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Compile Data Set for Download or QSAR

Found 20706 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor'   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86253
PNG
(CAS_100929-53-1 | DAMGO | NSC_104742 | US10836728,...)
Show SMILES CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)C(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)
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US Patent
n/an/an/an/a 0n/an/an/an/a



Mebias Discovery, Inc.

US Patent


Assay Description
G-protein signaling was measured via second messenger cAMP modulation. Detection of cAMP modulation was accomplished in the PathHunter human OPRM1 (&...


US Patent US10836728 (2020)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
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
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/an/an/a 0.0000420n/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation c...


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


(Homo sapiens (Human))
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
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/an/an/a 0.0000910n/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAM...


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


(Homo sapiens (Human))
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
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/an/an/a 0.000107n/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAM...


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


(Homo sapiens (Human))
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
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/an/an/a 0.000109n/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAM...


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


(Homo sapiens (Human))
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
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/an/an/a 0.000130n/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAM...


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


(Homo sapiens (Human))
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
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/an/an/a 0.000516n/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAM...


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


(Homo sapiens (Human))
BDBM50095155
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1
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n/an/an/an/a 0.00100n/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Activity at mu opioid receptor assessed as increase in calcium level in CHO cells by aequorin luminescence based calcium assay


J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
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 0.00174n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in HEK293 cell membrane assessed as inhibition of forskolin-induced cAMP accumulation by by liquid scintillat...


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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50528965
PNG
(CHEMBL4550234)
Show SMILES C[C@@H](N(C)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C(=C)C(N)=O)c1ccco1
Show InChI InChI=1S/C32H39N5O6/c1-18-14-23(38)15-19(2)24(18)17-25(33)32(42)37(5)21(4)30(40)35-26(16-22-10-7-6-8-11-22)31(41)36-28(20(3)29(34)39)27-12-9-13-43-27/h6-15,21,25-26,28,38H,3,16-17,33H2,1-2,4-5H3,(H2,34,39)(H,35,40)(H,36,41)/t21-,25?,26+,28?/m1/s1
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n/an/an/an/a 0.00177n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation counting


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111701
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50528960
PNG
(CHEMBL4450250)
Show SMILES C[C@@H](N(C)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C(=C)C(N)=O)c1ccccc1
Show InChI InChI=1S/C36H42N6O5/c1-20-15-26(43)16-21(2)28(20)18-29(37)36(47)42(5)23(4)34(45)40-31(17-25-19-39-30-14-10-9-13-27(25)30)35(46)41-32(22(3)33(38)44)24-11-7-6-8-12-24/h6-16,19,23,29,31-32,39,43H,3,17-18,37H2,1-2,4-5H3,(H2,38,44)(H,40,45)(H,41,46)/t23-,29?,31+,32?/m1/s1
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n/an/an/an/a 0.00177n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation counting


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111701
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50528966
PNG
(CHEMBL4521879)
Show SMILES C[C@@H](N(C)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C(=C)C(N)=O)c1ccccc1
Show InChI InChI=1S/C34H41N5O5/c1-20-16-26(40)17-21(2)27(20)19-28(35)34(44)39(5)23(4)32(42)37-29(18-24-12-8-6-9-13-24)33(43)38-30(22(3)31(36)41)25-14-10-7-11-15-25/h6-17,23,28-30,40H,3,18-19,35H2,1-2,4-5H3,(H2,36,41)(H,37,42)(H,38,43)/t23-,28?,29+,30?/m1/s1
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n/an/an/an/a 0.00177n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation counting


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111701
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50528967
PNG
(CHEMBL4439415)
Show SMILES C[C@@H](N(C)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C(=C)C(N)=O)c1ccco1
Show InChI InChI=1S/C34H40N6O6/c1-18-13-23(41)14-19(2)25(18)16-26(35)34(45)40(5)21(4)32(43)38-28(15-22-17-37-27-10-7-6-9-24(22)27)33(44)39-30(20(3)31(36)42)29-11-8-12-46-29/h6-14,17,21,26,28,30,37,41H,3,15-16,35H2,1-2,4-5H3,(H2,36,42)(H,38,43)(H,39,44)/t21-,26?,28+,30?/m1/s1
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n/an/an/an/a 0.00177n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation counting


