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Compile Data Set for Download or QSAR

Found 112 hits with Last Name = 'nieland' and Initial = 'np'   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027230
PNG
(CHEMBL2113666)
Show SMILES [H][C@@]12Oc3cccc4C[C@@]5([H])N(C)CC[C@@]1(c34)[C@]5(CCC2=O)NC(=O)\C=C\c1ccccc1Cl |r,THB:12:11:17:8.7.16|
Show InChI InChI=1/C26H25ClN2O3/c1-29-14-13-25-23-17-6-4-8-20(23)32-24(25)19(30)11-12-26(25,21(29)15-17)28-22(31)10-9-16-5-2-3-7-18(16)27/h2-10,21,24H,11-15H2,1H3,(H,28,31)/b10-9+/t21-,24+,25+,26-/s2
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0.0800n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant DOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


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


(Homo sapiens (Human))
BDBM50193546
PNG
(14beta-(2'-methylcinnamoylamino)-7,8-dihydromorphi...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)\C=C\c1ccccc1C)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C27H28N2O4/c1-16-5-3-4-6-17(16)8-10-22(32)28-27-12-11-20(31)25-26(27)13-14-29(2)21(27)15-18-7-9-19(30)24(33-25)23(18)26/h3-10,21,25,30H,11-15H2,1-2H3,(H,28,32)/b10-8+/t21?,25-,26-,27+/m0/s1
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0.110n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant DOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027230
PNG
(CHEMBL2113666)
Show SMILES [H][C@@]12Oc3cccc4C[C@@]5([H])N(C)CC[C@@]1(c34)[C@]5(CCC2=O)NC(=O)\C=C\c1ccccc1Cl |r,THB:12:11:17:8.7.16|
Show InChI InChI=1/C26H25ClN2O3/c1-29-14-13-25-23-17-6-4-8-20(23)32-24(25)19(30)11-12-26(25,21(29)15-17)28-22(31)10-9-16-5-2-3-7-18(16)27/h2-10,21,24H,11-15H2,1H3,(H,28,31)/b10-9+/t21-,24+,25+,26-/s2
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0.150n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50033649
PNG
(1N-[10-hydroxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-...)
Show SMILES CN1CCC23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc5O |TLB:17:12:8.9.10:1.3.2,THB:0:1:12:8.9.10,7:8:12:1.3.2|
Show InChI InChI=1S/C26H25N3O6/c1-28-13-12-25-22-16-5-8-18(30)23(22)35-24(25)19(31)10-11-26(25,20(28)14-16)27-21(32)9-4-15-2-6-17(7-3-15)29(33)34/h2-9,20,24,30H,10-14H2,1H3,(H,27,32)/b9-4+/t20?,24-,25?,26+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


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


J Med Chem 49: 5333-8 (2006)


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


(GUINEA PIG)
BDBM50193536
PNG
(N-cyclopropylmethyl-14beta-(2'-methylcinnamoylamin...)
Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1C |TLB:4:5:24:8.14.13,18:19:24:8.14.13|
Show InChI InChI=1S/C31H34N2O4/c1-19-5-3-4-6-21(19)10-12-26(35)32-31-14-13-23(34)29-30(31)15-16-33(18-20-7-8-20)25(31)17-22-9-11-24(36-2)28(37-29)27(22)30/h3-6,9-12,20,25,29H,7-8,13-18H2,1-2H3,(H,32,35)/b12-10+/t25?,29-,30-,31+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to MOR in guinea pig brain membrane


