1
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n/an/an/an/a 0.0316n/an/an/an/a


TBA

Assay Description
Agonist activity at MOR/DOR in wild-type C57BL6 mouse spinal cord membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 60 mins...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Delta-type/Mu-type opioid receptor


(MOUSE)		BDBM50554766
PNG
(CHEMBL4795492)
Show SMILES CCC(=O)N(Cc1ccccc1)C1(CCN(CCc2ccccc2)CC1)C(=O)NCCc1cccc(F)c1
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n/an/an/an/a 0.0320n/an/an/an/a


TBA

Assay Description
Agonist activity at MOR/DOR in wild-type C57BL6 mouse spinal cord membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 60 mins...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Delta-type/Mu-type opioid receptor


(MOUSE)		BDBM50393258
PNG
(CHEMBL2151734)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O |r|
Show InChI InChI=1S/C27H37N5O5/c1-16-11-20(33)12-17(2)21(16)14-22(28)26(36)32(5)18(3)25(35)30-23(13-19-9-7-6-8-10-19)27(37)31(4)15-24(29)34/h6-12,18,22-23,33H,13-15,28H2,1-5H3,(H2,29,34)(H,30,35)/t18-,22+,23+/m1/s1
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n/an/an/an/a 0.287n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at MOR/DOR in in NMRI mouse spinal cord assessed as reduction in spinal cord network activity by electrophysiology assay

J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
BindingDB Entry DOI: 10.7270/Q25X2B1T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50009185
PNG
(4-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(O)=O
Show InChI InChI=1S/C38H53N7O11/c1-20(2)31(37(55)40-19-30(49)50)45-38(56)32(21(3)4)44-35(53)27(15-16-29(47)48)42-36(54)28(18-23-9-7-6-8-10-23)43-33(51)22(5)41-34(52)26(39)17-24-11-13-25(46)14-12-24/h6-14,20-22,26-28,31-32,46H,15-19,39H2,1-5H3,(H,40,55)(H,41,52)(H,42,54)(H,43,51)(H,44,53)(H,45,56)(H,47,48)(H,49,50)/t22-,26-,27-,28-,31-,32-/m0/s1
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n/an/an/an/a 0.331n/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Negative logarithm of the molar concentration of delta receptor was determined in mouse vas deferens

Bioorg Med Chem Lett 10: 2745-8 (2000)


BindingDB Entry DOI: 10.7270/Q25H7HF1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50038424
PNG
((S)-3-[(S)-2-((R)-2-Amino-propionylamino)-3-phenyl...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C28H43N7O8/c1-14(2)22(27(42)31-13-20(30)36)35-28(43)23(15(3)4)34-26(41)19(12-21(37)38)33-25(40)18(32-24(39)16(5)29)11-17-9-7-6-8-10-17/h6-10,14-16,18-19,22-23H,11-13,29H2,1-5H3,(H2,30,36)(H,31,42)(H,32,39)(H,33,40)(H,34,41)(H,35,43)(H,37,38)/t16-,18+,19+,22+,23+/m1/s1
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n/an/an/an/a 0.360n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Effective concentration was measured towards delta opioid receptor using mouse vas deferens(MVD, delta) bioassay in vitro

J Med Chem 37: 1746-57 (1994)


BindingDB Entry DOI: 10.7270/Q2N58N1K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50038425
PNG
((S)-3-((S)-2-{(R)-2-[(2S,3S)-2-Amino-3-(4-hydroxy-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)[C@@H](C)c1c(C)cc(O)cc1C)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H58N8O10/c1-19(2)33(39(57)43-18-29(41)50)48-40(58)34(20(3)4)47-37(55)28(17-30(51)52)46-36(54)27(16-25-12-10-9-11-13-25)45-35(53)24(8)44-38(56)32(42)23(7)31-21(5)14-26(49)15-22(31)6/h9-15,19-20,23-24,27-28,32-34,49H,16-18,42H2,1-8H3,(H2,41,50)(H,43,57)(H,44,56)(H,45,53)(H,46,54)(H,47,55)(H,48,58)(H,51,52)/t23-,24+,27-,28-,32-,33-,34-/m0/s1
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n/an/an/an/a 0.660n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Effective concentration was measured towards delta opioid receptor using mouse vas deferens(MVD, delta) bioassay in vitro

J Med Chem 37: 1746-57 (1994)