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111701
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50529413
PNG
(CHEMBL4563672)
Show SMILES CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccccc2O)CC1)C(=O)OC
Show InChI InChI=1S/C24H30N2O4/c1-3-22(28)26(20-10-5-4-6-11-20)24(23(29)30-2)14-17-25(18-15-24)16-13-19-9-7-8-12-21(19)27/h4-12,27H,3,13-18H2,1-2H3
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n/an/an/an/a 0.00240n/an/an/an/a



United States Army CCDC Chemical Biological Center

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in CHO-K1 cells assessed as cAMP accumulation incubated for 30 mins and measured after 1 hr by Eu-cAMP tracer...


ACS Med Chem Lett 10: 1568-1572 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00404
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
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
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/an/an/a 0.00300n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Tested for thromboxane antagonist potency (pA2) against U 44619 induced platelet aggregation using human platelet rich plasma


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


(Homo sapiens (Human))
BDBM50012477
PNG
(1-Phenethyl-4-(phenyl-propionyl-amino)-piperidine-...)
Show SMILES CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccccc2)CC1)C(=O)OC
Show InChI InChI=1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3
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n/an/an/an/a 0.00490n/an/an/an/a



United States Army CCDC Chemical Biological Center

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in CHO-K1 cells assessed as cAMP accumulation incubated for 30 mins and measured after 1 hr by Eu-cAMP tracer...


ACS Med Chem Lett 10: 1568-1572 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00404
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50529410
PNG
(CHEMBL4463749)
Show SMILES CCC(=O)N(c1ccccc1)C1(CCN(CC(O)c2ccccc2)CC1)C(=O)OC
Show InChI InChI=1S/C24H30N2O4/c1-3-22(28)26(20-12-8-5-9-13-20)24(23(29)30-2)14-16-25(17-15-24)18-21(27)19-10-6-4-7-11-19/h4-13,21,27H,3,14-18H2,1-2H3
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n/an/an/an/a 0.00510n/an/an/an/a



United States Army CCDC Chemical Biological Center

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in CHO-K1 cells assessed as cAMP accumulation incubated for 30 mins and measured after 1 hr by Eu-cAMP tracer...


ACS Med Chem Lett 10: 1568-1572 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00404
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
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
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/an/an/a 0.00600n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at rat mu-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-ind...


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


(Rattus norvegicus (rat))
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
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/an/an/a 0.00800n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at rat mu-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-ind...


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


(Homo sapiens (Human))
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
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/an/an/a 0.00853n/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAM...


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


(Rattus norvegicus (rat))
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
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/an/an/a 0.0120n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at rat mu-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-ind...


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


(Rattus norvegicus (rat))
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
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/an/an/a 0.0120n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at rat mu-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-ind...


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


(Homo sapiens (Human))
BDBM50529415
PNG
(CHEMBL4588535)
Show SMILES CCC(=O)N(c1ccccc1)C1(CCN(CCc2cccc(O)c2)CC1)C(=O)OC
Show InChI InChI=1S/C24H30N2O4/c1-3-22(28)26(20-9-5-4-6-10-20)24(23(29)30-2)13-16-25(17-14-24)15-12-19-8-7-11-21(27)18-19/h4-11,18,27H,3,12-17H2,1-2H3
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n/an/an/an/a 0.0140n/an/an/an/a



United States Army CCDC Chemical Biological Center

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in CHO-K1 cells assessed as cAMP accumulation incubated for 30 mins and measured after 1 hr by Eu-cAMP tracer...


ACS Med Chem Lett 10: 1568-1572 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00404
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50255899
PNG
(1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3S)-3...)
Show SMILES CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)[C@H]1CCCNC1
Show InChI InChI=1S/C26H40N4/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3/t21-/m0/s1
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n/an/an/an/a 0.0251n/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Agonist activity at human NOPR expressed in human BHK cells assessed as inhibition of forskolin-mediated cAMP accumulation after 10 mins by radioimmu...


