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Compile Data Set for Download or QSAR

Found 191 hits with Last Name = 'tolomelli' and Initial = 'a'   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
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 |r|
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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0.160n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
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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1.5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
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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1.60n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
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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3.30n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398700
PNG
(CHEMBL2178733)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H27N5O4/c1-15(30)28-21(12-17-13-26-19-10-6-5-9-18(17)19)24(33)29-20(23(32)27-14-22(25)31)11-16-7-3-2-4-8-16/h2-10,13,20-21,26H,11-12,14H2,1H3,(H2,25,31)(H,27,32)(H,28,30)(H,29,33)/t20-,21+/m0/s1
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5.60n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398702
PNG
(CHEMBL2178731)
Show SMILES NC(=O)[C@H]1CC(=O)NCCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 |r|
Show InChI InChI=1S/C27H30N6O5/c28-25(36)20-14-24(35)29-11-10-23(34)31-22(13-17-15-30-19-9-5-4-8-18(17)19)27(38)33-21(26(37)32-20)12-16-6-2-1-3-7-16/h1-9,15,20-22,30H,10-14H2,(H2,28,36)(H,29,35)(H,31,34)(H,32,37)(H,33,38)/t20-,21+,22-/m1/s1
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5.90n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398709
PNG
(CHEMBL2178724)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H27N5O4/c1-15(30)28-21(12-17-13-26-19-10-6-5-9-18(17)19)24(33)29-20(23(32)27-14-22(25)31)11-16-7-3-2-4-8-16/h2-10,13,20-21,26H,11-12,14H2,1H3,(H2,25,31)(H,27,32)(H,28,30)(H,29,33)/t20-,21-/m0/s1
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12n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398701
PNG
(CHEMBL2178732)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C22H24N4O3/c1-14(27)25-20(12-16-13-24-18-10-6-5-9-17(16)18)22(29)26-19(21(23)28)11-15-7-3-2-4-8-15/h2-10,13,19-20,24H,11-12H2,1H3,(H2,23,28)(H,25,27)(H,26,29)/t19-,20+/m0/s1
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16n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398701
PNG
(CHEMBL2178732)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C22H24N4O3/c1-14(27)25-20(12-16-13-24-18-10-6-5-9-17(16)18)22(29)26-19(21(23)28)11-15-7-3-2-4-8-15/h2-10,13,19-20,24H,11-12H2,1H3,(H2,23,28)(H,25,27)(H,26,29)/t19-,20+/m0/s1
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24n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154301
PNG
(CHEMBL187369 | [(5S,9S,12R,14aS)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29+,30+,31+/m1/s1
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30n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154297
PNG
(CHEMBL364853 | [(5S,9R,12R,14aS)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29-,30+,31+/m1/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154295
PNG
(CHEMBL359792 | [(5S,9S,12S,14aS)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29-,30-,31-/m0/s1
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2.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154298
PNG
(CHEMBL364764 | [(5R,9S,12R,14aS)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29+,30-,31+/m1/s1
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3.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154296
PNG
(CHEMBL434545 | [(5R,9R,12S,14aR)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29+,30+,31+/m0/s1
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6.60E+3n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154303
PNG
(CHEMBL365002 | [(5R,9R,12R,14aR)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29-,30-,31-/m1/s1
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1.10E+4n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154308
PNG
(CHEMBL362739 | [(5R,9S,12S,14aR)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29-,30+,31+/m0/s1
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1.50E+4n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154306
PNG
(CHEMBL365609 | [(5R,9R,12R,14aS)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29-,30-,31+/m1/s1
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1.80E+4n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154305
PNG
(CHEMBL365889 | [(5R,9S,12R,14aR)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29+,30-,31-/m1/s1
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2.30E+4n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154299
PNG
(CHEMBL363714 | [(5S,9S,12S,14aR)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29-,30-,31+/m0/s1
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2.70E+4n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154304
PNG
(CHEMBL359791 | [(5S,9R,12S,14aR)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29+,30-,31+/m0/s1
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3.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154302
PNG
(CHEMBL365667 | [(5S,9R,12S,14aS)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29+,30-,31-/m0/s1
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3.20E+4n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50398709
PNG
(CHEMBL2178724)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H27N5O4/c1-15(30)28-21(12-17-13-26-19-10-6-5-9-18(17)19)24(33)29-20(23(32)27-14-22(25)31)11-16-7-3-2-4-8-16/h2-10,13,20-21,26H,11-12,14H2,1H3,(H2,25,31)(H,27,32)(H,28,30)(H,29,33)/t20-,21-/m0/s1
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3.30E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154300
PNG
(CHEMBL365003 | [(5S,9S,12R,14aR)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29+,30+,31-/m1/s1
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3.60E+4n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398709
PNG
(CHEMBL2178724)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H27N5O4/c1-15(30)28-21(12-17-13-26-19-10-6-5-9-18(17)19)24(33)29-20(23(32)27-14-22(25)31)11-16-7-3-2-4-8-16/h2-10,13,20-21,26H,11-12,14H2,1H3,(H2,25,31)(H,27,32)(H,28,30)(H,29,33)/t20-,21-/m0/s1
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7.40E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398703
PNG
(CHEMBL2178730)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C19H29N7O4/c1-12(27)25-14(8-5-9-23-19(21)22)18(30)26-15(17(29)24-11-16(20)28)10-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-11H2,1H3,(H2,20,28)(H,24,29)(H,25,27)(H,26,30)(H4,21,22,23)/t14-,15+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398704
PNG
(CHEMBL2178729)
Show SMILES CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C17H26N6O3/c1-11(24)22-13(8-5-9-21-17(19)20)16(26)23-14(15(18)25)10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-10H2,1H3,(H2,18,25)(H,22,24)(H,23,26)(H4,19,20,21)/t13-,14+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398708
PNG
(CHEMBL2178725)
Show SMILES CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C17H21N5O3/c1-11(23)21-15(8-13-9-19-10-20-13)17(25)22-14(16(18)24)7-12-5-3-2-4-6-12/h2-6,9-10,14-15H,7-8H2,1H3,(H2,18,24)(H,19,20)(H,21,23)(H,22,25)/t14-,15+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398708
PNG
(CHEMBL2178725)
Show SMILES CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C17H21N5O3/c1-11(23)21-15(8-13-9-19-10-20-13)17(25)22-14(16(18)24)7-12-5-3-2-4-6-12/h2-6,9-10,14-15H,7-8H2,1H3,(H2,18,24)(H,19,20)(H,21,23)(H,22,25)/t14-,15+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50398702
PNG
(CHEMBL2178731)
Show SMILES NC(=O)[C@H]1CC(=O)NCCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 |r|
Show InChI InChI=1S/C27H30N6O5/c28-25(36)20-14-24(35)29-11-10-23(34)31-22(13-17-15-30-19-9-5-4-8-18(17)19)27(38)33-21(26(37)32-20)12-16-6-2-1-3-7-16/h1-9,15,20-22,30H,10-14H2,(H2,28,36)(H,29,35)(H,31,34)(H,32,37)(H,33,38)/t20-,21+,22-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398705
PNG
(CHEMBL2178728)
Show SMILES CC(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C19H29N5O4/c1-13(25)23-15(9-5-6-10-20)19(28)24-16(18(27)22-12-17(21)26)11-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-12,20H2,1H3,(H2,21,26)(H,22,27)(H,23,25)(H,24,28)/t15-,16+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398706
PNG
(CHEMBL2178727)
Show SMILES CC(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C17H26N4O3/c1-12(22)20-14(9-5-6-10-18)17(24)21-15(16(19)23)11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-11,18H2,1H3,(H2,19,23)(H,20,22)(H,21,24)/t14-,15+/m1/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398707
PNG
(CHEMBL2178726)
Show SMILES CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C19H24N6O4/c1-12(26)24-16(8-14-9-21-11-23-14)19(29)25-15(18(28)22-10-17(20)27)7-13-5-3-2-4-6-13/h2-6,9,11,15-16H,7-8,10H2,1H3,(H2,20,27)(H,21,23)(H,22,28)(H,24,26)(H,25,29)/t15-,16+/m0/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398706
PNG
(CHEMBL2178727)
Show SMILES CC(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C17H26N4O3/c1-12(22)20-14(9-5-6-10-18)17(24)21-15(16(19)23)11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-11,18H2,1H3,(H2,19,23)(H,20,22)(H,21,24)/t14-,15+/m1/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398707
PNG
(CHEMBL2178726)
Show SMILES CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C19H24N6O4/c1-12(26)24-16(8-14-9-21-11-23-14)19(29)25-15(18(28)22-10-17(20)27)7-13-5-3-2-4-6-13/h2-6,9,11,15-16H,7-8,10H2,1H3,(H2,20,27)(H,21,23)(H,22,28)(H,24,26)(H,25,29)/t15-,16+/m0/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398704
PNG
(CHEMBL2178729)
Show SMILES CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C17H26N6O3/c1-11(24)22-13(8-5-9-21-17(19)20)16(26)23-14(15(18)25)10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-10H2,1H3,(H2,18,25)(H,22,24)(H,23,26)(H4,19,20,21)/t13-,14+/m1/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398705
