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Compile Data Set for Download or QSAR

Found 4799 hits Enz. Inhib. hit(s) with Target = 'mu/kappa opioid receptor'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50384053
PNG
(CHEMBL2032453)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)C(=O)NCCOCCOCC(=O)NCC(=O)NCc1cn(nn1)-c1ccc(cc1)C(=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1
Show InChI InChI=1S/C66H86N14O12/c1-44(2)37-55(75-65(89)56(39-47-13-7-4-8-14-47)74-63(87)53(68)38-46-11-5-3-6-12-46)64(88)73-54(15-9-10-29-67)66(90)78-31-26-49(27-32-78)61(85)69-30-34-91-35-36-92-43-58(82)71-41-57(81)70-40-51-42-80(77-76-51)52-23-19-48(20-24-52)62(86)72-50-21-16-45(17-22-50)18-25-59(83)79-33-28-60(79)84/h3-8,11-14,16-17,19-24,42,44,49,53-56H,9-10,15,18,25-41,43,67-68H2,1-2H3,(H,69,85)(H,70,81)(H,71,82)(H,72,86)(H,73,88)(H,74,87)(H,75,89)/t53-,54-,55-,56-/m1/s1
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n/an/an/an/a 0.100n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at kappa opioid receptor in guinea pig illeum assessed as electric field-stimulated response


Bioorg Med Chem Lett 22: 4173-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.040
BindingDB Entry DOI: 10.7270/Q2251K62
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50384059
PNG
(CHEMBL2032452)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC(=O)NCCOCCOCC(=O)NCC(=O)NCc2cn(nn2)-c2ccc(cc2)C(=O)Nc2ccc(CCC(=O)N3CCC3=O)cc2)CC1
Show InChI InChI=1S/C67H88N14O12/c1-45(2)37-56(76-66(90)57(39-48-13-7-4-8-14-48)75-64(88)54(69)38-47-11-5-3-6-12-47)65(89)74-55(15-9-10-29-68)67(91)79-31-26-49(27-32-79)40-58(82)70-30-34-92-35-36-93-44-60(84)72-42-59(83)71-41-52-43-81(78-77-52)53-23-19-50(20-24-53)63(87)73-51-21-16-46(17-22-51)18-25-61(85)80-33-28-62(80)86/h3-8,11-14,16-17,19-24,43,45,49,54-57H,9-10,15,18,25-42,44,68-69H2,1-2H3,(H,70,82)(H,71,83)(H,72,84)(H,73,87)(H,74,89)(H,75,88)(H,76,90)/t54-,55-,56-,57-/m1/s1
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n/an/an/an/a 0.200n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at kappa opioid receptor in guinea pig illeum assessed as electric field-stimulated response


Bioorg Med Chem Lett 22: 4173-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.040
BindingDB Entry DOI: 10.7270/Q2251K62
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50384054
PNG
(CHEMBL2032447)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(N)=O
Show InChI InChI=1S/C30H44N6O4/c1-20(2)17-25(29(39)34-24(27(33)37)15-9-10-16-31)36-30(40)26(19-22-13-7-4-8-14-22)35-28(38)23(32)18-21-11-5-3-6-12-21/h3-8,11-14,20,23-26H,9-10,15-19,31-32H2,1-2H3,(H2,33,37)(H,34,39)(H,35,38)(H,36,40)/t23-,24-,25-,26-/m1/s1
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n/an/an/an/a 0.220n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at kappa opioid receptor in guinea pig illeum assessed as electric field-stimulated response


Bioorg Med Chem Lett 22: 4173-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.040
BindingDB Entry DOI: 10.7270/Q2251K62
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
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
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/an/an/a 1.60n/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Negative logarithm of the molar concentration for agonist activity at mu receptor was determined in guinea pig ileum


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


Article DOI: 10.1016/s0960-894x(00)00569-2
BindingDB Entry DOI: 10.7270/Q25H7HF1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


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



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


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


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


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


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



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


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


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


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


(Cavia porcellus (domestic guinea pig))
BDBM224024
PNG
(BDBM50241435 | Dynorphin A (1-13) | YGGFLRRXRPKLK)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
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n/an/an/an/a 18n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity towards k-opioid receptor k-EL-2 mutant (wild-type) expressed in HEK cells


J Med Chem 43: 1251-2 (2001)