J Med Chem 61: 9841-9878 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00435
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50529414
PNG
(CHEMBL4578287)
Show SMILES CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccc(O)cc2)CC1)C(=O)OC
Show InChI InChI=1S/C24H30N2O4/c1-3-22(28)26(20-7-5-4-6-8-20)24(23(29)30-2)14-17-25(18-15-24)16-13-19-9-11-21(27)12-10-19/h4-12,27H,3,13-18H2,1-2H3
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n/an/an/an/a 0.0280n/an/an/an/a



United States Army CCDC Chemical Biological Center

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in CHO-K1 cells assessed as cAMP accumulation incubated for 30 mins and measured after 1 hr by Eu-cAMP tracer...


ACS Med Chem Lett 10: 1568-1572 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00404
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50395060
PNG
(CHEMBL2163916)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1
Show InChI InChI=1S/C33H36N6O6/c1-19(30(35)41)29(28-9-5-15-45-28)38-31(42)26(17-21-18-36-25-7-3-2-6-23(21)25)37-32(43)27-8-4-14-39(27)33(44)24(34)16-20-10-12-22(40)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,36,40H,1,4,8,14,16-17,34H2,(H2,35,41)(H,37,43)(H,38,42)/t24-,26-,27-,29+/m0/s1
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n/an/an/an/a 0.0334n/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by liqui...


J Med Chem 55: 6224-36 (2012)


Article DOI: 10.1021/jm300664y
BindingDB Entry DOI: 10.7270/Q2T154S8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50395059
PNG
(CHEMBL2163917)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccoc1
Show InChI InChI=1S/C33H36N6O6/c1-19(30(35)41)29(21-12-14-45-18-21)38-31(42)27(16-22-17-36-26-6-3-2-5-24(22)26)37-32(43)28-7-4-13-39(28)33(44)25(34)15-20-8-10-23(40)11-9-20/h2-3,5-6,8-12,14,17-18,25,27-29,36,40H,1,4,7,13,15-16,34H2,(H2,35,41)(H,37,43)(H,38,42)/t25-,27-,28-,29+/m0/s1
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n/an/an/an/a 0.0342n/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by liqui...


J Med Chem 55: 6224-36 (2012)


Article DOI: 10.1021/jm300664y
BindingDB Entry DOI: 10.7270/Q2T154S8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
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
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/an/an/a 0.0397n/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAM...


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


(Homo sapiens (Human))
BDBM50027230
PNG
(CHEMBL2113666)
Show SMILES CN1CC[C@]23[C@H]4Oc5cccc(C[C@@H]1[C@@]2(CCC4=O)NC(=O)\C=C\c1ccccc1Cl)c35
Show InChI InChI=1S/C26H25ClN2O3/c1-29-14-13-25-23-17-6-4-8-20(23)32-24(25)19(30)11-12-26(25,21(29)15-17)28-22(31)10-9-16-5-2-3-7-18(16)27/h2-10,21,24H,11-15H2,1H3,(H,28,31)/b10-9+/t21-,24+,25+,26-/m1/s1
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n/an/an/an/a 0.0400n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTPgammaS binding to human recombinant MOR


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50193546
PNG
(14beta-(2'-methylcinnamoylamino)-7,8-dihydromorphi...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)\C=C\c1ccccc1C)ccc5O
Show InChI InChI=1S/C27H28N2O4/c1-16-5-3-4-6-17(16)8-10-22(32)28-27-12-11-20(31)25-26(27)13-14-29(2)21(27)15-18-7-9-19(30)24(33-25)23(18)26/h3-10,21,25,30H,11-15H2,1-2H3,(H,28,32)/b10-8+/t21?,25-,26-,27+/m0/s1
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n/an/an/an/a 0.0400n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTPgammaS binding to human recombinant MOR


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
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
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/an/an/a 0.0400n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at rat mu-opioid receptor expressed in HEK293 cells co-expressing Rluc2-EPAC-GFP10 biosenser assessed as inhibition of forskolin-ind...


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


(Homo sapiens (Human))
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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n/an/an/an/a 0.0400n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Antagonist activity at mu opioid receptor expressed in CHO cells assessed as release of intracellular calcium ions by aequorin luminescence-based cal...


Bioorg Med Chem Lett 18: 1350-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.009
BindingDB Entry DOI: 10.7270/Q2QR4WWN
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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n/an/an/an/a 0.0400n/an/an/an/a



Medical University

Curated by ChEMBL


Assay Description
Activity at mu opioid receptor assessed as increase in calcium level in CHO cells by aequorin luminescence based calcium assay


J Med Chem 50: 512-20 (2007)


Article DOI: 10.1021/jm060998u
BindingDB Entry DOI: 10.7270/Q28915JT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
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
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/an/an/a 0.0570n/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAM...


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


(Rattus norvegicus (rat))
BDBM50334990
PNG
((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1
Show InChI InChI=1S/C46H53ClN6O6/c1-4-43(56)53(35-12-6-5-7-13-35)36-18-20-51(21-19-36)46(59)40(24-31-14-16-34(47)17-15-31)50-42(55)27-49-44(57)41-25-32-10-8-9-11-33(32)28-52(41)45(58)39(48)26-38-29(2)22-37(54)23-30(38)3/h5-17,22-23,36,39-41,54H,4,18-21,24-28,48H2,1-3H3,(H,49,57)(H,50,55)/t39-,40-,41+/m0/s1
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n/an/an/an/a 0.0600n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 54: 382-6 (2011)


Article DOI: 10.1021/jm100982d
BindingDB Entry DOI: 10.7270/Q2N29XWF
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50121247
PNG
(CHEMBL414542 | F-G-G-F-T-G-Aib-R-K-S-A-R-K-L-A-N-Q...)
Show SMILES CC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C80H132N28O21/c1-7-49(98-63(115)40-95-78(129)64(45(6)110)108-76(127)56(36-47-22-12-9-13-23-47)99-62(114)39-93-61(113)38-94-68(119)48(83)35-46-20-10-8-11-21-46)69(120)102-54(27-19-33-92-80(89)90)71(122)104-52(25-15-17-31-82)73(124)107-58(41-109)77(128)97-43(4)66(117)101-53(26-18-32-91-79(87)88)70(121)103-51(24-14-16-30-81)72(123)106-55(34-42(2)3)74(125)96-44(5)67(118)105-57(37-60(85)112)75(126)100-50(65(86)116)28-29-59(84)111/h8-13,20-23,42-45,48-58,64,109-110H,7,14-19,24-41,81-83H2,1-6H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,93,113)(H,94,119)(H,95,129)(H,96,125)(H,97,128)(H,98,115)(H,99,114)(H,100,126)(H,101,117)(H,102,120)(H,103,121)(H,104,122)(H,105,118)(H,106,123)(H,107,124)(H,108,127)(H4,87,88,91)(H4,89,90,92)/t43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
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n/an/an/an/a 0.0600n/an/an/an/a



Purdue Pharma LP

Curated by ChEMBL


Assay Description
Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cells


J Med Chem 45: 5280-6 (2002)


Article DOI: 10.1021/jm0202021
BindingDB Entry DOI: 10.7270/Q2474BKJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50334990
PNG
((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1
Show InChI InChI=1S/C46H53ClN6O6/c1-4-43(56)53(35-12-6-5-7-13-35)36-18-20-51(21-19-36)46(59)40(24-31-14-16-34(47)17-15-31)50-42(55)27-49-44(57)41-25-32-10-8-9-11-33(32)28-52(41)45(58)39(48)26-38-29(2)22-37(54)23-30(38)3/h5-17,22-23,36,39-41,54H,4,18-21,24-28,48H2,1-3H3,(H,49,57)(H,50,55)/t39-,40-,41+/m0/s1
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n/an/an/an/a 0.0600n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Agonist activity at rat mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 54: 382-6 (2011)


Article DOI: 10.1021/jm100982d
BindingDB Entry DOI: 10.7270/Q2N29XWF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50127700
PNG
(CHEMBL3629337)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(=C)C(N)=O)c1cccs1
Show InChI InChI=1S/C33H36N6O5S/c1-19(30(35)41)29(28-9-5-15-45-28)38-31(42)26(17-21-18-36-25-7-3-2-6-23(21)25)37-32(43)27-8-4-14-39(27)33(44)24(34)16-20-10-12-22(40)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,36,40H,1,4,8,14,16-17,34H2,(H2,35,41)(H,37,43)(H,38,42)/t24-,26-,27-,29-/m0/s1
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n/an/an/an/a 0.0629n/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor (unknown origin) transfected in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production


Bioorg Med Chem Lett 25: 5393-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.025
BindingDB Entry DOI: 10.7270/Q24M96CW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM397187
PNG
(US9988392, Compound 7)
Show SMILES COC12CC[C@@]3(C[C@]1(C)COCc1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C32H39NO4/c1-29(20-36-18-22-6-4-3-5-7-22)19-30-12-13-32(29,35-2)28-31(30)14-15-33(17-21-8-9-21)25(30)16-23-10-11-24(34)27(37-28)26(23)31/h3-7,10-11,21,25,28,34H,8-9,12-20H2,1-2H3/t25-,28-,29-,30-,31+,32?/m1/s1
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n/an/an/an/a 0.0640n/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
μ-Opioid:Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.),...


US Patent US9988392 (2018)


BindingDB Entry DOI: 10.7270/Q28K7CF0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50127701
PNG
(CHEMBL3627737)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(=C)C(N)=O)c1ccsc1
Show InChI InChI=1S/C33H36N6O5S/c1-19(30(35)41)29(21-12-14-45-18-21)38-31(42)27(16-22-17-36-26-6-3-2-5-24(22)26)37-32(43)28-7-4-13-39(28)33(44)25(34)15-20-8-10-23(40)11-9-20/h2-3,5-6,8-12,14,17-18,25,27-29,36,40H,1,4,7,13,15-16,34H2,(H2,35,41)(H,37,43)(H,38,42)/t25-,27-,28-,29-/m0/s1
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n/an/an/an/a 0.0643n/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor (unknown origin) transfected in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production


Bioorg Med Chem Lett 25: 5393-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.025
BindingDB Entry DOI: 10.7270/Q24M96CW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475333
PNG
(CHEMBL264846)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C79H129FN28O21/c1-40(2)32-54(73(125)97-43(5)67(119)105-56(35-59(85)112)74(126)100-49(64(86)116)26-27-58(84)111)106-71(123)50(18-10-12-28-81)103-70(122)53(21-15-31-92-79(89)90)102-66(118)42(4)98-76(128)57(39-109)107-72(124)51(19-11-13-29-82)104-69(121)52(20-14-30-91-78(87)88)101-65(117)41(3)96-61(114)38-95-77(129)63(44(6)110)108-75(127)55(34-46-22-24-47(80)25-23-46)99-62(115)37-93-60(113)36-94-68(120)48(83)33-45-16-8-7-9-17-45/h7-9,16-17,22-25,40-44,48-57,63,109-110H,10-15,18-21,26-39,81-83H2,1-6H3,(H2,84,111)(H2,85,112)(H2,86,116)(H,93,113)(H,94,120)(H,95,129)(H,96,114)(H,97,125)(H,98,128)(H,99,115)(H,100,126)(H,101,117)(H,102,118)(H,103,122)(H,104,121)(H,105,119)(H,106,123)(H,107,124)(H,108,127)(H4,87,88,91)(H4,89,90,92)/t41-,42-,43-,44+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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n/an/an/an/a 0.0661n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP levels in CHO cell membranes expressing the human NOP receptor (CHOhNOP)


