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Compile Data Set for Download or QSAR

Found 149 hits of ic50 for UniProtKB: P42866   
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
Mu-type opioid receptor


(MOUSE)
BDBM50274729
PNG
(CHEMBL4128945)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C29H39F3N8O5/c1-15-10-19(41)11-16(2)20(15)13-21(33)25(43)39-22(4-3-9-37-28(35)36)27(45)40-23(26(44)38-14-24(34)42)12-17-5-7-18(8-6-17)29(30,31)32/h5-8,10-11,21-23,41H,3-4,9,12-14,33H2,1-2H3,(H2,34,42)(H,38,44)(H,39,43)(H,40,45)(H4,35,36,37)/t21-,22+,23-/m0/s1
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n/an/a 0.0700n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274686
PNG
(CHEMBL4129679)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C28H39N7O6/c1-16-11-19(36)12-17(2)20(16)14-21(29)25(39)34-22(9-6-10-32-28(30)31)27(41)35-23(26(40)33-15-24(37)38)13-18-7-4-3-5-8-18/h3-5,7-8,11-12,21-23,36H,6,9-10,13-15,29H2,1-2H3,(H,33,40)(H,34,39)(H,35,41)(H,37,38)(H4,30,31,32)/t21-,22+,23-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274689
PNG
(CHEMBL4126050)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C25H32N4O6/c1-14-9-18(30)10-15(2)19(14)12-20(26)24(34)28-16(3)23(33)29-21(25(35)27-13-22(31)32)11-17-7-5-4-6-8-17/h4-10,16,20-21,30H,11-13,26H2,1-3H3,(H,27,35)(H,28,34)(H,29,33)(H,31,32)/t16-,20+,21+/m1/s1
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n/an/a 0.140n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274694
PNG
(CHEMBL4129901)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1C=C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C27H35N5O5/c1-5-18-8-6-7-9-19(18)12-23(27(37)30-14-24(29)34)32-25(35)17(4)31-26(36)22(28)13-21-15(2)10-20(33)11-16(21)3/h5-11,17,22-23,33H,1,12-14,28H2,2-4H3,(H2,29,34)(H,30,37)(H,31,36)(H,32,35)/t17-,22+,23+/m1/s1
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n/an/a 0.25n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50245894
PNG
(CHEMBL461313 | N-{[(1R,9S,10S,13R)-17-(cyclopropyl...)
Show SMILES Oc1ccc2C[C@@H]3N(CC4CC4)CC[C@@]4(C[C@@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1 |r,TLB:8:7:29:5.31.4|
Show InChI InChI=1S/C28H32N2O3/c31-22-9-8-21-14-24-28-11-10-26(33-28,18-29-25(32)20-4-2-1-3-5-20)17-27(28,23(21)15-22)12-13-30(24)16-19-6-7-19/h1-5,8-9,15,19,24,31H,6-7,10-14,16-18H2,(H,29,32)/t24-,26+,27+,28+/m0/s1
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n/an/a 0.288n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain without cerebellum


Bioorg Med Chem Lett 18: 6398-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.081
BindingDB Entry DOI: 10.7270/Q2DN45Z1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50279649
PNG
(CHEMBL4165323)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2c(CN(CC(N)=O)C1=O)ccc1ccccc21 |r|
Show InChI InChI=1S/C33H42N8O5/c1-18-12-22(42)13-19(2)24(18)14-26(34)30(44)39-27(8-5-11-38-33(36)37)31(45)40-28-15-25-21(16-41(32(28)46)17-29(35)43)10-9-20-6-3-4-7-23(20)25/h3-4,6-7,9-10,12-13,26-28,42H,5,8,11,14-17,34H2,1-2H3,(H2,35,43)(H,39,44)(H,40,45)(H4,36,37,38)/t26-,27+,28-/m0/s1
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n/an/a 0.330n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse FLAG-tagged Mu-type opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting analys...


ACS Med Chem Lett 8: 1177-1182 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00347
BindingDB Entry DOI: 10.7270/Q2251MRN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50001468
PNG
((S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phen...)
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)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
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MCE
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n/an/a 0.340n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Tested for inhibition of amplification of electrically induced twitch in mouse vas deferens (MVD)


J Med Chem 36: 3748-56 (1994)


BindingDB Entry DOI: 10.7270/Q2D799HM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274741
PNG
(CHEMBL4126470)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C31H37N5O5/c1-18-13-23(37)14-19(2)25(18)16-26(32)30(40)35-20(3)29(39)36-27(31(41)34-17-28(33)38)15-22-11-7-8-12-24(22)21-9-5-4-6-10-21/h4-14,20,26-27,37H,15-17,32H2,1-3H3,(H2,33,38)(H,34,41)(H,35,40)(H,36,39)/t20-,26+,27+/m1/s1
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n/an/a 0.350n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274695
PNG
(CHEMBL4127702)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C28H39ClN8O5/c1-15-10-19(38)11-16(2)20(15)13-21(30)25(40)36-22(4-3-9-34-28(32)33)27(42)37-23(26(41)35-14-24(31)39)12-17-5-7-18(29)8-6-17/h5-8,10-11,21-23,38H,3-4,9,12-14,30H2,1-2H3,(H2,31,39)(H,35,41)(H,36,40)(H,37,42)(H4,32,33,34)/t21-,22+,23-/m0/s1
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n/an/a 0.350n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50279648
PNG
(CHEMBL4166388)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2c(CN(CC(N)=O)C1=O)ccc1ccccc21 |r|
Show InChI InChI=1S/C31H37N5O5/c1-17-11-22(37)12-18(2)24(17)13-26(32)30(40)35(4)19(3)29(39)34-27-14-25-21(15-36(31(27)41)16-28(33)38)10-9-20-7-5-6-8-23(20)25/h5-12,19,26-27,37H,13-16,32H2,1-4H3,(H2,33,38)(H,34,39)/t19-,26+,27+/m1/s1
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n/an/a 0.350n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of hog kidney renin


ACS Med Chem Lett 8: 1177-1182 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00347
BindingDB Entry DOI: 10.7270/Q2251MRN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274679
PNG
(CHEMBL4128530)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N(C)[C@@H](Cc1ccccc1C=C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C28H37N5O5/c1-6-19-9-7-8-10-20(19)13-24(27(37)31-15-25(30)35)33(5)28(38)18(4)32-26(36)23(29)14-22-16(2)11-21(34)12-17(22)3/h6-12,18,23-24,34H,1,13-15,29H2,2-5H3,(H2,30,35)(H,31,37)(H,32,36)/t18-,23+,24+/m1/s1
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n/an/a 0.360n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50279643
PNG
(CHEMBL4173234)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2c(CN(CC(N)=O)C1=O)ccc1ccccc21 |r|
Show InChI InChI=1S/C30H35N5O5/c1-16-10-21(36)11-17(2)23(16)12-25(31)29(39)33-18(3)28(38)34-26-13-24-20(14-35(30(26)40)15-27(32)37)9-8-19-6-4-5-7-22(19)24/h4-11,18,25-26,36H,12-15,31H2,1-3H3,(H2,32,37)(H,33,39)(H,34,38)/t18-,25+,26+/m1/s1
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n/an/a 0.390n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse FLAG-tagged Mu-type opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting analys...