BindingDB Entry DOI: 10.7270/Q2N58N1K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50528969
PNG
(CHEMBL4458337)
Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2cccc(c2C1=O)-c1ccccc1)C(=C/OC)\C(=O)OC |r|
Show InChI InChI=1S/C28H32N2O4/c1-4-18-16-30-14-13-28(24(30)15-21(18)22(17-33-2)27(32)34-3)26(31)25-20(11-8-12-23(25)29-28)19-9-6-5-7-10-19/h5-12,17-18,21,24,29H,4,13-16H2,1-3H3/b22-17+/t18-,21+,24+,28+/m1/s1
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n/an/an/an/a 0.830n/an/an/an/a



Memorial Sloan Kettering Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at mouse delta opioid receptor-1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding incubated for 60 mins by scintil...

J Med Chem 59: 8381-97 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00748
BindingDB Entry DOI: 10.7270/Q27H1P2H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50182942
PNG
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C29H30N4O2/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(35)33-17-22-11-7-6-10-21(22)14-27(33)28-31-16-26(32-28)20-8-4-3-5-9-20/h3-13,16,25,27,34H,14-15,17,30H2,1-2H3,(H,31,32)/t25-,27-/m0/s1
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n/an/an/an/a 0.900n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Activity against delta opioid receptor by stimulation of [35S]GTPgammaS binding in CHO-hgamma cells

Bioorg Med Chem Lett 16: 2505-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ
More data for this
Ligand-Target Pair
Delta-type/Mu-type opioid receptor


(MOUSE)		BDBM50393257
PNG
(CHEMBL2151735)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C27H35N5O5/c1-15-9-20(33)10-16(2)21(15)12-22(28)26(36)31(4)17(3)25(35)30-23-11-18-7-5-6-8-19(18)13-32(27(23)37)14-24(29)34/h5-10,17,22-23,33H,11-14,28H2,1-4H3,(H2,29,34)(H,30,35)/t17-,22+,23+/m1/s1
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n/an/an/an/a 1.30n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at MOR/DOR in in NMRI mouse spinal cord assessed as reduction in spinal cord network activity by electrophysiology assay

J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
BindingDB Entry DOI: 10.7270/Q25X2B1T
More data for this
Ligand-Target Pair
Delta-type/Mu-type opioid receptor


(MOUSE)		BDBM50000507
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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n/an/an/an/a 1.80n/an/an/an/a


TBA

Assay Description
Agonist activity at MOR/DOR in wild-type C57BL6 mouse spinal cord membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 60 mins...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Delta-type/Mu-type opioid receptor


(MOUSE)		BDBM50000507
PNG
((R)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C38H54N8O10/c1-20(2)31(37(55)41-19-29(40)48)46-38(56)32(21(3)4)45-35(53)27(15-16-30(49)50)43-36(54)28(18-23-9-7-6-8-10-23)44-33(51)22(5)42-34(52)26(39)17-24-11-13-25(47)14-12-24/h6-14,20-22,26-28,31-32,47H,15-19,39H2,1-5H3,(H2,40,48)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H,46,56)(H,49,50)/t22-,26+,27+,28+,31+,32+/m1/s1
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n/an/an/an/a 1.80n/an/an/an/a


TBA

Assay Description
Agonist activity at MOR/DOR in wild-type C57BL6 mouse spinal cord membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 60 mins...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50084127
PNG
((4S,7S,13S)-13-[(2S,3R)-2-Amino-3-(4-hydroxy-2,6-d...)
Show SMILES C[C@@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H45N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26-30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47-46-32(26,4)5/h8-14,19,22,25-27,39H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22+,25+,26+,27+/m1/s1
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n/an/an/an/a 1.80n/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Tested for electrically induced smooth muscle contractions from mouse vas deferens expressed in delta opioid receptors

J Med Chem 41: 4767-76 (1998)


Article DOI: 10.1021/jm980374r
BindingDB Entry DOI: 10.7270/Q2DZ07FQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50133257
PNG
(CHEMBL334369 | [(2S,3R)-TMT1]DPDPE)
Show SMILES C[C@@H]([C@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H47N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26(32(4,5)46)30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47/h8-14,19,22,25-27,39,46-47H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22+,25+,26-,27-/m1/s1
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n/an/an/an/a 1.80n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro bioassay data to determine the effective concentration required for antagonistic activity against Opioid receptor delta 1 in functional assa...

