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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50039293   
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-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326681
PNG
(3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES C[C@H]1CN(CCC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C23H28N2O2/c1-16-15-25(11-10-22(27)24-18-6-4-3-5-7-18)19-12-17-8-9-20(26)13-21(17)23(16,2)14-19/h3-9,13,16,19,26H,10-12,14-15H2,1-2H3,(H,24,27)/t16-,19?,23+/m0/s1
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0.830n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Mu-type 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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0.870n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
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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1.10n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
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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2.70n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from Sprague-Dawley rat delta opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326681
PNG
(3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES C[C@H]1CN(CCC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C23H28N2O2/c1-16-15-25(11-10-22(27)24-18-6-4-3-5-7-18)19-12-17-8-9-20(26)13-21(17)23(16,2)14-19/h3-9,13,16,19,26H,10-12,14-15H2,1-2H3,(H,24,27)/t16-,19?,23+/m0/s1
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29n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from Sprague-Dawley rat delta opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326682
PNG
(CHEMBL1254768 | N-Cyclohexyl-3-[(2R,6R,11R)-8-hydr...)
Show SMILES C[C@H]1CN(CCC(=O)NC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C23H34N2O2/c1-16-15-25(11-10-22(27)24-18-6-4-3-5-7-18)19-12-17-8-9-20(26)13-21(17)23(16,2)14-19/h8-9,13,16,18-19,26H,3-7,10-12,14-15H2,1-2H3,(H,24,27)/t16-,19?,23+/m0/s1
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56n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326683
PNG
(3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES C[C@H]1CN(CCC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C24H30N2O2/c1-17-16-26(12-11-23(28)25(3)19-7-5-4-6-8-19)20-13-18-9-10-21(27)14-22(18)24(17,2)15-20/h4-10,14,17,20,27H,11-13,15-16H2,1-3H3/t17-,20?,24+/m0/s1
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65n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326684
PNG
(3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES CCN(C(=O)CCN1C[C@H](C)[C@@]2(C)C[C@H]1Cc1ccc(O)cc21)c1ccccc1 |r|
Show InChI InChI=1S/C25H32N2O2/c1-4-27(20-8-6-5-7-9-20)24(29)12-13-26-17-18(2)25(3)16-21(26)14-19-10-11-22(28)15-23(19)25/h5-11,15,18,21,28H,4,12-14,16-17H2,1-3H3/t18-,21?,25+/m0/s1
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70n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326685
PNG
(CHEMBL1254858 | N-Benzyl-3-[(2R,6R,11R)-8-hydroxy-...)
Show SMILES C[C@H]1CN(CCC(=O)NCc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C24H30N2O2/c1-17-16-26(11-10-23(28)25-15-18-6-4-3-5-7-18)20-12-19-8-9-21(27)13-22(19)24(17,2)14-20/h3-9,13,17,20,27H,10-12,14-16H2,1-2H3,(H,25,28)/t17-,20?,24+/m0/s1
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105n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326686
PNG
(CHEMBL1254940 | N-(Cyclohexylmethyl)-3-[(2R,6R,11R...)
Show SMILES C[C@H]1CN(CCC(=O)NCC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C24H36N2O2/c1-17-16-26(11-10-23(28)25-15-18-6-4-3-5-7-18)20-12-19-8-9-21(27)13-22(19)24(17,2)14-20/h8-9,13,17-18,20,27H,3-7,10-12,14-16H2,1-2H3,(H,25,28)/t17-,20?,24+/m0/s1
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107n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326681
PNG
(3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES C[C@H]1CN(CCC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C23H28N2O2/c1-16-15-25(11-10-22(27)24-18-6-4-3-5-7-18)19-12-17-8-9-20(26)13-21(17)23(16,2)14-19/h3-9,13,16,19,26H,10-12,14-15H2,1-2H3,(H,24,27)/t16-,19?,23+/m0/s1
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110n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326686
PNG
(CHEMBL1254940 | N-(Cyclohexylmethyl)-3-[(2R,6R,11R...)