ACS Med Chem Lett 8: 1177-1182 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00347
BindingDB Entry DOI: 10.7270/Q2251MRN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50430801
PNG
(CHEMBL2334776)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC[C@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C37H42N6O5/c1-21-15-27(44)16-22(2)29(21)18-30(38)37(48)43-14-13-25(20-43)35(46)41-32(17-26-19-40-31-12-8-7-11-28(26)31)36(47)42-33(23(3)34(39)45)24-9-5-4-6-10-24/h4-12,15-16,19,25,30,32-33,40,44H,3,13-14,17-18,20,38H2,1-2H3,(H2,39,45)(H,41,46)(H,42,47)/t25-,30+,32+,33-/m1/s1
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n/an/a 0.406n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at mu-type opioid receptor in Kunming mouse vas deferens assessed as inhibition of electrically evoked muscle contraction


J Med Chem 56: 3102-14 (2013)


Article DOI: 10.1021/jm400195y
BindingDB Entry DOI: 10.7270/Q2KS6SW8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50001462
PNG
(3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(Cc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H52N8O10/c1-19(2)30(35(54)41-18-28(40)48)45-36(55)31(20(3)4)44-34(53)27(15-29(49)50)43-37(56)38(16-23-8-6-7-9-24(23)17-38)46-32(51)21(5)42-33(52)26(39)14-22-10-12-25(47)13-11-22/h6-13,19-21,26-27,30-31,47H,14-18,39H2,1-5H3,(H2,40,48)(H,41,54)(H,42,52)(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,49,50)/t21-,26+,27+,30+,31+/m1/s1
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n/an/a 0.410n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Tested for inhibition of amplification of electrically induced twitch in mouse vas deferens (MVD)


J Med Chem 36: 3748-56 (1994)


BindingDB Entry DOI: 10.7270/Q2D799HM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50001459
PNG
(3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H54N8O10/c1-20(2)31(36(55)42-19-29(41)49)46-37(56)32(21(3)4)45-35(54)28(17-30(50)51)44-38(57)39(15-14-24-8-6-7-9-25(24)18-39)47-33(52)22(5)43-34(53)27(40)16-23-10-12-26(48)13-11-23/h6-13,20-22,27-28,31-32,48H,14-19,40H2,1-5H3,(H2,41,49)(H,42,55)(H,43,53)(H,44,57)(H,45,54)(H,46,56)(H,47,52)(H,50,51)/t22-,27+,28+,31+,32+,39?/m1/s1
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n/an/a 0.460n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Tested for inhibition of amplification of electrically induced twitch in mouse vas deferens (MVD)


J Med Chem 36: 3748-56 (1994)


BindingDB Entry DOI: 10.7270/Q2D799HM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50001459
PNG
(3-[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylam...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C39H54N8O10/c1-20(2)31(36(55)42-19-29(41)49)46-37(56)32(21(3)4)45-35(54)28(17-30(50)51)44-38(57)39(15-14-24-8-6-7-9-25(24)18-39)47-33(52)22(5)43-34(53)27(40)16-23-10-12-26(48)13-11-23/h6-13,20-22,27-28,31-32,48H,14-19,40H2,1-5H3,(H2,41,49)(H,42,55)(H,43,53)(H,44,57)(H,45,54)(H,46,56)(H,47,52)(H,50,51)/t22-,27+,28+,31+,32+,39?/m1/s1
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n/an/a 0.460n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Tested for inhibition of amplification of electrically induced twitch in mouse vas deferens (MVD)


J Med Chem 36: 3748-56 (1994)


BindingDB Entry DOI: 10.7270/Q2D799HM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274693
PNG
(CHEMBL4126249)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cccc(C=C)c1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C30H42N8O5/c1-4-19-7-5-8-20(13-19)14-25(28(42)36-16-26(32)40)38-29(43)24(9-6-10-35-30(33)34)37-27(41)23(31)15-22-17(2)11-21(39)12-18(22)3/h4-5,7-8,11-13,23-25,39H,1,6,9-10,14-16,31H2,2-3H3,(H2,32,40)(H,36,42)(H,37,41)(H,38,43)(H4,33,34,35)/t23-,24+,25-/m0/s1
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n/an/a 0.460n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274739
PNG
(CHEMBL4127485)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(N)=O)cc1 |r|
Show InChI InChI=1S/C29H42N8O6/c1-16-11-19(38)12-17(2)21(16)14-22(30)26(40)36-23(5-4-10-34-29(32)33)28(42)37-24(27(41)35-15-25(31)39)13-18-6-8-20(43-3)9-7-18/h6-9,11-12,22-24,38H,4-5,10,13-15,30H2,1-3H3,(H2,31,39)(H,35,41)(H,36,40)(H,37,42)(H4,32,33,34)/t22-,23+,24-/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274732
PNG
(CHEMBL4127547)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C28H39FN8O5/c1-15-10-19(38)11-16(2)20(15)13-21(30)25(40)36-22(4-3-9-34-28(32)33)27(42)37-23(26(41)35-14-24(31)39)12-17-5-7-18(29)8-6-17/h5-8,10-11,21-23,38H,3-4,9,12-14,30H2,1-2H3,(H2,31,39)(H,35,41)(H,36,40)(H,37,42)(H4,32,33,34)/t21-,22+,23-/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274696
PNG
(CHEMBL4126102)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1C=C)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C30H42N8O5/c1-4-19-8-5-6-9-20(19)14-25(28(42)36-16-26(32)40)38-29(43)24(10-7-11-35-30(33)34)37-27(41)23(31)15-22-17(2)12-21(39)13-18(22)3/h4-6,8-9,12-13,23-25,39H,1,7,10-11,14-16,31H2,2-3H3,(H2,32,40)(H,36,42)(H,37,41)(H,38,43)(H4,33,34,35)/t23-,24+,25-/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50430800
PNG
(CHEMBL2334773)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(O)=O)c1ccco1 |r|
Show InChI InChI=1S/C35H39N5O7/c1-19-14-23(41)15-20(2)25(19)17-26(36)34(44)40-12-6-10-29(40)33(43)38-28(16-22-18-37-27-9-5-4-8-24(22)27)32(42)39-31(21(3)35(45)46)30-11-7-13-47-30/h4-5,7-9,11,13-15,18,26,28-29,31,37,41H,3,6,10,12,16-17,36H2,1-2H3,(H,38,43)(H,39,42)(H,45,46)/t26-,28-,29-,31+/m0/s1
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n/an/a 0.533n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at mu-type opioid receptor in Kunming mouse vas deferens assessed as inhibition of electrically evoked muscle contraction


J Med Chem 56: 3102-14 (2013)


Article DOI: 10.1021/jm400195y
BindingDB Entry DOI: 10.7270/Q2KS6SW8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274733
PNG
(CHEMBL4127080)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C34H44N8O5/c1-20-15-24(43)16-21(2)26(20)18-27(35)31(45)41-28(13-8-14-39-34(37)38)33(47)42-29(32(46)40-19-30(36)44)17-23-11-6-7-12-25(23)22-9-4-3-5-10-22/h3-7,9-12,15-16,27-29,43H,8,13-14,17-19,35H2,1-2H3,(H2,36,44)(H,40,46)(H,41,45)(H,42,47)(H4,37,38,39)/t27-,28+,29-/m0/s1
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n/an/a 0.540n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50430798
PNG
(CHEMBL2335120)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC[C@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C35H40N6O6/c1-19-13-24(42)14-20(2)26(19)16-27(36)35(46)41-11-10-22(18-41)33(44)39-29(15-23-17-38-28-8-5-4-7-25(23)28)34(45)40-31(21(3)32(37)43)30-9-6-12-47-30/h4-9,12-14,17,22,27,29,31,38,42H,3,10-11,15-16,18,36H2,1-2H3,(H2,37,43)(H,39,44)(H,40,45)/t22-,27+,29+,31-/m1/s1
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n/an/a 0.548n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at mu-type opioid receptor in Kunming mouse vas deferens assessed as inhibition of electrically evoked muscle contraction


J Med Chem 56: 3102-14 (2013)


Article DOI: 10.1021/jm400195y
BindingDB Entry DOI: 10.7270/Q2KS6SW8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50430799
PNG
(CHEMBL2334772)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C37H41N5O6/c1-21-16-26(43)17-22(2)28(21)19-29(38)36(46)42-15-9-14-32(42)35(45)40-31(18-25-20-39-30-13-8-7-12-27(25)30)34(44)41-33(23(3)37(47)48)24-10-5-4-6-11-24/h4-8,10-13,16-17,20,29,31-33,39,43H,3,9,14-15,18-19,38H2,1-2H3,(H,40,45)(H,41,44)(H,47,48)/t29-,31-,32-,33+/m0/s1
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n/an/a 0.556n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at mu-type opioid receptor in Kunming mouse vas deferens assessed as inhibition of electrically evoked muscle contraction


J Med Chem 56: 3102-14 (2013)


Article DOI: 10.1021/jm400195y
BindingDB Entry DOI: 10.7270/Q2KS6SW8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274731
PNG
(CHEMBL4126322)
Show SMILES [#6]\[#6](-[#6])=[#6]\c1ccccc1-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1c(-[#6])cc(-[#8])cc1-[#6])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C32H46N8O5/c1-18(2)12-21-8-5-6-9-22(21)15-27(30(44)38-17-28(34)42)40-31(45)26(10-7-11-37-32(35)36)39-29(43)25(33)16-24-19(3)13-23(41)14-20(24)4/h5-6,8-9,12-14,25-27,41H,7,10-11,15-17,33H2,1-4H3,(H2,34,42)(H,38,44)(H,39,43)(H,40,45)(H4,35,36,37)/t25-,26+,27-/m0/s1
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n/an/a 0.570n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50279645
PNG
(CHEMBL4164236)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccc(Br)cc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C29H39BrN8O5/c1-15-8-20(39)9-16(2)21(15)12-22(31)26(41)36-23(4-3-7-35-29(33)34)27(42)37-24-11-17-5-6-19(30)10-18(17)13-38(28(24)43)14-25(32)40/h5-6,8-10,22-24,39H,3-4,7,11-14,31H2,1-2H3,(H2,32,40)(H,36,41)(H,37,42)(H4,33,34,35)/t22-,23+,24-/m0/s1
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n/an/a 0.760n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse FLAG-tagged Mu-type opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting analys...


ACS Med Chem Lett 8: 1177-1182 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00347
BindingDB Entry DOI: 10.7270/Q2251MRN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50059841
PNG
((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1
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n/an/a 0.760n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01915
BindingDB Entry DOI: 10.7270/Q22B931S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274710
PNG
(CHEMBL4127226)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cccc(c1)-c1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C34H44N8O5/c1-20-14-25(43)15-21(2)26(20)18-27(35)31(45)41-28(12-7-13-39-34(37)38)33(47)42-29(32(46)40-19-30(36)44)17-22-8-6-11-24(16-22)23-9-4-3-5-10-23/h3-6,8-11,14-16,27-29,43H,7,12-13,17-19,35H2,1-2H3,(H2,36,44)(H,40,46)(H,41,45)(H,42,47)(H4,37,38,39)/t27-,28+,29-/m0/s1
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n/an/a 0.850n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50430802
PNG
(CHEMBL2334775)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC[C@@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C35H40N6O6/c1-19-13-24(42)14-20(2)26(19)16-27(36)35(46)41-11-10-22(18-41)33(44)39-29(15-23-17-38-28-8-5-4-7-25(23)28)34(45)40-31(21(3)32(37)43)30-9-6-12-47-30/h4-9,12-14,17,22,27,29,31,38,42H,3,10-11,15-16,18,36H2,1-2H3,(H2,37,43)(H,39,44)(H,40,45)/t22-,27-,29-,31+/m0/s1
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n/an/a 0.962n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at mu-type opioid receptor in Kunming mouse vas deferens assessed as inhibition of electrically evoked muscle contraction


J Med Chem 56: 3102-14 (2013)


Article DOI: 10.1021/jm400195y
BindingDB Entry DOI: 10.7270/Q2KS6SW8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274738
PNG
(CHEMBL4128313)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cccc(c1)-c1ccsc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C32H42N8O5S/c1-18-11-23(41)12-19(2)24(18)15-25(33)29(43)39-26(7-4-9-37-32(35)36)31(45)40-27(30(44)38-16-28(34)42)14-20-5-3-6-21(13-20)22-8-10-46-17-22/h3,5-6,8,10-13,17,25-27,41H,4,7,9,14-16,33H2,1-2H3,(H2,34,42)(H,38,44)(H,39,43)(H,40,45)(H4,35,36,37)/t25-,26+,27-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50261457
PNG
(17-(Cyclopropylmethyl)-4,6alpha-epoxymethanomorphi...)
Show SMILES Oc1ccc2C[C@@H]3N(CC4CC4)CC[C@]45C[C@H](CC[C@]34O)COc1c25 |r,TLB:8:7:4.24.5:19|
Show InChI InChI=1S/C21H27NO3/c23-16-4-3-15-9-17-21(24)6-5-14-10-20(21,18(15)19(16)25-12-14)7-8-22(17)11-13-1-2-13/h3-4,13-14,17,23-24H,1-2,5-12H2/t14-,17-,20+,21-/m0/s1
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n/an/a 1.21n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in ICR mouse whole brain


Bioorg Med Chem 16: 4304-12 (2008)


Article DOI: 10.1016/j.bmc.2008.02.082
BindingDB Entry DOI: 10.7270/Q2N017D5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/a 1.27n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in ICR mouse whole brain


Bioorg Med Chem 16: 4304-12 (2008)


Article DOI: 10.1016/j.bmc.2008.02.082
BindingDB Entry DOI: 10.7270/Q2N017D5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mu-type opioid receptor


(MOUSE)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain without cerebellum


Bioorg Med Chem Lett 18: 6398-401 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.081
BindingDB Entry DOI: 10.7270/Q2DN45Z1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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/a 1.40n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50430803
PNG
(CHEMBL2334774)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC[C@@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C37H42N6O5/c1-21-15-27(44)16-22(2)29(21)18-30(38)37(48)43-14-13-25(20-43)35(46)41-32(17-26-19-40-31-12-8-7-11-28(26)31)36(47)42-33(23(3)34(39)45)24-9-5-4-6-10-24/h4-12,15-16,19,25,30,32-33,40,44H,3,13-14,17-18,20,38H2,1-2H3,(H2,39,45)(H,41,46)(H,42,47)/t25-,30-,32-,33+/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at mu-type opioid receptor in Kunming mouse vas deferens assessed as inhibition of electrically evoked muscle contraction


J Med Chem 56: 3102-14 (2013)


Article DOI: 10.1021/jm400195y
BindingDB Entry DOI: 10.7270/Q2KS6SW8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274697
PNG
(CHEMBL4129689)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1-c1ccsc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C32H42N8O5S/c1-18-12-22(41)13-19(2)24(18)15-25(33)29(43)39-26(8-5-10-37-32(35)36)31(45)40-27(30(44)38-16-28(34)42)14-20-6-3-4-7-23(20)21-9-11-46-17-21/h3-4,6-7,9,11-13,17,25-27,41H,5,8,10,14-16,33H2,1-2H3,(H2,34,42)(H,38,44)(H,39,43)(H,40,45)(H4,35,36,37)/t25-,26+,27-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50279642
PNG
(CHEMBL4174890)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2N(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C28H38N8O5/c1-15-10-18(37)11-16(2)19(15)13-20(29)25(39)34-21(7-5-9-33-28(31)32)26(40)35-22-12-17-6-3-4-8-23(17)36(27(22)41)14-24(30)38/h3-4,6,8,10-11,20-22,37H,5,7,9,12-14,29H2,1-2H3,(H2,30,38)(H,34,39)(H,35,40)(H4,31,32,33)/t20-,21+,22-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse FLAG-tagged Mu-type opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting analys...


ACS Med Chem Lett 8: 1177-1182 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00347
BindingDB Entry DOI: 10.7270/Q2251MRN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274687
PNG
(CHEMBL4129548)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(C=C)cc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C30H42N8O5/c1-4-19-7-9-20(10-8-19)14-25(28(42)36-16-26(32)40)38-29(43)24(6-5-11-35-30(33)34)37-27(41)23(31)15-22-17(2)12-21(39)13-18(22)3/h4,7-10,12-13,23-25,39H,1,5-6,11,14-16,31H2,2-3H3,(H2,32,40)(H,36,42)(H,37,41)(H,38,43)(H4,33,34,35)/t23-,24+,25-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50279647
PNG
(CHEMBL4169811)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccc3ccccc3c2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C30H35N5O5/c1-16-10-21(36)11-17(2)23(16)13-25(31)29(39)33-18(3)28(38)34-26-12-20-9-8-19-6-4-5-7-22(19)24(20)14-35(30(26)40)15-27(32)37/h4-11,18,25-26,36H,12-15,31H2,1-3H3,(H2,32,37)(H,33,39)(H,34,38)/t18-,25+,26+/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse FLAG-tagged Mu-type opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting analys...


ACS Med Chem Lett 8: 1177-1182 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00347
BindingDB Entry DOI: 10.7270/Q2251MRN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50279644
PNG
(CHEMBL4161890)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccc3ccccc3c2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C33H42N8O5/c1-18-12-22(42)13-19(2)24(18)15-26(34)30(44)39-27(8-5-11-38-33(36)37)31(45)40-28-14-21-10-9-20-6-3-4-7-23(20)25(21)16-41(32(28)46)17-29(35)43/h3-4,6-7,9-10,12-13,26-28,42H,5,8,11,14-17,34H2,1-2H3,(H2,35,43)(H,39,44)(H,40,45)(H4,36,37,38)/t26-,27+,28-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse FLAG-tagged Mu-type opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting analys...


ACS Med Chem Lett 8: 1177-1182 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00347
BindingDB Entry DOI: 10.7270/Q2251MRN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50430807
PNG
(CHEMBL2334770)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C35H38N6O5/c1-21(32(37)43)31(23-7-3-2-4-8-23)40-34(45)30(18-25-19-38-29-10-6-5-9-27(25)29)39-33(44)24-15-16-41(20-24)35(46)28(36)17-22-11-13-26(42)14-12-22/h2-14,19,24,28,30-31,38,42H,1,15-18,20,36H2,(H2,37,43)(H,39,44)(H,40,45)/t24-,28+,30+,31-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at mu-type opioid receptor in Kunming mouse vas deferens assessed as inhibition of electrically evoked muscle contraction


J Med Chem 56: 3102-14 (2013)


Article DOI: 10.1021/jm400195y
BindingDB Entry DOI: 10.7270/Q2KS6SW8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50430806
PNG
(CHEMBL2334771)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C33H36N6O6/c1-19(30(35)41)29(28-7-4-14-45-28)38-32(43)27(16-22-17-36-26-6-3-2-5-24(22)26)37-31(42)21-12-13-39(18-21)33(44)25(34)15-20-8-10-23(40)11-9-20/h2-11,14,17,21,25,27,29,36,40H,1,12-13,15-16,18,34H2,(H2,35,41)(H,37,42)(H,38,43)/t21-,25+,27+,29-/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at mu-type opioid receptor in Kunming mouse vas deferens assessed as inhibition of electrically evoked muscle contraction


J Med Chem 56: 3102-14 (2013)