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50193546
PNG
(14beta-(2'-methylcinnamoylamino)-7,8-dihydromorphi...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)\C=C\c1ccccc1C)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C27H28N2O4/c1-16-5-3-4-6-17(16)8-10-22(32)28-27-12-11-20(31)25-26(27)13-14-29(2)21(27)15-18-7-9-19(30)24(33-25)23(18)26/h3-10,21,25,30H,11-15H2,1-2H3,(H,28,32)/b10-8+/t21?,25-,26-,27+/m0/s1
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0.210n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50193546
PNG
(14beta-(2'-methylcinnamoylamino)-7,8-dihydromorphi...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)\C=C\c1ccccc1C)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C27H28N2O4/c1-16-5-3-4-6-17(16)8-10-22(32)28-27-12-11-20(31)25-26(27)13-14-29(2)21(27)15-18-7-9-19(30)24(33-25)23(18)26/h3-10,21,25,30H,11-15H2,1-2H3,(H,28,32)/b10-8+/t21?,25-,26-,27+/m0/s1
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0.230n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant KOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50195678
PNG
((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C29H31ClN2O3/c30-21-8-5-18(6-9-21)2-1-14-31-29-12-11-23(34)27-28(29)13-15-32(17-19-3-4-19)24(29)16-20-7-10-22(33)26(35-27)25(20)28/h1-2,5-10,19,24,27,31,33H,3-4,11-17H2/b2-1+/t24-,27+,28+,29-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50193542
PNG
(17-methyl-4'-methyldihydromorphinone)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)\C=C\c1ccc(C)cc1)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C27H28N2O4/c1-16-3-5-17(6-4-16)7-10-22(32)28-27-12-11-20(31)25-26(27)13-14-29(2)21(27)15-18-8-9-19(30)24(33-25)23(18)26/h3-10,21,25,30H,11-15H2,1-2H3,(H,28,32)/b10-7+/t21?,25-,26-,27+/m0/s1
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0.340n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


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


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50193544
PNG
(N-[(1R,13R,17S)-10-hydroxy-4-methyl-14-oxo-12-oxa-...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)CCc1ccc(C)cc1)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C27H30N2O4/c1-16-3-5-17(6-4-16)7-10-22(32)28-27-12-11-20(31)25-26(27)13-14-29(2)21(27)15-18-8-9-19(30)24(33-25)23(18)26/h3-6,8-9,21,25,30H,7,10-15H2,1-2H3,(H,28,32)/t21?,25-,26-,27+/m0/s1
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0.350n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


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


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50193549
PNG
(14beta-(2'-methylcinnamoylamino)-7,8-dihydrocodein...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1C |TLB:4:5:21:8.11.10,15:16:21:8.11.10|
Show InChI InChI=1S/C28H30N2O4/c1-17-6-4-5-7-18(17)9-11-23(32)29-28-13-12-20(31)26-27(28)14-15-30(2)22(28)16-19-8-10-21(33-3)25(34-26)24(19)27/h4-11,22,26H,12-16H2,1-3H3,(H,29,32)/b11-9+/t22?,26-,27-,28+/m0/s1
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0.400n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant KOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


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


(Homo sapiens (Human))
BDBM50193549
PNG
(14beta-(2'-methylcinnamoylamino)-7,8-dihydrocodein...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1C |TLB:4:5:21:8.11.10,15:16:21:8.11.10|
Show InChI InChI=1S/C28H30N2O4/c1-17-6-4-5-7-18(17)9-11-23(32)29-28-13-12-20(31)26-27(28)14-15-30(2)22(28)16-19-8-10-21(33-3)25(34-26)24(19)27/h4-11,22,26H,12-16H2,1-3H3,(H,29,32)/b11-9+/t22?,26-,27-,28+/m0/s1
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0.420n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant DOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50193540
PNG
(14beta-(4'-methylcinnamoylamino)-7,8-dihydrocodein...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(C)cc1 |TLB:4:5:21:8.11.10,15:16:21:8.11.10|
Show InChI InChI=1S/C28H30N2O4/c1-17-4-6-18(7-5-17)8-11-23(32)29-28-13-12-20(31)26-27(28)14-15-30(2)22(28)16-19-9-10-21(33-3)25(34-26)24(19)27/h4-11,22,26H,12-16H2,1-3H3,(H,29,32)/b11-8+/t22?,26-,27-,28+/m0/s1
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0.490n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


