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Compile Data Set for Download or QSAR

Found 2573 hits Enz. Inhib. hit(s) with Target = 'Opioid receptors; mu and delta'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
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
Mu-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 0.160n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Stimulation of mouse MOR 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
Opioid receptors; mu and delta


(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 0.160n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at mouse mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding after 1.5 hrs


Bioorg Med Chem Lett 23: 5045-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.043
BindingDB Entry DOI: 10.7270/Q2H41VC9
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50506225
PNG
(CHEMBL4562210)
Show SMILES Cl.Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2sccc2c1
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-5-3-18-14-23-29(34)9-7-20(30-27(33)19-4-6-22-17(13-19)8-12-36-22)26-28(29,24(18)25(21)35-26)10-11-31(23)15-16-1-2-16;/h3-6,8,12-13,16,20,23,26,32,34H,1-2,7,9-11,14-15H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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n/an/an/an/a 0.190n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant mouse mu opioid receptor expressed in CHO cell membrane assessed as [35]-GTPgammaS binding incubated for 1.5 hrs by s...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50506211
PNG
(CHEMBL4444746)
Show SMILES Cl.Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2ccsc2c1
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-6-5-18-14-23-29(34)9-7-20(30-27(33)19-4-3-17-8-12-36-22(17)13-19)26-28(29,24(18)25(21)35-26)10-11-31(23)15-16-1-2-16;/h3-6,8,12-13,16,20,23,26,32,34H,1-2,7,9-11,14-15H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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n/an/an/an/a 0.210n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant mouse mu opioid receptor expressed in CHO cell membrane assessed as [35]-GTPgammaS binding incubated for 1.5 hrs by s...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50506217
PNG
(CHEMBL4458688)
Show SMILES Cl.Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-20-8-7-18-14-23-29(34)10-9-19(30-27(33)22-13-17-3-1-2-4-21(17)36-22)26-28(29,24(18)25(20)35-26)11-12-31(23)15-16-5-6-16;/h1-4,7-8,13,16,19,23,26,32,34H,5-6,9-12,14-15H2,(H,30,33);1H/t19-,23-,26+,28+,29-;/m1./s1
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n/an/an/an/a 0.240n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant mouse mu opioid receptor expressed in CHO cell membrane assessed as [35]-GTPgammaS binding incubated for 1.5 hrs by s...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50506231
PNG
(CHEMBL4575933)
Show SMILES Cl.Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc2sccc12
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-7-6-17-14-23-29(34)10-8-20(30-27(33)19-2-1-3-22-18(19)9-13-36-22)26-28(29,24(17)25(21)35-26)11-12-31(23)15-16-4-5-16;/h1-3,6-7,9,13,16,20,23,26,32,34H,4-5,8,10-12,14-15H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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n/an/an/an/a 0.320n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant mouse mu opioid receptor expressed in CHO cell membrane assessed as [35]-GTPgammaS binding incubated for 1.5 hrs by s...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
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)


Article DOI: 10.1016/s0960-894x(00)00569-2
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)