J Med Chem 46: 4215-31 (2003)


Article DOI: 10.1021/jm0303103
BindingDB Entry DOI: 10.7270/Q2JW8FM1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/an/an/a 2.10n/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Agonist activity at mouse cloned delta opioid receptor expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assay

Eur J Med Chem 69: 786-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.031
BindingDB Entry DOI: 10.7270/Q2MK6GTW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50142621
PNG
(CHEMBL3759292)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)30(38)34-18-23-11-7-6-10-22(23)14-27(34)29(37)33-17-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27+/m0/s1
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n/an/an/an/a 2.60n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at delta-opioid receptor in mouse vas deferens

Eur J Med Chem 108: 211-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.028
BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair
Delta-type/Mu-type opioid receptor


(MOUSE)		BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/an/an/a 2.70n/an/an/an/a


TBA

Assay Description
Agonist activity at MOR/DOR in wild-type C57BL6 mouse spinal cord membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 60 mins...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Delta-type/Mu-type opioid receptor


(MOUSE)		BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/an/an/a 2.70n/an/an/an/a


TBA

Assay Description
Agonist activity at MOR/DOR in wild-type C57BL6 mouse spinal cord membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 60 mins...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00901
BindingDB Entry DOI: 10.7270/Q2ZW1QKZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50182947
PNG
(4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazo...)
Show SMILES N[C@@H](Cc1ccc(cc1)C(N)=O)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C28H27N5O2/c29-23(14-18-10-12-20(13-11-18)26(30)34)28(35)33-17-22-9-5-4-8-21(22)15-25(33)27-31-16-24(32-27)19-6-2-1-3-7-19/h1-13,16,23,25H,14-15,17,29H2,(H2,30,34)(H,31,32)/t23-,25-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Activity against delta opioid receptor by stimulation of [35S]GTPgammaS binding in CHO-hgamma cells

Bioorg Med Chem Lett 16: 2505-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50142620
PNG
(CHEMBL3758712)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C29H32N4O4/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(37)33-17-21-9-7-6-8-20(21)14-26(33)28(36)31-16-27(35)32-22-10-4-3-5-11-22/h3-13,25-26,34H,14-17,30H2,1-2H3,(H,31,36)(H,32,35)/t25-,26+/m0/s1
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n/an/an/an/a 3n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at delta-opioid receptor in mouse vas deferens

Eur J Med Chem 108: 211-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.028
BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/an/an/a 4.10n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Effective concentration was measured towards delta opioid receptor using mouse vas deferens(MVD, delta) bioassay in vitro

J Med Chem 37: 1746-57 (1994)


BindingDB Entry DOI: 10.7270/Q2N58N1K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/an/an/a 4.10n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro bioassay data to determine the effective concentration required for antagonistic activity against Opioid receptor delta 1 in functional assa...

J Med Chem 46: 4215-31 (2003)


Article DOI: 10.1021/jm0303103
BindingDB Entry DOI: 10.7270/Q2JW8FM1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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n/an/an/an/a 4.40n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at mouse DOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Delta-type/Mu-type opioid receptor


(MOUSE)		BDBM50376593
PNG
(CHEMBL409225 | SB-0304)
Show SMILES C[C@@H](N1Cc2cc(O)ccc2C[C@H](N)C1=O)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O
Show InChI InChI=1S/C25H29N5O5/c1-14(30-12-18-8-19(31)7-6-16(18)9-20(26)24(30)34)23(33)28-21-10-15-4-2-3-5-17(15)11-29(25(21)35)13-22(27)32/h2-8,14,20-21,31H,9-13,26H2,1H3,(H2,27,32)(H,28,33)/t14-,20+,21+/m1/s1
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n/an/an/an/a 6.70n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at MOR/DOR in in NMRI mouse spinal cord assessed as reduction in spinal cord network activity by electrophysiology assay

J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
BindingDB Entry DOI: 10.7270/Q25X2B1T
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50026762
PNG
(CHEMBL3331510)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C50H62N10O10S2/c1-49(2)41(57-43(65)35(51)23-31-15-19-33(61)20-16-31)47(69)53-27-39(63)55-37(25-29-11-7-5-8-12-29)45(67)59-60-46(68)38(26-30-13-9-6-10-14-30)56-40(64)28-54-48(70)42(50(3,4)72-71-49)58-44(66)36(52)24-32-17-21-34(62)22-18-32/h5-22,35-38,41-42,61-62H,23-28,51-52H2,1-4H3,(H,53,69)(H,54,70)(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t35-,36-,37-,38-,41-,42-/m0/s1
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n/an/an/an/a 7.10n/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Agonist activity at mouse delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay

ACS Med Chem Lett 5: 1032-6 (2014)


Article DOI: 10.1021/ml500241n
BindingDB Entry DOI: 10.7270/Q23T9JS5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50026764
PNG
(CHEMBL3331509)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C40H57N7O11/c1-6-22(3)33(39(57)42-21-32(51)52)47-40(58)34(23(4)7-2)46-37(55)29(17-18-31(49)50)44-38(56)30(20-25-11-9-8-10-12-25)45-35(53)24(5)43-36(54)28(41)19-26-13-15-27(48)16-14-26/h8-16,22-24,28-30,33-34,48H,6-7,17-21,41H2,1-5H3,(H,42,57)(H,43,54)(H,44,56)(H,45,53)(H,46,55)(H,47,58)(H,49,50)(H,51,52)/t22-,23-,24-,28-,29-,30-,33-,34-/m0/s1
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n/an/an/an/a 7.70n/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Agonist activity at mouse delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay

ACS Med Chem Lett 5: 1032-6 (2014)


Article DOI: 10.1021/ml500241n
BindingDB Entry DOI: 10.7270/Q23T9JS5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50493749
PNG
(CHEMBL2437063)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@H]2NC(=O)\C=C\c1ccccc1)ccc3O |r,c:19,THB:10:9:6.4.5:14|
Show InChI InChI=1S/C26H26N2O3/c1-28-14-13-26-18-9-10-19(27-22(30)12-7-16-5-3-2-4-6-16)25(26)31-24-21(29)11-8-17(23(24)26)15-20(18)28/h2-12,18-20,25,29H,13-15H2,1H3,(H,27,30)/b12-7+/t18-,19+,20+,25-,26-/m0/s1
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n/an/an/an/a 9.10n/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Agonist activity at mouse cloned delta opioid receptor expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assay

Eur J Med Chem 69: 786-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.031
BindingDB Entry DOI: 10.7270/Q2MK6GTW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM21008
PNG
((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Memorial Sloan Kettering Cancer Center

Curated by ChEMBL


Assay Description
Agonist activity at mouse delta opioid receptor-1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding incubated for 60 mins by scintil...

J Med Chem 59: 8381-97 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00748
BindingDB Entry DOI: 10.7270/Q27H1P2H
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50154036
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O2/c28-23(14-18-10-12-22(32)13-11-18)27(33)31-17-21-9-5-4-8-20(21)15-25(31)26-29-16-24(30-26)19-6-2-1-3-7-19/h1-13,16,23,25,32H,14-15,17,28H2,(H,29,30)/t23-,25-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Activity against delta opioid receptor by stimulation of [35S]GTPgammaS binding in CHO-hgamma cells

Bioorg Med Chem Lett 16: 2505-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50182943
PNG
(4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazo...)
Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C30H31N5O2/c1-18-12-23(28(32)36)13-19(2)24(18)15-25(31)30(37)35-17-22-11-7-6-10-21(22)14-27(35)29-33-16-26(34-29)20-8-4-3-5-9-20/h3-13,16,25,27H,14-15,17,31H2,1-2H3,(H2,32,36)(H,33,34)/t25-,27-/m0/s1
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n/an/an/an/a 22n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Activity against delta opioid receptor by stimulation of [35S]GTPgammaS binding in CHO-hgamma cells

Bioorg Med Chem Lett 16: 2505-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50066279
PNG
(CHEMBL2419121)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1nc(Cl)c2ccccc2c1OC)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C31H32ClN3O5/c1-39-25-18-4-2-3-5-19(18)28(32)34-24(25)29(37)33-20-10-11-31(38)22-14-17-8-9-21(36)26-23(17)30(31,27(20)40-26)12-13-35(22)15-16-6-7-16/h2-5,8-9,16,20,22,27,36,38H,6-7,10-15H2,1H3,(H,33,37)/t20-,22+,27-,30-,31+/m0/s1
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n/an/an/an/a 33n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at mouse DOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50562078
PNG
(CHEMBL98593)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
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n/an/an/an/a 35n/an/an/an/a


TBA

Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electric-field induced measured after 5 mins