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


(Homo sapiens (Human))
BDBM50033649
PNG
(1N-[10-hydroxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-...)
Show SMILES CN1CCC23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc5O |TLB:17:12:8.9.10:1.3.2,THB:0:1:12:8.9.10,7:8:12:1.3.2|
Show InChI InChI=1S/C26H25N3O6/c1-28-13-12-25-22-16-5-8-18(30)23(22)35-24(25)19(31)10-11-26(25,20(28)14-16)27-21(32)9-4-15-2-6-17(7-3-15)29(33)34/h2-9,20,24,30H,10-14H2,1H3,(H,27,32)/b9-4+/t20?,24-,25?,26+/m0/s1
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0.540n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant DOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50027230
PNG
(CHEMBL2113666)
Show SMILES [H][C@@]12Oc3cccc4C[C@@]5([H])N(C)CC[C@@]1(c34)[C@]5(CCC2=O)NC(=O)\C=C\c1ccccc1Cl |r,THB:12:11:17:8.7.16|
Show InChI InChI=1/C26H25ClN2O3/c1-29-14-13-25-23-17-6-4-8-20(23)32-24(25)19(30)11-12-26(25,21(29)15-17)28-22(31)10-9-16-5-2-3-7-18(16)27/h2-10,21,24H,11-15H2,1H3,(H,28,31)/b10-9+/t21-,24+,25+,26-/s2
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0.540n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant KOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50193544
PNG
(N-[(1R,13R,17S)-10-hydroxy-4-methyl-14-oxo-12-oxa-...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)CCc1ccc(C)cc1)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C27H30N2O4/c1-16-3-5-17(6-4-16)7-10-22(32)28-27-12-11-20(31)25-26(27)13-14-29(2)21(27)15-18-8-9-19(30)24(33-25)23(18)26/h3-6,8-9,21,25,30H,7,10-15H2,1-2H3,(H,28,32)/t21?,25-,26-,27+/m0/s1
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0.570n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant KOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


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


(Homo sapiens (Human))
BDBM50193547
PNG
(14beta-(2'-chlorocinnamoylamino)-7,8-dihydrocodein...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1Cl |TLB:4:5:21:8.11.10,15:16:21:8.11.10|
Show InChI InChI=1S/C27H27ClN2O4/c1-30-14-13-26-23-17-7-9-20(33-2)24(23)34-25(26)19(31)11-12-27(26,21(30)15-17)29-22(32)10-8-16-5-3-4-6-18(16)28/h3-10,21,25H,11-15H2,1-2H3,(H,29,32)/b10-8+/t21?,25-,26-,27+/m0/s1
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0.580n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant DOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


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


(GUINEA PIG)
BDBM50193543
PNG
(N-cyclopropylmethyl-14beta-(2'-chlorocinnamoylamin...)
Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1Cl |TLB:4:5:24:8.14.13,18:19:24:8.14.13|
Show InChI InChI=1S/C30H31ClN2O4/c1-36-23-10-8-20-16-24-30(32-25(35)11-9-19-4-2-3-5-21(19)31)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-18-6-7-18/h2-5,8-11,18,24,28H,6-7,12-17H2,1H3,(H,32,35)/b11-9+/t24?,28-,29-,30+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to MOR in guinea pig brain membrane


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50193538
PNG
(14beta-(4'-chlorocinnamoylamino)-7,8-dihydrocodein...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |TLB:4:5:21:8.11.10,15:16:21:8.11.10|
Show InChI InChI=1S/C27H27ClN2O4/c1-30-14-13-26-23-17-6-9-20(33-2)24(23)34-25(26)19(31)11-12-27(26,21(30)15-17)29-22(32)10-5-16-3-7-18(28)8-4-16/h3-10,21,25H,11-15H2,1-2H3,(H,29,32)/b10-5+/t21?,25-,26-,27+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


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


(Homo sapiens (Human))
BDBM50195678
PNG
((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C29H31ClN2O3/c30-21-8-5-18(6-9-21)2-1-14-31-29-12-11-23(34)27-28(29)13-15-32(17-19-3-4-19)24(29)16-20-7-10-22(33)26(35-27)25(20)28/h1-2,5-10,19,24,27,31,33H,3-4,11-17H2/b2-1+/t24-,27+,28+,29-/m1/s1
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0.630n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human recombinant delta opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50193547
PNG
(14beta-(2'-chlorocinnamoylamino)-7,8-dihydrocodein...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1Cl |TLB:4:5:21:8.11.10,15:16:21:8.11.10|
Show InChI InChI=1S/C27H27ClN2O4/c1-30-14-13-26-23-17-7-9-20(33-2)24(23)34-25(26)19(31)11-12-27(26,21(30)15-17)29-22(32)10-8-16-5-3-4-6-18(16)28/h3-10,21,25H,11-15H2,1-2H3,(H,29,32)/b10-8+/t21?,25-,26-,27+/m0/s1
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0.680n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50195677
PNG
((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN2O3/c1-35-24-11-8-21-17-25-30(32-15-2-3-19-6-9-22(31)10-7-19)13-12-23(34)28-29(30,26(21)27(24)36-28)14-16-33(25)18-20-4-5-20/h2-3,6-11,20,25,28,32H,4-5,12-18H2,1H3/b3-2+/t25-,28+,29+,30-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50193548
PNG
(N-cyclopropylmethyl-14beta-(2'-chlorocinnamoylamin...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1Cl |TLB:3:4:23:7.13.12,17:18:23:7.13.12|
Show InChI InChI=1S/C29H29ClN2O4/c30-20-4-2-1-3-18(20)8-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-17-5-6-17)23(29)15-19-7-9-21(33)26(36-27)25(19)28/h1-4,7-10,17,23,27,33H,5-6,11-16H2,(H,31,35)/b10-8+/t23?,27-,28-,29+/m0/s1
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0.710n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