Article DOI: 10.1021/jm00038a004
BindingDB Entry DOI: 10.7270/Q2N58N1K
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50506210
PNG
(CHEMBL4455793)
Show SMILES Cl.Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1csc2ccccc12
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-8-7-17-13-23-29(34)10-9-20(30-27(33)19-15-36-22-4-2-1-3-18(19)22)26-28(29,24(17)25(21)35-26)11-12-31(23)14-16-5-6-16;/h1-4,7-8,15-16,20,23,26,32,34H,5-6,9-14H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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n/an/an/an/a 0.370n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant mouse mu opioid receptor expressed in CHO cell membrane assessed as [35]-GTPgammaS binding incubated for 1.5 hrs by s...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50506228
PNG
(CHEMBL4570108)
Show SMILES Cl.Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C29H30N2O5.ClH/c32-20-8-7-18-14-23-29(34)10-9-19(30-27(33)22-13-17-3-1-2-4-21(17)35-22)26-28(29,24(18)25(20)36-26)11-12-31(23)15-16-5-6-16;/h1-4,7-8,13,16,19,23,26,32,34H,5-6,9-12,14-15H2,(H,30,33);1H/t19-,23-,26+,28+,29-;/m1./s1
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n/an/an/an/a 0.390n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant mouse mu opioid receptor expressed in CHO cell membrane assessed as [35]-GTPgammaS binding incubated for 1.5 hrs by s...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50506219
PNG
(CHEMBL4460495)
Show SMILES Cl.Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2occc2c1
Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-5-3-18-14-23-29(34)9-7-20(30-27(33)19-4-6-22-17(13-19)8-12-35-22)26-28(29,24(18)25(21)36-26)10-11-31(23)15-16-1-2-16;/h3-6,8,12-13,16,20,23,26,32,34H,1-2,7,9-11,14-15H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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n/an/an/an/a 0.410n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant mouse mu opioid receptor expressed in CHO cell membrane assessed as [35]-GTPgammaS binding incubated for 1.5 hrs by s...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50506207
PNG
(CHEMBL4466064)
Show SMILES Cl.Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1coc2ccccc12
Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-8-7-17-13-23-29(34)10-9-20(30-27(33)19-15-35-22-4-2-1-3-18(19)22)26-28(29,24(17)25(21)36-26)11-12-31(23)14-16-5-6-16;/h1-4,7-8,15-16,20,23,26,32,34H,5-6,9-14H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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n/an/an/an/a 0.470n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant mouse mu opioid receptor expressed in CHO cell membrane assessed as [35]-GTPgammaS binding incubated for 1.5 hrs by s...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50508336
PNG
(CHEMBL4530500)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncc1[N+]([O-])=O
Show InChI InChI=1S/C26H28N4O6/c31-19-4-3-15-11-20-26(33)7-5-17(28-24(32)16-6-9-27-12-18(16)30(34)35)23-25(26,21(15)22(19)36-23)8-10-29(20)13-14-1-2-14/h3-4,6,9,12,14,17,20,23,31,33H,1-2,5,7-8,10-11,13H2,(H,28,32)/t17-,20-,23+,25+,26-/m1/s1
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n/an/an/an/a 0.530n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at mouse MOR expressed in CHO cell membranes assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding after 90 mins


J Med Chem 62: 561-574 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01158
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50506218
PNG
(CHEMBL4565323)
Show SMILES Cl.Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc2occc12
Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-7-6-17-14-23-29(34)10-8-20(30-27(33)19-2-1-3-22-18(19)9-13-35-22)26-28(29,24(17)25(21)36-26)11-12-31(23)15-16-4-5-16;/h1-3,6-7,9,13,16,20,23,26,32,34H,4-5,8,10-12,14-15H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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n/an/an/an/a 0.590n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant mouse mu opioid receptor expressed in CHO cell membrane assessed as [35]-GTPgammaS binding incubated for 1.5 hrs by s...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50506213
PNG
(CHEMBL4457013)
Show SMILES Cl.Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2ccoc2c1
Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-6-5-18-14-23-29(34)9-7-20(30-27(33)19-4-3-17-8-12-35-22(17)13-19)26-28(29,24(18)25(21)36-26)10-11-31(23)15-16-1-2-16;/h3-6,8,12-13,16,20,23,26,32,34H,1-2,7,9-11,14-15H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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n/an/an/an/a 0.590n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant mouse mu opioid receptor expressed in CHO cell membrane assessed as [35]-GTPgammaS binding incubated for 1.5 hrs by s...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
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)


Article DOI: 10.1021/jm00038a004
BindingDB Entry DOI: 10.7270/Q2N58N1K
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50533717
PNG
(CHEMBL4449284)
Show SMILES CC[C@@H]1CN2CC[C@]3(Nc4cccc(C#N)c4C3=O)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
Show InChI InChI=1S/C23H27N3O4/c1-4-14-12-26-9-8-23(19(26)10-16(14)17(13-29-2)22(28)30-3)21(27)20-15(11-24)6-5-7-18(20)25-23/h5-7,13-14,16,19,25H,4,8-10,12H2,1-3H3/b17-13+/t14-,16+,19+,23+/m1/s1
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n/an/an/an/a 0.700n/an/an/an/a