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00530
BindingDB Entry DOI: 10.7270/Q2W95DW9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50182939
PNG
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C25H30N4O2/c1-16-12-19(30)13-17(2)20(16)14-21(26)25(31)29-11-7-6-10-23(29)24-27-15-22(28-24)18-8-4-3-5-9-18/h3-5,8-9,12-13,15,21,23,30H,6-7,10-11,14,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1
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n/an/an/an/a 37n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Activity against delta opioid receptor by stimulation of [35S]GTPgammaS binding in CHO-hgamma cells

Bioorg Med Chem Lett 16: 2505-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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n/an/an/an/a 74n/an/an/an/a


TBA

Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electric-field induced measured after 5 mins

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00530
BindingDB Entry DOI: 10.7270/Q2W95DW9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM21014
PNG
((2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N'-[(2S)-2-{2-[...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1
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n/an/an/an/a 91n/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Agonist activity at mouse delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay

ACS Med Chem Lett 5: 1032-6 (2014)


Article DOI: 10.1021/ml500241n
BindingDB Entry DOI: 10.7270/Q23T9JS5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50292919
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cc2ccccc2cn1 |r|
Show InChI InChI=1S/C30H31N3O4/c34-23-8-7-19-14-24-30(36)10-9-21(32-28(35)22-13-18-3-1-2-4-20(18)15-31-22)27-29(30,25(19)26(23)37-27)11-12-33(24)16-17-5-6-17/h1-4,7-8,13,15,17,21,24,27,34,36H,5-6,9-12,14,16H2,(H,32,35)/t21-,24+,27-,29-,30+/m0/s1
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n/an/an/an/a 99n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at mouse DOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50066348
PNG
(CHEMBL3401554)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cc2cc(ccc2cn1)[N+]([O-])=O)ccc3O |r,TLB:10:9:17:4.5.6|
Show InChI InChI=1S/C30H30N4O6/c35-23-6-4-17-13-24-30(37)8-7-21(27-29(30,25(17)26(23)40-27)9-10-33(24)15-16-1-2-16)32-28(36)22-12-19-11-20(34(38)39)5-3-18(19)14-31-22/h3-6,11-12,14,16,21,24,27,35,37H,1-2,7-10,13,15H2,(H,32,36)/t21-,24+,27-,29-,30+/m0/s1
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n/an/an/an/a 108n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at mouse DOR expressed in CHO cells after 1.5 hrs by [35S]GTPgammaS binding assay

Bioorg Med Chem 23: 1701-15 (2015)


Article DOI: 10.1016/j.bmc.2015.02.055
BindingDB Entry DOI: 10.7270/Q2PK0HTN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM21008
PNG
((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1
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n/an/an/an/a 126n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at DOR in CD1 mouse vas deferens assessed as inhibition of EFS-induced contractions incubated for 60 mins

Bioorg Med Chem 24: 2832-42 (2016)


Article DOI: 10.1016/j.bmc.2016.05.005
BindingDB Entry DOI: 10.7270/Q2VH5QR0
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50182946
PNG
(4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazo...)
Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C26H31N5O2/c1-16-12-19(24(28)32)13-17(2)20(16)14-21(27)26(33)31-11-7-6-10-23(31)25-29-15-22(30-25)18-8-4-3-5-9-18/h3-5,8-9,12-13,15,21,23H,6-7,10-11,14,27H2,1-2H3,(H2,28,32)(H,29,30)/t21-,23-/m0/s1
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n/an/an/an/a 135n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Activity against delta opioid receptor by stimulation of [35S]GTPgammaS binding in CHO-hgamma cells

Bioorg Med Chem Lett 16: 2505-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50562077
PNG
(CHEMBL4754992)
Show SMILES CC(C)C[C@H](OC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
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n/an/an/an/a 140n/an/an/an/a


TBA

Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electric-field induced measured after 5 mins

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00530
BindingDB Entry DOI: 10.7270/Q2W95DW9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50038422
PNG
((4S,7S,13S)-13-[(2S,3S)-2-Amino-3-(4-hydroxy-2,6-d...)
Show SMILES C[C@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H45N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26-30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47-46-32(26,4)5/h8-14,19,22,25-27,39H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22-,25-,26-,27-/m0/s1
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n/an/an/an/a 168n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Effective concentration was measured towards delta opioid receptor using mouse vas deferens(MVD, delta) bioassay in vitro

J Med Chem 37: 1746-57 (1994)


BindingDB Entry DOI: 10.7270/Q2N58N1K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50133264
PNG
(CHEMBL133719 | [(2S,3S)-TMT1]DPDPE)
Show SMILES C[C@H]([C@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H47N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26(32(4,5)46)30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47/h8-14,19,22,25-27,39,46-47H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22-,25-,26+,27+/m0/s1
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n/an/an/an/a 170n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro bioassay data to determine the effective concentration required for antagonistic activity against Opioid receptor delta 1 in functional assa...

J Med Chem 46: 4215-31 (2003)


Article DOI: 10.1021/jm0303103
BindingDB Entry DOI: 10.7270/Q2JW8FM1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50068136
PNG
(3-[(4-Benzyl-piperazin-1-yl)-phenyl-methyl]-phenol...)
Show SMILES Oc1cccc(c1)C(N1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C24H26N2O/c27-23-13-7-12-22(18-23)24(21-10-5-2-6-11-21)26-16-14-25(15-17-26)19-20-8-3-1-4-9-20/h1-13,18,24,27H,14-17,19H2
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n/an/an/an/a 174n/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Tested for electrically induced smooth muscle contractions from mouse vas deferens expressed in delta opioid receptors

J Med Chem 41: 4767-76 (1998)


Article DOI: 10.1021/jm980374r
BindingDB Entry DOI: 10.7270/Q2DZ07FQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50068132
PNG
(3-[(4-Benzyl-piperazin-1-yl)-(4-tert-butyl-phenyl)...)
Show SMILES CC(C)(C)c1ccc(cc1)C(N1CCN(Cc2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H34N2O/c1-28(2,3)25-14-12-23(13-15-25)27(24-10-7-11-26(31)20-24)30-18-16-29(17-19-30)21-22-8-5-4-6-9-22/h4-15,20,27,31H,16-19,21H2,1-3H3
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n/an/an/an/a 210n/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Tested for electrically induced smooth muscle contractions from mouse vas deferens expressed in delta opioid receptors

J Med Chem 41: 4767-76 (1998)


Article DOI: 10.1021/jm980374r
BindingDB Entry DOI: 10.7270/Q2DZ07FQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50068132
PNG
(3-[(4-Benzyl-piperazin-1-yl)-(4-tert-butyl-phenyl)...)
Show SMILES CC(C)(C)c1ccc(cc1)C(N1CCN(Cc2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H34N2O/c1-28(2,3)25-14-12-23(13-15-25)27(24-10-7-11-26(31)20-24)30-18-16-29(17-19-30)21-22-8-5-4-6-9-22/h4-15,20,27,31H,16-19,21H2,1-3H3
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n/an/an/an/a 210n/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Tested for electrically induced smooth muscle contractions from mouse vas deferens expressed in delta opioid receptors

J Med Chem 41: 4767-76 (1998)


Article DOI: 10.1021/jm980374r
BindingDB Entry DOI: 10.7270/Q2DZ07FQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50026763
PNG
(CHEMBL3331511)
Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C50H62N10O10S2/c1-49(2)41(57-43(65)35(51)23-31-15-19-33(61)20-16-31)47(69)53-27-39(63)55-37(25-29-11-7-5-8-12-29)45(67)59-60-46(68)38(26-30-13-9-6-10-14-30)56-40(64)28-54-48(70)42(50(3,4)72-71-49)58-44(66)36(52)24-32-17-21-34(62)22-18-32/h5-22,35-38,41-42,61-62H,23-28,51-52H2,1-4H3,(H,53,69)(H,54,70)(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t35-,36-,37-,38-,41+,42+/m0/s1
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n/an/an/an/a 360n/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Agonist activity at mouse delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay

ACS Med Chem Lett 5: 1032-6 (2014)


Article DOI: 10.1021/ml500241n
BindingDB Entry DOI: 10.7270/Q23T9JS5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50154041
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-2-(5-methyl...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1CCCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C24H28N4O2/c1-16-22(18-7-3-2-4-8-18)27-23(26-16)21-9-5-6-14-28(21)24(30)20(25)15-17-10-12-19(29)13-11-17/h2-4,7-8,10-13,20-21,29H,5-6,9,14-15,25H2,1H3,(H,26,27)/t20-,21-/m0/s1
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UniProtKB/SwissProt

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n/an/an/an/a 500n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Activity against delta opioid receptor by stimulation of [35S]GTPgammaS binding in CHO-hgamma cells

Bioorg Med Chem Lett 16: 2505-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ
More data for this
Ligand-Target Pair
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