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


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50193545
PNG
(N-cyclopropylmethyl-14beta-(2'-methylcinnamoylamin...)
Show SMILES Cc1ccccc1\C=C\C(=O)N[C@]12CCC(=O)[C@@H]3Oc4c5c(CC1N(CC1CC1)CC[C@@]235)ccc4O |THB:32:21:12:24.30.29,19:20:12:24.30.29|
Show InChI InChI=1S/C30H32N2O4/c1-18-4-2-3-5-20(18)9-11-25(35)31-30-13-12-23(34)28-29(30)14-15-32(17-19-6-7-19)24(30)16-21-8-10-22(33)27(36-28)26(21)29/h2-5,8-11,19,24,28,33H,6-7,12-17H2,1H3,(H,31,35)/b11-9+/t24?,28-,29-,30+/m0/s1
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0.720n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


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


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50195678
PNG
((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C29H31ClN2O3/c30-21-8-5-18(6-9-21)2-1-14-31-29-12-11-23(34)27-28(29)13-15-32(17-19-3-4-19)24(29)16-20-7-10-22(33)26(35-27)25(20)28/h1-2,5-10,19,24,27,31,33H,3-4,11-17H2/b2-1+/t24-,27+,28+,29-/m1/s1
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0.910n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50299727
PNG
(CHEMBL574175 | N-Cyclopropylmethyl-14beta-[3'-(4''...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCC#Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H29ClN2O3/c30-21-8-5-18(6-9-21)2-1-14-31-29-12-11-23(34)27-28(29)13-15-32(17-19-3-4-19)24(29)16-20-7-10-22(33)26(35-27)25(20)28/h5-10,19,24,27,31,33H,3-4,11-17H2/t24-,27+,28+,29-/m1/s1
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0.970n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50193538
PNG
(14beta-(4'-chlorocinnamoylamino)-7,8-dihydrocodein...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |TLB:4:5:21:8.11.10,15:16:21:8.11.10|
Show InChI InChI=1S/C27H27ClN2O4/c1-30-14-13-26-23-17-6-9-20(33-2)24(23)34-25(26)19(31)11-12-27(26,21(30)15-17)29-22(32)10-5-16-3-7-18(28)8-4-16/h3-10,21,25H,11-15H2,1-2H3,(H,29,32)/b10-5+/t21?,25-,26-,27+/m0/s1
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1n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant DOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50299728
PNG
(CHEMBL575682 | N-Cyclopropylmethyl-14beta-[phenylp...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C29H28N2O4/c32-21-10-9-20-16-23-29(30-24(34)11-8-18-4-2-1-3-5-18)13-12-22(33)27-28(29,25(20)26(21)35-27)14-15-31(23)17-19-6-7-19/h1-5,9-10,19,23,27,32H,6-7,12-17H2,(H,30,34)/t23-,27+,28+,29-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50193548
PNG
(N-cyclopropylmethyl-14beta-(2'-chlorocinnamoylamin...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1Cl |TLB:3:4:23:7.13.12,17:18:23:7.13.12|
Show InChI InChI=1S/C29H29ClN2O4/c30-20-4-2-1-3-18(20)8-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-17-5-6-17)23(29)15-19-7-9-21(33)26(36-27)25(19)28/h1-4,7-10,17,23,27,33H,5-6,11-16H2,(H,31,35)/b10-8+/t23?,27-,28-,29+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant DOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


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


(Homo sapiens (Human))
BDBM50193544
PNG
(N-[(1R,13R,17S)-10-hydroxy-4-methyl-14-oxo-12-oxa-...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)CCc1ccc(C)cc1)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C27H30N2O4/c1-16-3-5-17(6-4-16)7-10-22(32)28-27-12-11-20(31)25-26(27)13-14-29(2)21(27)15-18-8-9-19(30)24(33-25)23(18)26/h3-6,8-9,21,25,30H,7,10-15H2,1-2H3,(H,28,32)/t21?,25-,26-,27+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant DOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


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


(Homo sapiens (Human))
BDBM50193545
PNG
(N-cyclopropylmethyl-14beta-(2'-methylcinnamoylamin...)
Show SMILES Cc1ccccc1\C=C\C(=O)N[C@]12CCC(=O)[C@@H]3Oc4c5c(CC1N(CC1CC1)CC[C@@]235)ccc4O |THB:32:21:12:24.30.29,19:20:12:24.30.29|
Show InChI InChI=1S/C30H32N2O4/c1-18-4-2-3-5-20(18)9-11-25(35)31-30-13-12-23(34)28-29(30)14-15-32(17-19-6-7-19)24(30)16-21-8-10-22(33)27(36-28)26(21)29/h2-5,8-11,19,24,28,33H,6-7,12-17H2,1H3,(H,31,35)/b11-9+/t24?,28-,29-,30+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant DOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50299728
PNG
(CHEMBL575682 | N-Cyclopropylmethyl-14beta-[phenylp...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C29H28N2O4/c32-21-10-9-20-16-23-29(30-24(34)11-8-18-4-2-1-3-5-18)13-12-22(33)27-28(29,25(20)26(21)35-27)14-15-31(23)17-19-6-7-19/h1-5,9-10,19,23,27,32H,6-7,12-17H2,(H,30,34)/t23-,27+,28+,29-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50195656
PNG
(14beta-4'-Chlorocinnamoylaminodihydronormorphinone...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H29ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35)/b10-5+/t23-,27+,28+,29-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant KOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50195656
PNG
(14beta-4'-Chlorocinnamoylaminodihydronormorphinone...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H29ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35)/b10-5+/t23-,27+,28+,29-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50299729
PNG
(CHEMBL575451 | N-Cyclopropylmethyl-14beta-[phenylp...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C30H30N2O4/c1-35-23-11-10-21-17-24-30(31-25(34)12-9-19-5-3-2-4-6-19)14-13-22(33)28-29(30,26(21)27(23)36-28)15-16-32(24)18-20-7-8-20/h2-6,10-11,20,24,28H,7-8,13-18H2,1H3,(H,31,34)/t24-,28+,29+,30-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50193542
PNG
(17-methyl-4'-methyldihydromorphinone)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)\C=C\c1ccc(C)cc1)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C27H28N2O4/c1-16-3-5-17(6-4-16)7-10-22(32)28-27-12-11-20(31)25-26(27)13-14-29(2)21(27)15-18-8-9-19(30)24(33-25)23(18)26/h3-10,21,25,30H,11-15H2,1-2H3,(H,28,32)/b10-7+/t21?,25-,26-,27+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant KOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50193545
PNG
(N-cyclopropylmethyl-14beta-(2'-methylcinnamoylamin...)
Show SMILES Cc1ccccc1\C=C\C(=O)N[C@]12CCC(=O)[C@@H]3Oc4c5c(CC1N(CC1CC1)CC[C@@]235)ccc4O |THB:32:21:12:24.30.29,19:20:12:24.30.29|
Show InChI InChI=1S/C30H32N2O4/c1-18-4-2-3-5-20(18)9-11-25(35)31-30-13-12-23(34)28-29(30)14-15-32(17-19-6-7-19)24(30)16-21-8-10-22(33)27(36-28)26(21)29/h2-5,8-11,19,24,28,33H,6-7,12-17H2,1H3,(H,31,35)/b11-9+/t24?,28-,29-,30+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant KOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


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


(Homo sapiens (Human))
BDBM50299728
PNG
(CHEMBL575682 | N-Cyclopropylmethyl-14beta-[phenylp...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C29H28N2O4/c32-21-10-9-20-16-23-29(30-24(34)11-8-18-4-2-1-3-5-18)13-12-22(33)27-28(29,25(20)26(21)35-27)14-15-31(23)17-19-6-7-19/h1-5,9-10,19,23,27,32H,6-7,12-17H2,(H,30,34)/t23-,27+,28+,29-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human recombinant delta opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50193536
PNG
(N-cyclopropylmethyl-14beta-(2'-methylcinnamoylamin...)
Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1C |TLB:4:5:24:8.14.13,18:19:24:8.14.13|
Show InChI InChI=1S/C31H34N2O4/c1-19-5-3-4-6-21(19)10-12-26(35)32-31-14-13-23(34)29-30(31)15-16-33(18-20-7-8-20)25(31)17-22-9-11-24(36-2)28(37-29)27(22)30/h3-6,9-12,20,25,29H,7-8,13-18H2,1-2H3,(H,32,35)/b12-10+/t25?,29-,30-,31+/m0/s1
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2.10n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to KOR in guinea pig brain membrane