Memorial Sloan Kettering Cancer Center

Curated by ChEMBL


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


J Med Chem 59: 8381-97 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00748
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50506223
PNG
(CHEMBL4476318)
Show SMILES Cl.Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cccc2occc12
Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-7-6-17-14-23-29(34)10-8-20(30-27(33)19-2-1-3-22-18(19)9-13-35-22)26-28(29,24(17)25(21)36-26)11-12-31(23)15-16-4-5-16;/h1-3,6-7,9,13,16,20,23,26,32,34H,4-5,8,10-12,14-15H2,(H,30,33);1H/t20-,23+,26-,28-,29+;/m0./s1
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n/an/an/an/a 0.770n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant mouse mu opioid receptor expressed in CHO cell membrane assessed as [35]-GTPgammaS binding incubated for 1.5 hrs by s...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50528969
PNG
(CHEMBL4458337)
Show SMILES CC[C@@H]1CN2CC[C@]3(Nc4cccc(c4C3=O)-c3ccccc3)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
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
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
Opioid receptors; mu and delta


(MOUSE)
BDBM50506220
PNG
(CHEMBL4588474)
Show SMILES Cl.Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc2ccoc12
Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-7-6-18-14-22-29(34)10-8-20(30-27(33)19-3-1-2-17-9-13-35-24(17)19)26-28(29,23(18)25(21)36-26)11-12-31(22)15-16-4-5-16;/h1-3,6-7,9,13,16,20,22,26,32,34H,4-5,8,10-12,14-15H2,(H,30,33);1H/t20-,22-,26+,28+,29-;/m1./s1
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n/an/an/an/a 0.950n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant mouse mu opioid receptor expressed in CHO cell membrane assessed as [35]-GTPgammaS binding incubated for 1.5 hrs by s...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50506224
PNG
(CHEMBL4442161)
Show SMILES Cl.Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cccc2ccoc12
Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-7-6-18-14-22-29(34)10-8-20(30-27(33)19-3-1-2-17-9-13-35-24(17)19)26-28(29,23(18)25(21)36-26)11-12-31(22)15-16-4-5-16;/h1-3,6-7,9,13,16,20,22,26,32,34H,4-5,8,10-12,14-15H2,(H,30,33);1H/t20-,22+,26-,28-,29+;/m0./s1
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n/an/an/an/a 0.970n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant mouse mu opioid receptor expressed in CHO cell membrane assessed as [35]-GTPgammaS binding incubated for 1.5 hrs by s...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50066277
PNG
(CHEMBL2419119)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)CCc1cc2ccccc2cn1
Show InChI InChI=1S/C32H35N3O4/c36-25-9-7-21-16-26-32(38)12-11-24(34-27(37)10-8-23-15-20-3-1-2-4-22(20)17-33-23)30-31(32,28(21)29(25)39-30)13-14-35(26)18-19-5-6-19/h1-4,7,9,15,17,19,24,26,30,36,38H,5-6,8,10-14,16,18H2,(H,34,37)/t24-,26+,30-,31-,32+/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Stimulation of mouse MOR 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
Opioid receptors; mu and delta


(MOUSE)
BDBM50066277
PNG
(CHEMBL2419119)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)CCc1cc2ccccc2cn1
Show InChI InChI=1S/C32H35N3O4/c36-25-9-7-21-16-26-32(38)12-11-24(34-27(37)10-8-23-15-20-3-1-2-4-22(20)17-33-23)30-31(32,28(21)29(25)39-30)13-14-35(26)18-19-5-6-19/h1-4,7,9,15,17,19,24,26,30,36,38H,5-6,8,10-14,16,18H2,(H,34,37)/t24-,26+,30-,31-,32+/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at mouse mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding after 1.5 hrs