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475328
PNG
(CHEMBL414782)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN
Show InChI InChI=1S/C82H140FN35O21/c1-43(104-62(123)41-103-79(139)65(45(3)120)116-76(136)57(37-47-24-26-48(83)27-25-47)106-63(124)40-101-61(122)39-102-68(128)49(87)36-46-16-5-4-6-17-46)66(126)107-53(21-13-33-98-80(89)90)70(130)111-52(20-9-12-32-86)74(134)115-59(42-119)77(137)105-44(2)67(127)108-54(22-14-34-99-81(91)92)71(131)109-50(18-7-10-30-84)69(129)112-55(23-15-35-100-82(93)94)72(132)110-51(19-8-11-31-85)73(133)114-58(38-60(88)121)75(135)113-56(78(138)117-95)28-29-64(125)118(96)97/h4-6,16-17,24-27,43-45,49-59,65,119-120H,7-15,18-23,28-42,84-87,95-97H2,1-3H3,(H2,88,121)(H,101,122)(H,102,128)(H,103,139)(H,104,123)(H,105,137)(H,106,124)(H,107,126)(H,108,127)(H,109,131)(H,110,132)(H,111,130)(H,112,129)(H,113,135)(H,114,133)(H,115,134)(H,116,136)(H,117,138)(H4,89,90,98)(H4,91,92,99)(H4,93,94,100)/t43-,44-,45+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
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n/an/an/an/a 0.0676n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated cAMP levels in CHO cell membranes expressing the human NOP receptor (CHOhNOP)


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50249017
PNG
(14-O-phenylpropylnaltrexone | 4-cyclopropylmethyl-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1
Show InChI InChI=1S/C29H33NO4/c31-22-11-10-21-17-24-29(33-16-4-7-19-5-2-1-3-6-19)13-12-23(32)27-28(29,25(21)26(22)34-27)14-15-30(24)18-20-8-9-20/h1-3,5-6,10-11,20,24,27,31H,4,7-9,12-18H2/t24-,27+,28+,29-/m1/s1
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n/an/an/an/a 0.0750n/an/an/an/a



ALKERMES PHARMA IRELAND LIMITED

US Patent


Assay Description
The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...


US Patent US10231963 (2019)


BindingDB Entry DOI: 10.7270/Q2W66P26
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50249017
PNG
(14-O-phenylpropylnaltrexone | 4-cyclopropylmethyl-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1
Show InChI InChI=1S/C29H33NO4/c31-22-11-10-21-17-24-29(33-16-4-7-19-5-2-1-3-6-19)13-12-23(32)27-28(29,25(21)26(22)34-27)14-15-30(24)18-20-8-9-20/h1-3,5-6,10-11,20,24,27,31H,4,7-9,12-18H2/t24-,27+,28+,29-/m1/s1
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n/an/an/an/a 0.0750n/an/an/an/a



ALKERMES PHARMA IRELAND LIMITED

US Patent


Assay Description
The Ki (binding affinity) for opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal of ...


US Patent US9656961 (2017)


BindingDB Entry DOI: 10.7270/Q2PR7Z13
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50475328
PNG
(CHEMBL414782)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)N(N)N)C(=O)NN
Show InChI InChI=1S/C82H140FN35O21/c1-43(104-62(123)41-103-79(139)65(45(3)120)116-76(136)57(37-47-24-26-48(83)27-25-47)106-63(124)40-101-61(122)39-102-68(128)49(87)36-46-16-5-4-6-17-46)66(126)107-53(21-13-33-98-80(89)90)70(130)111-52(20-9-12-32-86)74(134)115-59(42-119)77(137)105-44(2)67(127)108-54(22-14-34-99-81(91)92)71(131)109-50(18-7-10-30-84)69(129)112-55(23-15-35-100-82(93)94)72(132)110-51(19-8-11-31-85)73(133)114-58(38-60(88)121)75(135)113-56(78(138)117-95)28-29-64(125)118(96)97/h4-6,16-17,24-27,43-45,49-59,65,119-120H,7-15,18-23,28-42,84-87,95-97H2,1-3H3,(H2,88,121)(H,101,122)(H,102,128)(H,103,139)(H,104,123)(H,105,137)(H,106,124)(H,107,126)(H,108,127)(H,109,131)(H,110,132)(H,111,130)(H,112,129)(H,113,135)(H,114,133)(H,115,134)(H,116,136)(H,117,138)(H4,89,90,98)(H4,91,92,99)(H4,93,94,100)/t43-,44-,45+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
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n/an/an/an/a 0.0759n/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist potency against GTPgammaS binding in CHO cell membranes expressing the human NOP receptor (CHOhNOP)