Article DOI: 10.1021/jm400195y
BindingDB Entry DOI: 10.7270/Q2KS6SW8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50430804
PNG
(CHEMBL2334769)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C33H36N6O6/c1-19(30(35)41)29(28-7-4-14-45-28)38-32(43)27(16-22-17-36-26-6-3-2-5-24(22)26)37-31(42)21-12-13-39(18-21)33(44)25(34)15-20-8-10-23(40)11-9-20/h2-11,14,17,21,25,27,29,36,40H,1,12-13,15-16,18,34H2,(H2,35,41)(H,37,42)(H,38,43)/t21-,25-,27-,29+/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at mu-type opioid receptor in Kunming mouse vas deferens assessed as inhibition of electrically evoked muscle contraction


J Med Chem 56: 3102-14 (2013)


Article DOI: 10.1021/jm400195y
BindingDB Entry DOI: 10.7270/Q2KS6SW8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50430805
PNG
(CHEMBL2334768)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C35H38N6O5/c1-21(32(37)43)31(23-7-3-2-4-8-23)40-34(45)30(18-25-19-38-29-10-6-5-9-27(25)29)39-33(44)24-15-16-41(20-24)35(46)28(36)17-22-11-13-26(42)14-12-22/h2-14,19,24,28,30-31,38,42H,1,15-18,20,36H2,(H2,37,43)(H,39,44)(H,40,45)/t24-,28-,30-,31+/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at mu-type opioid receptor in Kunming mouse vas deferens assessed as inhibition of electrically evoked muscle contraction


J Med Chem 56: 3102-14 (2013)


Article DOI: 10.1021/jm400195y
BindingDB Entry DOI: 10.7270/Q2KS6SW8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274740
PNG
(CHEMBL4128463)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccsc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C32H42N8O5S/c1-18-12-23(41)13-19(2)24(18)15-25(33)29(43)39-26(4-3-10-37-32(35)36)31(45)40-27(30(44)38-16-28(34)42)14-20-5-7-21(8-6-20)22-9-11-46-17-22/h5-9,11-13,17,25-27,41H,3-4,10,14-16,33H2,1-2H3,(H2,34,42)(H,38,44)(H,39,43)(H,40,45)(H4,35,36,37)/t25-,26+,27-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
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/a 6.30n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at mouse HA-tagged mu opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production preincub...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c01036
BindingDB Entry DOI: 10.7270/Q2057KP0
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/a 6.60n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at mouse MOR expressed in CHO cells assessed as inhibition of DAMGO-induced calcium mobilization preincubated for 60 mins measure...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00408
BindingDB Entry DOI: 10.7270/Q2R49VPJ
More data for this
Ligand-Target Pair
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/a 6.60n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at mouse HA-tagged mu opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production preincub...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c01036
BindingDB Entry DOI: 10.7270/Q2057KP0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50274730
PNG
(CHEMBL4125848)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C34H44N8O5/c1-20-15-25(43)16-21(2)26(20)18-27(35)31(45)41-28(9-6-14-39-34(37)38)33(47)42-29(32(46)40-19-30(36)44)17-22-10-12-24(13-11-22)23-7-4-3-5-8-23/h3-5,7-8,10-13,15-16,27-29,43H,6,9,14,17-19,35H2,1-2H3,(H2,36,44)(H,40,46)(H,41,45)(H,42,47)(H4,37,38,39)/t27-,28+,29-/m0/s1
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n/an/a 7.10n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting


Bioorg Med Chem Lett 28: 2320-2323 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.015
BindingDB Entry DOI: 10.7270/Q2KW5JJJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50027791
PNG
(6,11-Dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,...)
Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc1ccccc1 |TLB:16:15:1:4.10.3,9:10:1:15.14.13|
Show InChI InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to induce 50% of maximal effect in mouse vas deferens expressing Opioid receptor delta 1


J Med Chem 26: 1643-5 (1983)


BindingDB Entry DOI: 10.7270/Q2N015J4
More data for this
Ligand-Target Pair
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