Article DOI: 10.1021/jm990583r
BindingDB Entry DOI: 10.7270/Q270824F
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50354578
PNG
(BUPRENORPHINE | US9315514, Buprenorphine)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1
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n/an/an/an/a 21n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Agonist activity at KOR in guinea pig vas deferens


J Med Chem 55: 9868-74 (2012)


Article DOI: 10.1021/jm301096s
BindingDB Entry DOI: 10.7270/Q2M909TS
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50354578
PNG
(BUPRENORPHINE | US9315514, Buprenorphine)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1
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n/an/an/an/a 21n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Agonist activity at MOR in guinea pig vas deferens


J Med Chem 55: 9868-74 (2012)


Article DOI: 10.1021/jm301096s
BindingDB Entry DOI: 10.7270/Q2M909TS
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


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



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


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


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


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


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



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at mu-opioid receptor in guinea pig ileum assessed as inhibition of electrically induced twitches


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


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


(GUINEA PIG)
BDBM50017698
PNG
(4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N,N...)
Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3
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n/an/an/an/a 58n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor mediated GTPgammaS binding to CHO cell membranes


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50182944
PNG
(4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazo...)
Show SMILES N[C@@H](Cc1ccc(cc1)C(N)=O)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C24H27N5O2/c25-19(14-16-9-11-18(12-10-16)22(26)30)24(31)29-13-5-4-8-21(29)23-27-15-20(28-23)17-6-2-1-3-7-17/h1-3,6-7,9-12,15,19,21H,4-5,8,13-14,25H2,(H2,26,30)(H,27,28)/t19-,21-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


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


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


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


(GUINEA PIG)
BDBM50154041
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-2-(5-methyl...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1CCCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C24H28N4O2/c1-16-22(18-7-3-2-4-8-18)27-23(26-16)21-9-5-6-14-28(21)24(30)20(25)15-17-10-12-19(29)13-11-17/h2-4,7-8,10-13,20-21,29H,5-6,9,14-15,25H2,1H3,(H,26,27)/t20-,21-/m0/s1
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n/an/an/an/a 142n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


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


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


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


(GUINEA PIG)
BDBM50154041
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-2-(5-methyl...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1CCCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C24H28N4O2/c1-16-22(18-7-3-2-4-8-18)27-23(26-16)21-9-5-6-14-28(21)24(30)20(25)15-17-10-12-19(29)13-11-17/h2-4,7-8,10-13,20-21,29H,5-6,9,14-15,25H2,1H3,(H,26,27)/t20-,21-/m0/s1
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n/an/an/an/a 153n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor mediated GTPgammaS binding to CHO cell membranes


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50182947
PNG
(4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazo...)
Show SMILES N[C@@H](Cc1ccc(cc1)C(N)=O)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C28H27N5O2/c29-23(14-18-10-12-20(13-11-18)26(30)34)28(35)33-17-22-9-5-4-8-21(22)15-25(33)27-31-16-24(32-27)19-6-2-1-3-7-19/h1-13,16,23,25H,14-15,17,29H2,(H2,30,34)(H,31,32)/t23-,25-/m0/s1
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n/an/an/an/a 155n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


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


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


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


(GUINEA PIG)
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/an/an/a 158n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at MOR in Dunkin-Hartley guinea pig ileum assessed as inhibition of EFS-induced contractions incubated for 60 mins


Bioorg Med Chem 24: 2832-42 (2016)


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


(GUINEA PIG)
BDBM50182943
PNG
(4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazo...)
Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C30H31N5O2/c1-18-12-23(28(32)36)13-19(2)24(18)15-25(31)30(37)35-17-22-11-7-6-10-21(22)14-27(35)29-33-16-26(34-29)20-8-4-3-5-9-20/h3-13,16,25,27H,14-15,17,31H2,1-2H3,(H2,32,36)(H,33,34)/t25-,27-/m0/s1
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n/an/an/an/a 161n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