Show SMILES C[C@H]1CN(CCC(=O)NCC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C24H36N2O2/c1-17-16-26(11-10-23(28)25-15-18-6-4-3-5-7-18)20-12-19-8-9-21(27)13-22(19)24(17,2)14-20/h8-9,13,17-18,20,27H,3-7,10-12,14-16H2,1-2H3,(H,25,28)/t17-,20?,24+/m0/s1
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134n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326684
PNG
(3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES CCN(C(=O)CCN1C[C@H](C)[C@@]2(C)C[C@H]1Cc1ccc(O)cc21)c1ccccc1 |r|
Show InChI InChI=1S/C25H32N2O2/c1-4-27(20-8-6-5-7-9-20)24(29)12-13-26-17-18(2)25(3)16-21(26)14-19-10-11-22(28)15-23(19)25/h5-11,15,18,21,28H,4,12-14,16-17H2,1-3H3/t18-,21?,25+/m0/s1
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136n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326685
PNG
(CHEMBL1254858 | N-Benzyl-3-[(2R,6R,11R)-8-hydroxy-...)
Show SMILES C[C@H]1CN(CCC(=O)NCc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C24H30N2O2/c1-17-16-26(11-10-23(28)25-15-18-6-4-3-5-7-18)20-12-19-8-9-21(27)13-22(19)24(17,2)14-20/h3-9,13,17,20,27H,10-12,14-16H2,1-2H3,(H,25,28)/t17-,20?,24+/m0/s1
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237n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326683
PNG
(3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES C[C@H]1CN(CCC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C24H30N2O2/c1-17-16-26(12-11-23(28)25(3)19-7-5-4-6-8-19)20-13-18-9-10-21(27)14-22(18)24(17,2)15-20/h4-10,14,17,20,27H,11-13,15-16H2,1-3H3/t17-,20?,24+/m0/s1
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261n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326691
PNG
(2-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES CCN(C(=O)CN1C[C@H](C)[C@@]2(C)C[C@H]1Cc1ccc(O)cc21)c1ccccc1 |r|
Show InChI InChI=1S/C24H30N2O2/c1-4-26(19-8-6-5-7-9-19)23(28)16-25-15-17(2)24(3)14-20(25)12-18-10-11-21(27)13-22(18)24/h5-11,13,17,20,27H,4,12,14-16H2,1-3H3/t17-,20?,24+/m0/s1
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335n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326690
PNG
(2-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES C[C@H]1CN(CC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C23H28N2O2/c1-16-14-25(15-22(27)24(3)18-7-5-4-6-8-18)19-11-17-9-10-20(26)12-21(17)23(16,2)13-19/h4-10,12,16,19,26H,11,13-15H2,1-3H3/t16-,19?,23+/m0/s1
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339n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326687
PNG
(CHEMBL1254941 | N-(tert-Butyl)-3-[(2R,6R,11R)-8-hy...)
Show SMILES C[C@H]1CN(CCC(=O)NC(C)(C)C)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C21H32N2O2/c1-14-13-23(9-8-19(25)22-20(2,3)4)16-10-15-6-7-17(24)11-18(15)21(14,5)12-16/h6-7,11,14,16,24H,8-10,12-13H2,1-5H3,(H,22,25)/t14-,16?,21+/m0/s1
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372n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326687
PNG
(CHEMBL1254941 | N-(tert-Butyl)-3-[(2R,6R,11R)-8-hy...)
Show SMILES C[C@H]1CN(CCC(=O)NC(C)(C)C)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C21H32N2O2/c1-14-13-23(9-8-19(25)22-20(2,3)4)16-10-15-6-7-17(24)11-18(15)21(14,5)12-16/h6-7,11,14,16,24H,8-10,12-13H2,1-5H3,(H,22,25)/t14-,16?,21+/m0/s1
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422n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326682
PNG
(CHEMBL1254768 | N-Cyclohexyl-3-[(2R,6R,11R)-8-hydr...)
Show SMILES C[C@H]1CN(CCC(=O)NC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C23H34N2O2/c1-16-15-25(11-10-22(27)24-18-6-4-3-5-7-18)19-12-17-8-9-20(26)13-21(17)23(16,2)14-19/h8-9,13,16,18-19,26H,3-7,10-12,14-15H2,1-2H3,(H,24,27)/t16-,19?,23+/m0/s1
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501n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326689
PNG
(CHEMBL1255026 | N-Cyclohexyl-2-[(2R,6R,11R)-8-hydr...)