PNG
(CHEMBL2178728)
Show SMILES CC(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C19H29N5O4/c1-13(25)23-15(9-5-6-10-20)19(28)24-16(18(27)22-12-17(21)26)11-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-12,20H2,1H3,(H2,21,26)(H,22,27)(H,23,25)(H,24,28)/t15-,16+/m1/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398700
PNG
(CHEMBL2178733)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H27N5O4/c1-15(30)28-21(12-17-13-26-19-10-6-5-9-18(17)19)24(33)29-20(23(32)27-14-22(25)31)11-16-7-3-2-4-8-16/h2-10,13,20-21,26H,11-12,14H2,1H3,(H2,25,31)(H,27,32)(H,28,30)(H,29,33)/t20-,21+/m0/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398703
PNG
(CHEMBL2178730)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C19H29N7O4/c1-12(27)25-14(8-5-9-23-19(21)22)18(30)26-15(17(29)24-11-16(20)28)10-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-11H2,1H3,(H2,20,28)(H,24,29)(H,25,27)(H,26,30)(H4,21,22,23)/t14-,15+/m1/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398702
PNG
(CHEMBL2178731)
Show SMILES NC(=O)[C@H]1CC(=O)NCCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 |r|
Show InChI InChI=1S/C27H30N6O5/c28-25(36)20-14-24(35)29-11-10-23(34)31-22(13-17-15-30-19-9-5-4-8-18(17)19)27(38)33-21(26(37)32-20)12-16-6-2-1-3-7-16/h1-9,15,20-22,30H,10-14H2,(H2,28,36)(H,29,35)(H,31,34)(H,32,37)(H,33,38)/t20-,21+,22-/m1/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50398701
PNG
(CHEMBL2178732)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C22H24N4O3/c1-14(27)25-20(12-16-13-24-18-10-6-5-9-17(16)18)22(29)26-19(21(23)28)11-15-7-3-2-4-8-15/h2-10,13,19-20,24H,11-12H2,1H3,(H2,23,28)(H,25,27)(H,26,29)/t19-,20+/m0/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50398703
PNG
(CHEMBL2178730)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C19H29N7O4/c1-12(27)25-14(8-5-9-23-19(21)22)18(30)26-15(17(29)24-11-16(20)28)10-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-11H2,1H3,(H2,20,28)(H,24,29)(H,25,27)(H,26,30)(H4,21,22,23)/t14-,15+/m1/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50398704
PNG
(CHEMBL2178729)
Show SMILES CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C17H26N6O3/c1-11(24)22-13(8-5-9-21-17(19)20)16(26)23-14(15(18)25)10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-10H2,1H3,(H2,18,25)(H,22,24)(H,23,26)(H4,19,20,21)/t13-,14+/m1/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50398705
PNG
(CHEMBL2178728)
Show SMILES CC(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C19H29N5O4/c1-13(25)23-15(9-5-6-10-20)19(28)24-16(18(27)22-12-17(21)26)11-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-12,20H2,1H3,(H2,21,26)(H,22,27)(H,23,25)(H,24,28)/t15-,16+/m1/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50398706
PNG
(CHEMBL2178727)
Show SMILES CC(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C17H26N4O3/c1-12(22)20-14(9-5-6-10-18)17(24)21-15(16(19)23)11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-11,18H2,1H3,(H2,19,23)(H,20,22)(H,21,24)/t14-,15+/m1/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50398707
PNG
(CHEMBL2178726)
Show SMILES CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C19H24N6O4/c1-12(26)24-16(8-14-9-21-11-23-14)19(29)25-15(18(28)22-10-17(20)27)7-13-5-3-2-4-6-13/h2-6,9,11,15-16H,7-8,10H2,1H3,(H2,20,27)(H,21,23)(H,22,28)(H,24,26)(H,25,29)/t15-,16+/m0/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50398708
PNG
(CHEMBL2178725)
Show SMILES CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C17H21N5O3/c1-11(23)21-15(8-13-9-19-10-20-13)17(25)22-14(16(18)24)7-12-5-3-2-4-6-12/h2-6,9-10,14-15H,7-8H2,1H3,(H2,18,24)(H,19,20)(H,21,23)(H,22,25)/t14-,15+/m0/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50398700
PNG
(CHEMBL2178733)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H27N5O4/c1-15(30)28-21(12-17-13-26-19-10-6-5-9-18(17)19)24(33)29-20(23(32)27-14-22(25)31)11-16-7-3-2-4-8-16/h2-10,13,20-21,26H,11-12,14H2,1H3,(H2,25,31)(H,27,32)(H,28,30)(H,29,33)/t20-,21+/m0/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154309
PNG
(CHEMBL189285 | [(5R,9R,12S,14aS)-9-Benzyl-5-(4-hyd...)
Show SMILES OC(=O)CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H38N6O7/c43-25-14-12-23(13-15-25)18-30-35(48)41-16-6-11-31(41)34(47)38-28(19-24-20-37-27-10-5-4-9-26(24)27)33(46)39-29(17-22-7-2-1-3-8-22)36(49)42(40-30)21-32(44)45/h1-5,7-10,12-15,20,28-31,37,40,43H,6,11,16-19,21H2,(H,38,47)(H,39,46)(H,44,45)/t28-,29+,30+,31-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
2.30E+5n/an/an/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
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 |r|
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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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Universit£ di Bologna

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain membranes


J Med Chem 47: 5198-203 (2004)


Article DOI: 10.1021/jm0498811
BindingDB Entry DOI: 10.7270/Q2862H78
More data for this
Ligand-Target Pair
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