Bioorg Med Chem Lett 23: 5045-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.043
BindingDB Entry DOI: 10.7270/Q2H41VC9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50066282
PNG
(CHEMBL2417568)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ncc2ccccc2c1O
Show InChI InChI=1S/C30H31N3O5/c34-21-8-7-17-13-22-30(37)10-9-20(32-28(36)24-25(35)19-4-2-1-3-18(19)14-31-24)27-29(30,23(17)26(21)38-27)11-12-33(22)15-16-5-6-16/h1-4,7-8,14,16,20,22,27,34-35,37H,5-6,9-13,15H2,(H,32,36)/t20-,22+,27-,29-,30+/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Stimulation of mouse MOR 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
Opioid receptors; mu and delta


(MOUSE)
BDBM50506214
PNG
(CHEMBL4463978)
Show SMILES Cl.Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cccc2sccc12
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-7-6-17-14-23-29(34)10-8-20(30-27(33)19-2-1-3-22-18(19)9-13-36-22)26-28(29,24(17)25(21)35-26)11-12-31(23)15-16-4-5-16;/h1-3,6-7,9,13,16,20,23,26,32,34H,4-5,8,10-12,14-15H2,(H,30,33);1H/t20-,23+,26-,28-,29+;/m0./s1
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n/an/an/an/a 1.10n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant mouse mu opioid receptor expressed in CHO cell membrane assessed as [35]-GTPgammaS binding incubated for 1.5 hrs by s...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50066282
PNG
(CHEMBL2417568)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1ncc2ccccc2c1O
Show InChI InChI=1S/C30H31N3O5/c34-21-8-7-17-13-22-30(37)10-9-20(32-28(36)24-25(35)19-4-2-1-3-18(19)14-31-24)27-29(30,23(17)26(21)38-27)11-12-33(22)15-16-5-6-16/h1-4,7-8,14,16,20,22,27,34-35,37H,5-6,9-13,15H2,(H,32,36)/t20-,22+,27-,29-,30+/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at mouse mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding after 1.5 hrs


Bioorg Med Chem Lett 23: 5045-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.043
BindingDB Entry DOI: 10.7270/Q2H41VC9
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50508331
PNG
(CHEMBL4538841)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncc1F
Show InChI InChI=1S/C26H28FN3O4/c27-17-12-28-9-6-16(17)24(32)29-18-5-7-26(33)20-11-15-3-4-19(31)22-21(15)25(26,23(18)34-22)8-10-30(20)13-14-1-2-14/h3-4,6,9,12,14,18,20,23,31,33H,1-2,5,7-8,10-11,13H2,(H,29,32)/t18-,20-,23+,25+,26-/m1/s1
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n/an/an/an/a 1.20n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at mouse MOR expressed in CHO cell membranes assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding after 90 mins


J Med Chem 62: 561-574 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01158
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50066280
PNG
(CHEMBL2419122)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1nc(Cl)c2ccccc2c1O
Show InChI InChI=1S/C30H30ClN3O5/c31-27-18-4-2-1-3-17(18)24(36)23(33-27)28(37)32-19-9-10-30(38)21-13-16-7-8-20(35)25-22(16)29(30,26(19)39-25)11-12-34(21)14-15-5-6-15/h1-4,7-8,15,19,21,26,35-36,38H,5-6,9-14H2,(H,32,37)/t19-,21+,26-,29-,30+/m0/s1
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n/an/an/an/a 1.20n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Stimulation of mouse MOR 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
Opioid receptors; mu and delta


(MOUSE)
BDBM50066280
PNG
(CHEMBL2419122)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1nc(Cl)c2ccccc2c1O
Show InChI InChI=1S/C30H30ClN3O5/c31-27-18-4-2-1-3-17(18)24(36)23(33-27)28(37)32-19-9-10-30(38)21-13-16-7-8-20(35)25-22(16)29(30,26(19)39-25)11-12-34(21)14-15-5-6-15/h1-4,7-8,15,19,21,26,35-36,38H,5-6,9-14H2,(H,32,37)/t19-,21+,26-,29-,30+/m0/s1
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n/an/an/an/a 1.20n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at mouse mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding after 1.5 hrs


Bioorg Med Chem Lett 23: 5045-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.043
BindingDB Entry DOI: 10.7270/Q2H41VC9
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(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
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
Opioid receptors; mu and delta