Show SMILES C[C@H]1CN(CC(=O)NC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C22H32N2O2/c1-15-13-24(14-21(26)23-17-6-4-3-5-7-17)18-10-16-8-9-19(25)11-20(16)22(15,2)12-18/h8-9,11,15,17-18,25H,3-7,10,12-14H2,1-2H3,(H,23,26)/t15-,18?,22+/m0/s1
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612n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326688
PNG
(2-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES C[C@H]1CN(CC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C22H26N2O2/c1-15-13-24(14-21(26)23-17-6-4-3-5-7-17)18-10-16-8-9-19(25)11-20(16)22(15,2)12-18/h3-9,11,15,18,25H,10,12-14H2,1-2H3,(H,23,26)/t15-,18?,22+/m0/s1
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722n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326691
PNG
(2-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES CCN(C(=O)CN1C[C@H](C)[C@@]2(C)C[C@H]1Cc1ccc(O)cc21)c1ccccc1 |r|
Show InChI InChI=1S/C24H30N2O2/c1-4-26(19-8-6-5-7-9-19)23(28)16-25-15-17(2)24(3)14-20(25)12-18-10-11-21(27)13-22(18)24/h5-11,13,17,20,27H,4,12,14-16H2,1-3H3/t17-,20?,24+/m0/s1
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1.12E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326690
PNG
(2-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES C[C@H]1CN(CC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C23H28N2O2/c1-16-14-25(15-22(27)24(3)18-7-5-4-6-8-18)19-11-17-9-10-20(26)12-21(17)23(16,2)13-19/h4-10,12,16,19,26H,11,13-15H2,1-3H3/t16-,19?,23+/m0/s1
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1.37E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
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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1.75E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
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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2.12E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Delta-type 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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2.67E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from Sprague-Dawley rat delta opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326689
PNG
(CHEMBL1255026 | N-Cyclohexyl-2-[(2R,6R,11R)-8-hydr...)
Show SMILES C[C@H]1CN(CC(=O)NC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C22H32N2O2/c1-15-13-24(14-21(26)23-17-6-4-3-5-7-17)18-10-16-8-9-19(25)11-20(16)22(15,2)12-18/h8-9,11,15,17-18,25H,3-7,10,12-14H2,1-2H3,(H,23,26)/t15-,18?,22+/m0/s1
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2.93E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326688
PNG
(2-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES C[C@H]1CN(CC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C22H26N2O2/c1-15-13-24(14-21(26)23-17-6-4-3-5-7-17)18-10-16-8-9-19(25)11-20(16)22(15,2)12-18/h3-9,11,15,18,25H,10,12-14H2,1-2H3,(H,23,26)/t15-,18?,22+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
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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>5.00E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from Sprague-Dawley rat delta opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326691
PNG
(2-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES CCN(C(=O)CN1C[C@H](C)[C@@]2(C)C[C@H]1Cc1ccc(O)cc21)c1ccccc1 |r|
Show InChI InChI=1S/C24H30N2O2/c1-4-26(19-8-6-5-7-9-19)23(28)16-25-15-17(2)24(3)14-20(25)12-18-10-11-21(27)13-22(18)24/h5-11,13,17,20,27H,4,12,14-16H2,1-3H3/t17-,20?,24+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from Sprague-Dawley rat delta opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326690
PNG
(2-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES C[C@H]1CN(CC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C23H28N2O2/c1-16-14-25(15-22(27)24(3)18-7-5-4-6-8-18)19-11-17-9-10-20(26)12-21(17)23(16,2)13-19/h4-10,12,16,19,26H,11,13-15H2,1-3H3/t16-,19?,23+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from Sprague-Dawley rat delta opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326689
PNG
(CHEMBL1255026 | N-Cyclohexyl-2-[(2R,6R,11R)-8-hydr...)
Show SMILES C[C@H]1CN(CC(=O)NC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C22H32N2O2/c1-15-13-24(14-21(26)23-17-6-4-3-5-7-17)18-10-16-8-9-19(25)11-20(16)22(15,2)12-18/h8-9,11,15,17-18,25H,3-7,10,12-14H2,1-2H3,(H,23,26)/t15-,18?,22+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from Sprague-Dawley rat delta opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326688
PNG
(2-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES C[C@H]1CN(CC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C22H26N2O2/c1-15-13-24(14-21(26)23-17-6-4-3-5-7-17)18-10-16-8-9-19(25)11-20(16)22(15,2)12-18/h3-9,11,15,18,25H,10,12-14H2,1-2H3,(H,23,26)/t15-,18?,22+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from Sprague-Dawley rat delta opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326687
PNG
(CHEMBL1254941 | N-(tert-Butyl)-3-[(2R,6R,11R)-8-hy...)