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


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


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


(GUINEA PIG)
BDBM50140900
PNG
(6-(2,4-dichlorophenyl)-19-methyl-(2R,10R)-11-oxa-8...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cc(cnc41)-c1ccc(Cl)cc1Cl)ccc5O
Show InChI InChI=1S/C26H22Cl2N2O2/c1-30-7-6-26-18-9-14-8-15(17-4-3-16(27)11-19(17)28)12-29-23(14)25(26)32-24-21(31)5-2-13(22(24)26)10-20(18)30/h2-5,8,11-12,18,20,25,31H,6-7,9-10H2,1H3/t18-,20?,25-,26-/m0/s1
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n/an/an/an/a 225n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonistic activity towards Opioid receptor mu 1 was determined in [35S]GTP-gamma-S, binding assay in guinea pig caudate; g = not active as an agonist


J Med Chem 47: 1400-12 (2004)


Article DOI: 10.1021/jm030311v
BindingDB Entry DOI: 10.7270/Q2639QGW
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50133264
PNG
(CHEMBL133719 | [(2S,3S)-TMT1]DPDPE)
Show SMILES C[C@H]([C@H](N)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(O)=O)C(C)(C)S)C(C)(C)S)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H47N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26(32(4,5)46)30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47/h8-14,19,22,25-27,39,46-47H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22-,25-,26+,27+/m0/s1
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n/an/an/an/a 290n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro bioassay data to determine the effective concentration required for antagonistic activity against Opioid receptor mu 1 in functional assay,G...


J Med Chem 46: 4215-31 (2003)


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


(GUINEA PIG)
BDBM50038422
PNG
((4S,7S,13S)-13-[(2S,3S)-2-Amino-3-(4-hydroxy-2,6-d...)
Show SMILES C[C@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1c(C)cc(O)cc1C
Show InChI InChI=1S/C33H45N5O7S2/c1-17-13-21(39)14-18(2)24(17)19(3)25(34)29(42)37-26-30(43)35-16-23(40)36-22(15-20-11-9-8-10-12-20)28(41)38-27(31(44)45)33(6,7)47-46-32(26,4)5/h8-14,19,22,25-27,39H,15-16,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t19-,22-,25-,26-,27-/m0/s1
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n/an/an/an/a 293n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Effective concentration was measured towards mu opioid receptor using guinea pig ileum (GPI,mu) bioassay in vitro


J Med Chem 37: 1746-57 (1994)


Article DOI: 10.1021/jm00038a004
BindingDB Entry DOI: 10.7270/Q2N58N1K
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/an/an/a 414n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonistic activity towards Opioid receptor mu 1 was determined in [35S]GTP-gamma-S, binding assay in guinea pig caudate


J Med Chem 47: 1400-12 (2004)


Article DOI: 10.1021/jm030311v
BindingDB Entry DOI: 10.7270/Q2639QGW
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50403819
PNG
(CHEMBL440881)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C20H24N2O2/c1-13-9-17(23)10-14(2)18(13)11-19(21)20(24)22-8-7-15-5-3-4-6-16(15)12-22/h3-6,9-10,19,23H,7-8,11-12,21H2,1-2H3/t19-/m0/s1
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n/an/an/an/a 490n/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Negative logarithm of the molar concentration for agonist activity at mu receptor was determined in guinea pig ileum


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


Article DOI: 10.1016/s0960-894x(00)00569-2
BindingDB Entry DOI: 10.7270/Q25H7HF1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50101612
PNG
(2-Amino-1-(3-benzyloxymethyl-3,4-dihydro-1H-isoqui...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1COCc1ccccc1
Show InChI InChI=1S/C28H32N2O3/c1-19-12-25(31)13-20(2)26(19)15-27(29)28(32)30-16-23-11-7-6-10-22(23)14-24(30)18-33-17-21-8-4-3-5-9-21/h3-13,24,27,31H,14-18,29H2,1-2H3/t24-,27-/m0/s1
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n/an/an/an/a 525n/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Negative logarithm of the molar concentration for agonist activity at mu receptor was determined in guinea pig ileum


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


Article DOI: 10.1016/s0960-894x(00)00569-2
BindingDB Entry DOI: 10.7270/Q25H7HF1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50403820
PNG
(CHEMBL92707)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccc(F)cc2C1
Show InChI InChI=1S/C20H23FN2O2/c1-12-7-17(24)8-13(2)18(12)10-19(22)20(25)23-6-5-14-3-4-16(21)9-15(14)11-23/h3-4,7-9,19,24H,5-6,10-11,22H2,1-2H3/t19-/m0/s1
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n/an/an/an/a 631n/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Negative logarithm of the molar concentration for agonist activity at mu receptor was determined in guinea pig ileum


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


Article DOI: 10.1016/s0960-894x(00)00569-2
BindingDB Entry DOI: 10.7270/Q25H7HF1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50140903
PNG
(19-methyl-6-phenyl-(2S,10R)-11-oxa-8,19-diazahexac...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cc(cnc41)-c1ccccc1)ccc5O
Show InChI InChI=1S/C26H24N2O3/c1-28-10-9-25-21-16-7-8-19(29)23(21)31-24(25)22-17(13-26(25,30)20(28)12-16)11-18(14-27-22)15-5-3-2-4-6-15/h2-8,11,14,20,24,29-30H,9-10,12-13H2,1H3/t20?,24-,25-,26+/m0/s1
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n/an/an/an/a 660n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonistic activity towards Opioid receptor mu 1 was determined in [35S]GTP-gamma-S, binding assay in guinea pig caudate


J Med Chem 47: 1400-12 (2004)


Article DOI: 10.1021/jm030311v
BindingDB Entry DOI: 10.7270/Q2639QGW
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50142692
PNG
(CHEMBL3759092)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1ccccc1
Show InChI InChI=1S/C23H28N2O2/c1-16-21-14-17-8-9-19(26)15-20(17)23(16,2)11-13-25(21)12-10-22(27)24-18-6-4-3-5-7-18/h3-9,15-16,21,26H,10-14H2,1-2H3,(H,24,27)/t16-,21+,23+/m0/s1
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n/an/an/an/a 794n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at MOR in Dunkin-Hartley guinea pig ileum assessed as inhibition of EFS-induced contractions incubated for 60 mins


Bioorg Med Chem 24: 2832-42 (2016)


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


(GUINEA PIG)
BDBM50403821
PNG
(CHEMBL93891)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccc(F)cc2CC1C(O)=O
Show InChI InChI=1S/C21H23FN2O4/c1-11-5-16(25)6-12(2)17(11)9-18(23)20(26)24-10-13-3-4-15(22)7-14(13)8-19(24)21(27)28/h3-7,18-19,25H,8-10,23H2,1-2H3,(H,27,28)/t18-,19?/m0/s1
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n/an/an/an/a 813n/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Negative logarithm of the molar concentration for agonist activity at mu receptor was determined in guinea pig ileum


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


Article DOI: 10.1016/s0960-894x(00)00569-2
BindingDB Entry DOI: 10.7270/Q25H7HF1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50140901
PNG
(6-(4-chlorophenyl)-19-methyl-(2R,10R)-11-oxa-8,19-...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cc(cnc41)-c1ccc(Cl)cc1)ccc5O
Show InChI InChI=1S/C26H23ClN2O2/c1-29-9-8-26-19-11-16-10-17(14-2-5-18(27)6-3-14)13-28-23(16)25(26)31-24-21(30)7-4-15(22(24)26)12-20(19)29/h2-7,10,13,19-20,25,30H,8-9,11-12H2,1H3/t19-,20?,25-,26-/m0/s1
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n/an/an/an/a 900n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonistic activity towards Opioid receptor mu 1 was determined in [35S]GTP-gamma-S, binding assay in guinea pig caudate; g = not active as an agonist


J Med Chem 47: 1400-12 (2004)


Article DOI: 10.1021/jm030311v
BindingDB Entry DOI: 10.7270/Q2639QGW
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50140905
PNG
(19-methyl-6-phenyl-(2R,10R)-11-oxa-8,19-diazahexac...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cc(cnc41)-c1ccccc1)ccc5O
Show InChI InChI=1S/C26H24N2O2/c1-28-10-9-26-19-12-17-11-18(15-5-3-2-4-6-15)14-27-23(17)25(26)30-24-21(29)8-7-16(22(24)26)13-20(19)28/h2-8,11,14,19-20,25,29H,9-10,12-13H2,1H3/t19-,20?,25-,26-/m0/s1
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n/an/an/an/a 1.03E+3n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Antagonism of compound towards Opioid receptor mu 1 was determined using PL-017 in guinea pig ileum (GPI) smooth muscle contraction assays; d = agoni...


J Med Chem 47: 1400-12 (2004)


Article DOI: 10.1021/jm030311v
BindingDB Entry DOI: 10.7270/Q2639QGW
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50068136
PNG
(3-[(4-Benzyl-piperazin-1-yl)-phenyl-methyl]-phenol...)
Show SMILES Oc1cccc(c1)C(N1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C24H26N2O/c27-23-13-7-12-22(18-23)24(21-10-5-2-6-11-21)26-16-14-25(15-17-26)19-20-8-3-1-4-9-20/h1-13,18,24,27H,14-17,19H2
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n/an/an/an/a 1.25E+3n/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Tested for electrically induced smooth muscle contractions from guinea pig ileum expressed in mu opioid receptors


J Med Chem 41: 4767-76 (1998)


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


(GUINEA PIG)
BDBM50154037
PNG
(2-Amino-3-(4-hydroxy-phenyl)-1-[2-(5-methyl-4-phen...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C23H26N4O2/c1-15-21(17-6-3-2-4-7-17)26-22(25-15)20-8-5-13-27(20)23(29)19(24)14-16-9-11-18(28)12-10-16/h2-4,6-7,9-12,19-20,28H,5,8,13-14,24H2,1H3,(H,25,26)/t19-,20-/m0/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor mediated GTPgammaS binding to CHO cell membranes


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50140909
PNG
(6-(3,4-dichlorophenyl)-19-methyl-(2R,10R)-11-oxa-8...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cc(cnc41)-c1ccc(Cl)c(Cl)c1)ccc5O
Show InChI InChI=1S/C26H22Cl2N2O2/c1-30-7-6-26-17-9-15-8-16(13-2-4-18(27)19(28)10-13)12-29-23(15)25(26)32-24-21(31)5-3-14(22(24)26)11-20(17)30/h2-5,8,10,12,17,20,25,31H,6-7,9,11H2,1H3/t17-,20?,25-,26-/m0/s1
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n/an/an/an/a 1.31E+3n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonistic activity towards Opioid receptor mu 1 was determined in [35S]GTP-gamma-S, binding assay in guinea pig caudate; g = not active as an agonist


J Med Chem 47: 1400-12 (2004)


Article DOI: 10.1021/jm030311v
BindingDB Entry DOI: 10.7270/Q2639QGW
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50393720
PNG
(CHEMBL2159122 | CHEMBL3216329)
Show SMILES Cl.Cl.COc1ccc(CN(C(C)c2nc(c[nH]2)-c2ccccc2)C(=O)C(N)Cc2c(C)cc(cc2C)C(N)=O)cc1C(O)=O
Show InChI InChI=1S/C32H35N5O5/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41)/t20-,26-/m0/s1
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n/an/an/an/a 1.60E+3n/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Agonist activity at kappa opioid receptor guinea pig colon tissue


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50154042
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-1,2,3,4...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccccc1
Show InChI InChI=1S/C27H29N3O3/c28-24(16-20-10-12-23(31)13-11-20)27(33)30-18-22-9-5-4-8-21(22)17-25(30)26(32)29-15-14-19-6-2-1-3-7-19/h1-13,24-25,31H,14-18,28H2,(H,29,32)/t24-,25-/m0/s1
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n/an/an/an/a 2.12E+3n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor mediated GTPgammaS binding to CHO cell membranes


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50154036
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O2/c28-23(14-18-10-12-22(32)13-11-18)27(33)31-17-21-9-5-4-8-20(21)15-25(31)26-29-16-24(30-26)19-6-2-1-3-7-19/h1-13,16,23,25,32H,14-15,17,28H2,(H,29,30)/t23-,25-/m0/s1
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n/an/an/an/a 2.40E+3n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor mediated GTPgammaS binding to CHO cell membranes


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50154036
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O2/c28-23(14-18-10-12-22(32)13-11-18)27(33)31-17-21-9-5-4-8-20(21)15-25(31)26-29-16-24(30-26)19-6-2-1-3-7-19/h1-13,16,23,25,32H,14-15,17,28H2,(H,29,30)/t23-,25-/m0/s1
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n/an/an/an/a 2.45E+3n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


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


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


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


(GUINEA PIG)
BDBM50038424
PNG
((S)-3-[(S)-2-((R)-2-Amino-propionylamino)-3-phenyl...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C28H43N7O8/c1-14(2)22(27(42)31-13-20(30)36)35-28(43)23(15(3)4)34-26(41)19(12-21(37)38)33-25(40)18(32-24(39)16(5)29)11-17-9-7-6-8-10-17/h6-10,14-16,18-19,22-23H,11-13,29H2,1-5H3,(H2,30,36)(H,31,42)(H,32,39)(H,33,40)(H,34,41)(H,35,43)(H,37,38)/t16-,18+,19+,22+,23+/m1/s1
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n/an/an/an/a 2.90E+3n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Effective concentration was measured towards mu opioid receptor using guinea pig ileum (GPI,mu) bioassay in vitro


J Med Chem 37: 1746-57 (1994)


Article DOI: 10.1021/jm00038a004
BindingDB Entry DOI: 10.7270/Q2N58N1K
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50140899
PNG
(19-methyl-(2S,10R)-11-oxa-8,19-diazahexacyclo[10.9...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1cccnc41)ccc5O
Show InChI InChI=1S/C20H20N2O3/c1-22-8-6-19-15-11-4-5-13(23)17(15)25-18(19)16-12(3-2-7-21-16)10-20(19,24)14(22)9-11/h2-5,7,14,18,23-24H,6,8-10H2,1H3/t14?,18-,19-,20+/m0/s1
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n/an/an/an/a 3.00E+3n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonistic activity towards Opioid receptor mu 1 was determined in [35S]GTP-gamma-S, binding assay in guinea pig caudate


J Med Chem 47: 1400-12 (2004)


Article DOI: 10.1021/jm030311v
BindingDB Entry DOI: 10.7270/Q2639QGW
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50140910
PNG
(19-methyl-(2R,10R)-11-oxa-8,19-diazahexacyclo[10.9...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cccnc41)ccc5O
Show InChI InChI=1S/C20H20N2O2/c1-22-8-6-20-13-9-12-3-2-7-21-17(12)19(20)24-18-15(23)5-4-11(16(18)20)10-14(13)22/h2-5,7,13-14,19,23H,6,8-10H2,1H3/t13-,14?,19-,20-/m0/s1
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n/an/an/an/a 3.00E+3n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonistic activity towards Opioid receptor mu 1 was determined in [35S]GTP-gamma-S, binding assay in guinea pig caudate


J Med Chem 47: 1400-12 (2004)


Article DOI: 10.1021/jm030311v
BindingDB Entry DOI: 10.7270/Q2639QGW
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50140898
PNG
(6-(4-bromophenyl)-19-methyl-(2R,10R)-11-oxa-8,19-d...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cc(cnc41)-c1ccc(Br)cc1)ccc5O
Show InChI InChI=1S/C26H23BrN2O2/c1-29-9-8-26-19-11-16-10-17(14-2-5-18(27)6-3-14)13-28-23(16)25(26)31-24-21(30)7-4-15(22(24)26)12-20(19)29/h2-7,10,13,19-20,25,30H,8-9,11-12H2,1H3/t19-,20?,25-,26-/m0/s1
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n/an/an/an/a 3.22E+3n/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Agonistic activity towards Opioid receptor mu 1 was determined in [35S]GTP-gamma-S, binding assay in guinea pig caudate; g = not active as an agonist


J Med Chem 47: 1400-12 (2004)


Article DOI: 10.1021/jm030311v
BindingDB Entry DOI: 10.7270/Q2639QGW
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50038425
PNG
((S)-3-((S)-2-{(R)-2-[(2S,3S)-2-Amino-3-(4-hydroxy-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)[C@@H](C)c1c(C)cc(O)cc1C)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H58N8O10/c1-19(2)33(39(57)43-18-29(41)50)48-40(58)34(20(3)4)47-37(55)28(17-30(51)52)46-36(54)27(16-25-12-10-9-11-13-25)45-35(53)24(8)44-38(56)32(42)23(7)31-21(5)14-26(49)15-22(31)6/h9-15,19-20,23-24,27-28,32-34,49H,16-18,42H2,1-8H3,(H2,41,50)(H,43,57)(H,44,56)(H,45,53)(H,46,54)(H,47,55)(H,48,58)(H,51,52)/t23-,24+,27-,28-,32-,33-,34-/m0/s1
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n/an/an/an/a 3.84E+3n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Effective concentration was measured towards mu opioid receptor using guinea pig ileum (GPI,mu) bioassay in vitro


J Med Chem 37: 1746-57 (1994)


Article DOI: 10.1021/jm00038a004
BindingDB Entry DOI: 10.7270/Q2N58N1K
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/an/an/a 7.30E+3n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
In vitro bioassay data to determine the effective concentration required for antagonistic activity against Opioid receptor mu 1 in functional assay,G...