(MOUSE)
BDBM50508333
PNG
(CHEMBL4540013)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncc1C#N
Show InChI InChI=1S/C27H28N4O4/c28-12-17-13-29-9-6-18(17)25(33)30-19-5-7-27(34)21-11-16-3-4-20(32)23-22(16)26(27,24(19)35-23)8-10-31(21)14-15-1-2-15/h3-4,6,9,13,15,19,21,24,32,34H,1-2,5,7-8,10-11,14H2,(H,30,33)/t19-,21-,24+,26+,27-/m1/s1
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Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at mouse MOR expressed in CHO cell membranes assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding after 90 mins


J Med Chem 62: 561-574 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01158
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(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
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 1.30n/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
Opioid receptors; mu and delta


(MOUSE)
BDBM50508340
PNG
(CHEMBL4469986)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncc1C(F)(F)F
Show InChI InChI=1S/C27H28F3N3O4/c28-27(29,30)17-12-31-9-6-16(17)24(35)32-18-5-7-26(36)20-11-15-3-4-19(34)22-21(15)25(26,23(18)37-22)8-10-33(20)13-14-1-2-14/h3-4,6,9,12,14,18,20,23,34,36H,1-2,5,7-8,10-11,13H2,(H,32,35)/t18-,20-,23+,25+,26-/m1/s1
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n/an/an/an/a 1.40n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at mouse MOR expressed in CHO cell membranes assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding after 90 mins


J Med Chem 62: 561-574 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01158
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50528969
PNG
(CHEMBL4458337)
Show SMILES CC[C@@H]1CN2CC[C@]3(Nc4cccc(c4C3=O)-c3ccccc3)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
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 1.40n/an/an/an/a



Memorial Sloan Kettering Cancer Center

Curated by ChEMBL


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


J Med Chem 59: 8381-97 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00748
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50493749
PNG
(CHEMBL2437063)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@H]4NC(=O)\C=C\c1ccccc1)ccc5O
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 1.40n/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Agonist activity at mouse cloned mu 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
Opioid receptors; mu and delta


(MOUSE)
BDBM50533716
PNG
(CHEMBL4453504)
Show SMILES CC[C@@H]1CN2CC[C@]3(Nc4ccccc4C3=O)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
Show InChI InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(20(25)15-7-5-6-8-18(15)23-22)19(24)11-16(14)17(13-27-2)21(26)28-3/h5-8,13-14,16,19,23H,4,9-12H2,1-3H3/b17-13+/t14-,16+,19+,22+/m1/s1
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n/an/an/an/a 1.40n/an/an/an/a



Memorial Sloan Kettering Cancer Center

Curated by ChEMBL


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


J Med Chem 59: 8381-97 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00748
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50533719
PNG
(CHEMBL4441457)
Show SMILES CC[C@@H]1CN2CC[C@]3(Nc4cccc(-c5ccoc5)c4C3=O)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
Show InChI InChI=1S/C26H30N2O5/c1-4-16-13-28-10-9-26(22(28)12-19(16)20(15-31-2)25(30)32-3)24(29)23-18(17-8-11-33-14-17)6-5-7-21(23)27-26/h5-8,11,14-16,19,22,27H,4,9-10,12-13H2,1-3H3/b20-15+/t16-,19+,22+,26+/m1/s1
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n/an/an/an/a 1.5n/an/an/an/a



Memorial Sloan Kettering Cancer Center

Curated by ChEMBL


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


J Med Chem 59: 8381-97 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00748
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50508339
PNG
(CHEMBL4483410)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncc1-c1ccccc1
Show InChI InChI=1S/C32H33N3O4/c36-25-9-8-21-16-26-32(38)12-10-24(34-30(37)22-11-14-33-17-23(22)20-4-2-1-3-5-20)29-31(32,27(21)28(25)39-29)13-15-35(26)18-19-6-7-19/h1-5,8-9,11,14,17,19,24,26,29,36,38H,6-7,10,12-13,15-16,18H2,(H,34,37)/t24-,26-,29+,31+,32-/m1/s1
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n/an/an/an/a 1.5n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at mouse MOR expressed in CHO cell membranes assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding after 90 mins


J Med Chem 62: 561-574 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01158
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(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
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 1.60n/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
Opioid receptors; mu and delta


(MOUSE)
BDBM50506226
PNG
(CHEMBL4439476)
Show SMILES Cl.Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1coc2ccccc12
Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-8-7-17-13-23-29(34)10-9-20(30-27(33)19-15-35-22-4-2-1-3-18(19)22)26-28(29,24(17)25(21)36-26)11-12-31(23)14-16-5-6-16;/h1-4,7-8,15-16,20,23,26,32,34H,5-6,9-14H2,(H,30,33);1H/t20-,23+,26-,28-,29+;/m0./s1
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n/an/an/an/a 1.60n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant mouse mu opioid receptor expressed in CHO cell membrane assessed as [35]-GTPgammaS binding incubated for 1.5 hrs by s...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50474150
PNG
(CHEMBL58362)
Show SMILES CC[C@@H]1CN2CC[C@]3(Nc4cccc(OC)c4C3=O)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1
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n/an/an/an/a 1.70n/an/an/an/a



Memorial Sloan Kettering Cancer Center

Curated by ChEMBL


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


J Med Chem 59: 8381-97 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00748
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50066279
PNG
(CHEMBL2419121)
Show SMILES COc1c(nc(Cl)c2ccccc12)C(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
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 1.70n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at mouse mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding after 1.5 hrs


Bioorg Med Chem Lett 23: 5045-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.043
BindingDB Entry DOI: 10.7270/Q2H41VC9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50066279
PNG
(CHEMBL2419121)
Show SMILES COc1c(nc(Cl)c2ccccc12)C(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
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 1.70n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Stimulation of mouse MOR 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
Opioid receptors; mu and delta


(MOUSE)
BDBM50508337
PNG
(CHEMBL4555537)
Show SMILES OC(=O)c1cnccc1C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C27H29N3O6/c31-19-4-3-15-11-20-27(35)7-5-18(29-24(32)16-6-9-28-12-17(16)25(33)34)23-26(27,21(15)22(19)36-23)8-10-30(20)13-14-1-2-14/h3-4,6,9,12,14,18,20,23,31,35H,1-2,5,7-8,10-11,13H2,(H,29,32)(H,33,34)/t18-,20-,23+,26+,27-/m1/s1
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n/an/an/an/a 1.80n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at mouse MOR expressed in CHO cell membranes assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding after 90 mins


J Med Chem 62: 561-574 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01158
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)
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
Opioid receptors; mu and delta


(MOUSE)
BDBM50506222
PNG
(CHEMBL4572619)
Show SMILES Cl.Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1csc2ccccc12
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-8-7-17-13-23-29(34)10-9-20(30-27(33)19-15-36-22-4-2-1-3-18(19)22)26-28(29,24(17)25(21)35-26)11-12-31(23)14-16-5-6-16;/h1-4,7-8,15-16,20,23,26,32,34H,5-6,9-14H2,(H,30,33);1H/t20-,23+,26-,28-,29+;/m0./s1
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n/an/an/an/a 1.90n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant mouse mu opioid receptor expressed in CHO cell membrane assessed as [35]-GTPgammaS binding incubated for 1.5 hrs by s...


J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50508341
PNG
(CHEMBL4580789)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncc1C1CCCC1
Show InChI InChI=1S/C31H37N3O4/c35-24-8-7-20-15-25-31(37)11-9-23(33-29(36)21-10-13-32-16-22(21)19-3-1-2-4-19)28-30(31,26(20)27(24)38-28)12-14-34(25)17-18-5-6-18/h7-8,10,13,16,18-19,23,25,28,35,37H,1-6,9,11-12,14-15,17H2,(H,33,36)/t23-,25-,28+,30+,31-/m1/s1
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n/an/an/an/a 1.90n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Antagonist activity at mouse MOR expressed in CHO cell membranes assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding after 90 mins


J Med Chem 62: 561-574 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01158
More data for this
Ligand-Target Pair
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