Show SMILES C[C@H]1CN(CCC(=O)NC(C)(C)C)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C21H32N2O2/c1-14-13-23(9-8-19(25)22-20(2,3)4)16-10-15-6-7-17(24)11-18(15)21(14,5)12-16/h6-7,11,14,16,24H,8-10,12-13H2,1-5H3,(H,22,25)/t14-,16?,21+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from Sprague-Dawley rat delta opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326686
PNG
(CHEMBL1254940 | N-(Cyclohexylmethyl)-3-[(2R,6R,11R...)
Show SMILES C[C@H]1CN(CCC(=O)NCC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C24H36N2O2/c1-17-16-26(11-10-23(28)25-15-18-6-4-3-5-7-18)20-12-19-8-9-21(27)13-22(19)24(17,2)14-20/h8-9,13,17-18,20,27H,3-7,10-12,14-16H2,1-2H3,(H,25,28)/t17-,20?,24+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from Sprague-Dawley rat delta opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326684
PNG
(3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES CCN(C(=O)CCN1C[C@H](C)[C@@]2(C)C[C@H]1Cc1ccc(O)cc21)c1ccccc1 |r|
Show InChI InChI=1S/C25H32N2O2/c1-4-27(20-8-6-5-7-9-20)24(29)12-13-26-17-18(2)25(3)16-21(26)14-19-10-11-22(28)15-23(19)25/h5-11,15,18,21,28H,4,12-14,16-17H2,1-3H3/t18-,21?,25+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from Sprague-Dawley rat delta opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326683
PNG
(3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES C[C@H]1CN(CCC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C24H30N2O2/c1-17-16-26(12-11-23(28)25(3)19-7-5-4-6-8-19)20-13-18-9-10-21(27)14-22(18)24(17,2)15-20/h4-10,14,17,20,27H,11-13,15-16H2,1-3H3/t17-,20?,24+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from Sprague-Dawley rat delta opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326682
PNG
(CHEMBL1254768 | N-Cyclohexyl-3-[(2R,6R,11R)-8-hydr...)
Show SMILES C[C@H]1CN(CCC(=O)NC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C23H34N2O2/c1-16-15-25(11-10-22(27)24-18-6-4-3-5-7-18)19-12-17-8-9-20(26)13-21(17)23(16,2)14-19/h8-9,13,16,18-19,26H,3-7,10-12,14-15H2,1-2H3,(H,24,27)/t16-,19?,23+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from Sprague-Dawley rat delta opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic 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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>5.00E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326685
PNG
(CHEMBL1254858 | N-Benzyl-3-[(2R,6R,11R)-8-hydroxy-...)
Show SMILES C[C@H]1CN(CCC(=O)NCc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C24H30N2O2/c1-17-16-26(11-10-23(28)25-15-18-6-4-3-5-7-18)20-12-19-8-9-21(27)13-22(19)24(17,2)14-20/h3-9,13,17,20,27H,10-12,14-16H2,1-2H3,(H,25,28)/t17-,20?,24+/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from Sprague-Dawley rat delta opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic 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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>5.00E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
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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n/an/a 0.140n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
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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n/an/a 3.20n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50326681
PNG
(3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES C[C@H]1CN(CCC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C23H28N2O2/c1-16-15-25(11-10-22(27)24-18-6-4-3-5-7-18)19-12-17-8-9-20(26)13-21(17)23(16,2)14-19/h3-9,13,16,19,26H,10-12,14-15H2,1-2H3,(H,24,27)/t16-,19?,23+/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50326681
PNG
(3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES C[C@H]1CN(CCC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C23H28N2O2/c1-16-15-25(11-10-22(27)24-18-6-4-3-5-7-18)19-12-17-8-9-20(26)13-21(17)23(16,2)14-19/h3-9,13,16,19,26H,10-12,14-15H2,1-2H3,(H,24,27)/t16-,19?,23+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair