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Compile Data Set for Download or QSAR

Found 112 hits of ec50 for UniProtKB: P42866   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
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)
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
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)
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
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)
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)
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
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)
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)
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)
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
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
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)
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
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)
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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n/an/an/an/a 1.30n/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)
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)
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)
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)
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)
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)
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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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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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)
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
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
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
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
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
Mu-type opioid receptor


(MOUSE)
BDBM50318412
PNG
(7alpha-(1-Hydroxy-1-methyl-ethyl)-6-propoxy-6-deme...)
Show SMILES CCCO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45
Show InChI InChI=1S/C26H35NO3/c1-6-13-29-26-10-9-24(15-18(26)23(2,3)4)19-14-16-7-8-17(28)21-20(16)25(24,22(26)30-21)11-12-27(19)5/h7-10,18-19,22,28H,6,11-15H2,1-5H3/t18-,19-,22-,24-,25+,26-/m1/s1
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n/an/an/an/a 1.99n/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in Swiss albino mouse ileum assessed as inhibition of electrically-stimulated muscle contraction


Bioorg Med Chem 18: 3535-42 (2010)


Article DOI: 10.1016/j.bmc.2010.03.068
BindingDB Entry DOI: 10.7270/Q2JS9QK7
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50533718
PNG
(CHEMBL4530421)
Show SMILES CC[C@@H]1CN2CC[C@]3(Nc4cccc(O)c4C3=O)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC
Show InChI InChI=1S/C22H28N2O5/c1-4-13-11-24-9-8-22(20(26)19-16(23-22)6-5-7-17(19)25)18(24)10-14(13)15(12-28-2)21(27)29-3/h5-7,12-14,18,23,25H,4,8-11H2,1-3H3/b15-12+/t13-,14+,18+,22+/m1/s1
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n/an/an/an/a 2n/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)
BDBM50506227
PNG
(CHEMBL4459104)
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+;/m0./s1
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n/an/an/an/a 2.20n/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)
BDBM50508338
PNG
(CHEMBL4569785)
Show SMILES CCc1cnccc1C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C28H33N3O4/c1-2-17-14-29-11-8-19(17)26(33)30-20-7-9-28(34)22-13-18-5-6-21(32)24-23(18)27(28,25(20)35-24)10-12-31(22)15-16-3-4-16/h5-6,8,11,14,16,20,22,25,32,34H,2-4,7,9-10,12-13,15H2,1H3,(H,30,33)/t20-,22-,25+,27+,28-/m1/s1
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n/an/an/an/a 2.30n/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)
BDBM50506209
PNG
(CHEMBL4560853)
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+;/m0./s1
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n/an/an/an/a 2.5n/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)
BDBM50508332
PNG
(CHEMBL4567820)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncc1C1CCCCC1
Show InChI InChI=1S/C32H39N3O4/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/h8-9,11,14,17,19-20,24,26,29,36,38H,1-7,10,12-13,15-16,18H2,(H,34,37)/t24-,26-,29+,31+,32-/m1/s1
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n/an/an/an/a 2.5n/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)
BDBM50066285
PNG
(CHEMBL2419124)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cc2ccccc2c(Cl)n1
Show InChI InChI=1S/C30H30ClN3O4/c31-27-19-4-2-1-3-17(19)13-21(32-27)28(36)33-20-9-10-30(37)23-14-18-7-8-22(35)25-24(18)29(30,26(20)38-25)11-12-34(23)15-16-5-6-16/h1-4,7-8,13,16,20,23,26,35,37H,5-6,9-12,14-15H2,(H,33,36)/t20-,23+,26-,29-,30+/m0/s1
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n/an/an/an/a 2.60n/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)
BDBM50066285
PNG
(CHEMBL2419124)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](CC[C@@]35O)NC(=O)c1cc2ccccc2c(Cl)n1
Show InChI InChI=1S/C30H30ClN3O4/c31-27-19-4-2-1-3-17(19)13-21(32-27)28(36)33-20-9-10-30(37)23-14-18-7-8-22(35)25-24(18)29(30,26(20)38-25)11-12-34(23)15-16-5-6-16/h1-4,7-8,13,16,20,23,26,35,37H,5-6,9-12,14-15H2,(H,33,36)/t20-,23+,26-,29-,30+/m0/s1
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n/an/an/an/a 2.60n/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
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