J Med Chem 49: 5333-8 (2006)


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


(Homo sapiens (Human))
BDBM50193536
PNG
(N-cyclopropylmethyl-14beta-(2'-methylcinnamoylamin...)
Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1C |TLB:4:5:24:8.14.13,18:19:24:8.14.13|
Show InChI InChI=1S/C31H34N2O4/c1-19-5-3-4-6-21(19)10-12-26(35)32-31-14-13-23(34)29-30(31)15-16-33(18-20-7-8-20)25(31)17-22-9-11-24(36-2)28(37-29)27(22)30/h3-6,9-12,20,25,29H,7-8,13-18H2,1-2H3,(H,32,35)/b12-10+/t25?,29-,30-,31+/m0/s1
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2.30n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to DOR in guinea pig brain membrane


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50193549
PNG
(14beta-(2'-methylcinnamoylamino)-7,8-dihydrocodein...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1C |TLB:4:5:21:8.11.10,15:16:21:8.11.10|
Show InChI InChI=1S/C28H30N2O4/c1-17-6-4-5-7-18(17)9-11-23(32)29-28-13-12-20(31)26-27(28)14-15-30(2)22(28)16-19-8-10-21(33-3)25(34-26)24(19)27/h4-11,22,26H,12-16H2,1-3H3,(H,29,32)/b11-9+/t22?,26-,27-,28+/m0/s1
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2.30n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant KOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


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


(Cavia porcellus (domestic guinea pig))
BDBM50193543
PNG
(N-cyclopropylmethyl-14beta-(2'-chlorocinnamoylamin...)
Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1Cl |TLB:4:5:24:8.14.13,18:19:24:8.14.13|
Show InChI InChI=1S/C30H31ClN2O4/c1-36-23-10-8-20-16-24-30(32-25(35)11-9-19-4-2-3-5-21(19)31)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-18-6-7-18/h2-5,8-11,18,24,28H,6-7,12-17H2,1H3,(H,32,35)/b11-9+/t24?,28-,29-,30+/m0/s1
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2.40n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to KOR in guinea pig brain membrane


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50193548
PNG
(N-cyclopropylmethyl-14beta-(2'-chlorocinnamoylamin...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1Cl |TLB:3:4:23:7.13.12,17:18:23:7.13.12|
Show InChI InChI=1S/C29H29ClN2O4/c30-20-4-2-1-3-18(20)8-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-17-5-6-17)23(29)15-19-7-9-21(33)26(36-27)25(19)28/h1-4,7-10,17,23,27,33H,5-6,11-16H2,(H,31,35)/b10-8+/t23?,27-,28-,29+/m0/s1
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2.40n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant KOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50193547
PNG
(14beta-(2'-chlorocinnamoylamino)-7,8-dihydrocodein...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1Cl |TLB:4:5:21:8.11.10,15:16:21:8.11.10|
Show InChI InChI=1S/C27H27ClN2O4/c1-30-14-13-26-23-17-7-9-20(33-2)24(23)34-25(26)19(31)11-12-27(26,21(30)15-17)29-22(32)10-8-16-5-3-4-6-18(16)28/h3-10,21,25H,11-15H2,1-2H3,(H,29,32)/b10-8+/t21?,25-,26-,27+/m0/s1
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2.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant KOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


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


(Homo sapiens (Human))
BDBM50195656
PNG
(14beta-4'-Chlorocinnamoylaminodihydronormorphinone...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H29ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35)/b10-5+/t23-,27+,28+,29-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human recombinant delta opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50195656
PNG
(14beta-4'-Chlorocinnamoylaminodihydronormorphinone...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H29ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35)/b10-5+/t23-,27+,28+,29-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant DOR expressed in CHO cells


J Med Chem 49: 5333-8 (2006)


Article DOI: 10.1021/jm0604777
BindingDB Entry DOI: 10.7270/Q2WH2QSM
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50299730
PNG
(CHEMBL574397 | N-Cyclopropylmethyl-14beta-[4'-chlo...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H27ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-4,6-9,18,23,27,33H,1-2,11-16H2,(H,31,35)/t23-,27+,28+,29-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
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