J Med Chem 46: 4215-31 (2003)


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


(GUINEA PIG)
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/an/an/a 7.30E+3n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Effective concentration was measured towards mu opioid receptor using guinea pig ileum (GPI,mu) bioassay in vitro


J Med Chem 37: 1746-57 (1994)


Article DOI: 10.1021/jm00038a004
BindingDB Entry DOI: 10.7270/Q2N58N1K
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50068132
PNG
(3-[(4-Benzyl-piperazin-1-yl)-(4-tert-butyl-phenyl)...)
Show SMILES CC(C)(C)c1ccc(cc1)C(N1CCN(Cc2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H34N2O/c1-28(2,3)25-14-12-23(13-15-25)27(24-10-7-11-26(31)20-24)30-18-16-29(17-19-30)21-22-8-5-4-6-9-22/h4-15,20,27,31H,16-19,21H2,1-3H3
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n/an/an/an/a 7.60E+3n/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Tested for electrically induced smooth muscle contractions from guinea pig ileum expressed in mu opioid receptors


J Med Chem 41: 4767-76 (1998)


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


(GUINEA PIG)
BDBM50060073
PNG
(2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(N)=O
Show InChI InChI=1S/C21H25N3O3/c1-12-7-16(25)8-13(2)17(12)10-18(22)21(27)24-11-15-6-4-3-5-14(15)9-19(24)20(23)26/h3-8,18-19,25H,9-11,22H2,1-2H3,(H2,23,26)/t18-,19?/m0/s1
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n/an/an/an/a<1.00E+4n/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Negative logarithm of the molar concentration for agonist activity at Opioid receptor mu 1 was determined in guinea pig ileum


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


Article DOI: 10.1016/s0960-894x(00)00569-2
BindingDB Entry DOI: 10.7270/Q25H7HF1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50154040
PNG
(2-Amino-1-[3-(1H-benzoimidazol-2-yl)-3,4-dihydro-1...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H24N4O2/c26-20(13-16-9-11-19(30)12-10-16)25(31)29-15-18-6-2-1-5-17(18)14-23(29)24-27-21-7-3-4-8-22(21)28-24/h1-12,20,23,30H,13-15,26H2,(H,27,28)/t20-,23-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor mediated GTPgammaS binding to CHO cell membranes


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50240679
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-(3-hyd...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1CO
Show InChI InChI=1S/C21H26N2O3/c1-13-7-18(25)8-14(2)19(13)10-20(22)21(26)23-11-16-6-4-3-5-15(16)9-17(23)12-24/h3-8,17,20,24-25H,9-12,22H2,1-2H3/t17?,20-/m0/s1
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n/an/an/an/a<1.00E+4n/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Negative logarithm of the molar concentration for agonist activity at Opioid receptor mu 1 was determined in guinea pig ileum


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


Article DOI: 10.1016/s0960-894x(00)00569-2
BindingDB Entry DOI: 10.7270/Q25H7HF1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50154035
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(5-methyl...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C28H28N4O2/c1-18-26(20-7-3-2-4-8-20)31-27(30-18)25-16-21-9-5-6-10-22(21)17-32(25)28(34)24(29)15-19-11-13-23(33)14-12-19/h2-14,24-25,33H,15-17,29H2,1H3,(H,30,31)/t24-,25-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor mediated GTPgammaS binding to CHO cell membranes


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50154039
PNG
(2-Amino-1-[3-(5-bromo-4-phenyl-1H-imidazol-2-yl)-3...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c(Br)[nH]1)-c1ccccc1
Show InChI InChI=1S/C27H25BrN4O2/c28-25-24(18-6-2-1-3-7-18)30-26(31-25)23-15-19-8-4-5-9-20(19)16-32(23)27(34)22(29)14-17-10-12-21(33)13-11-17/h1-13,22-23,33H,14-16,29H2,(H,30,31)/t22-,23-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor mediated GTPgammaS binding to CHO cell membranes


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
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