J Med Chem 48: 1421-7 (2005)


Article DOI: 10.1021/jm040106v
BindingDB Entry DOI: 10.7270/Q2J38WBW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
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 0.0790n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in HEK293 cell membrane assessed as inhibition of forskolin-induced cAMP accumulation by by liquid scintillat...


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
Nociceptin receptor


(Homo sapiens (Human))
BDBM21842
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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n/an/an/an/a 0.0800n/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for increase in [35S]GTP-gamma-S, binding for human ORL1 receptor carried out in CHO cell membranes ; Nd: no data


Bioorg Med Chem Lett 12: 3157-60 (2002)


Article DOI: 10.1016/s0960-894x(02)00652-2
BindingDB Entry DOI: 10.7270/Q2KK9C9R
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50121245
PNG
(CHEMBL266191 | F-G-G-F-T-G-Aib-R-K-S-Aib-R-K-L-A-N...)
Show SMILES CC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Show InChI InChI=1S/C81H134N28O21/c1-7-49(98-64(116)41-96-79(130)65(45(6)111)109-77(128)57(37-47-23-13-10-14-24-47)99-63(115)40-94-62(114)39-95-68(119)48(84)36-46-21-11-9-12-22-46)69(120)102-54(27-19-33-92-80(88)89)71(122)105-53(26-16-18-32-83)74(125)108-59(42-110)78(129)100-50(8-2)70(121)103-55(28-20-34-93-81(90)91)72(123)104-52(25-15-17-31-82)73(124)107-56(35-43(3)4)75(126)97-44(5)67(118)106-58(38-61(86)113)76(127)101-51(66(87)117)29-30-60(85)112/h9-14,21-24,43-45,48-59,65,110-111H,7-8,15-20,25-42,82-84H2,1-6H3,(H2,85,112)(H2,86,113)(H2,87,117)(H,94,114)(H,95,119)(H,96,130)(H,97,126)(H,98,116)(H,99,115)(H,100,129)(H,101,127)(H,102,120)(H,103,121)(H,104,123)(H,105,122)(H,106,118)(H,107,124)(H,108,125)(H,109,128)(H4,88,89,92)(H4,90,91,93)/t44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
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n/an/an/an/a 0.0800n/an/an/an/a



Purdue Pharma LP

Curated by ChEMBL


Assay Description
Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cells


J Med Chem 45: 5280-6 (2002)


Article DOI: 10.1021/jm0202021
BindingDB Entry DOI: 10.7270/Q2474BKJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50354650
PNG
(CHEMBL1834247)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O
Show InChI InChI=1S/C26H33N5O5/c1-14-8-19(32)9-15(2)20(14)11-21(27)25(35)29-16(3)24(34)30-22-10-17-6-4-5-7-18(17)12-31(26(22)36)13-23(28)33/h4-9,16,21-22,32H,10-13,27H2,1-3H3,(H2,28,33)(H,29,35)(H,30,34)/t16-,21+,22+/m1/s1
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n/an/an/an/a 0.0832n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in HEK293 cell membrane assessed as inhibition of forskolin-induced cAMP accumulation by by liquid scintillat...


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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50004178
PNG
(Nociceptin | Nociceptin/orphanin FQ | ORPHANIN FQ)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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n/an/an/an/a 0.0900n/an/an/an/a



Purdue Pharma LP

Curated by ChEMBL


Assay Description
Agonist activity as stimulation of [35S]-GTP-gamma binding to human Opioid receptor like 1


Bioorg Med Chem Lett 14: 5045-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.001
BindingDB Entry DOI: 10.7270/Q2TM7BV8
More data for this
Ligand-Target Pair
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