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PubMed code 17407276

Compile data set for download or QSAR
Found 45 hits of Enzyme Inhibition Constant Data   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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PubMed
0.0790n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human opioid kappa receptor expressed in CHO cells


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50209670
PNG
(17-(cyclopropylmethyl)morphinan-3-yl(5alpha)-17-(c...)
Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:53:52:41.58.42:44|
Show InChI InChI=1S/C51H66N2O7/c54-41-21-23-51(57)43-29-36-18-20-42(47-46(36)50(51,48(41)60-47)25-27-53(43)32-34-15-16-34)59-45(56)14-6-4-2-1-3-5-13-44(55)58-37-19-17-35-28-40-38-12-7-8-22-49(38,39(35)30-37)24-26-52(40)31-33-10-9-11-33/h17-20,30,33-34,38,40,43,48,57H,1-16,21-29,31-32H2/t38?,40-,43-,48+,49-,50+,51-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human opioid kappa receptor expressed in CHO cells


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027231
PNG
(CHEMBL2113275)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5(O)CCC2=O)ccc3OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@]3([H])C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:55:54:42.60.43:46,61:60:46:54.52.53,THB:10:9:5.4.6:16|
Show InChI InChI=1S/C50H64N2O7/c1-2-26-51-28-25-49-45-35-18-20-41(46(45)59-47(49)40(53)21-23-50(49,56)42(51)30-35)58-44(55)16-8-6-4-3-5-7-15-43(54)57-36-19-17-34-29-39-37-14-9-10-22-48(37,38(34)31-36)24-27-52(39)32-33-12-11-13-33/h2,17-20,31,33,37,39,42,47,56H,1,3-16,21-30,32H2/t37?,39-,42-,47+,48-,49+,50-/m1/s1
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0.130n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human opioid kappa receptor expressed in CHO cells


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
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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0.230n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human opioid gamma receptor expressed in CHO cells


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as inhibition of DAGO-stimulated [35S]GTPgammaS binding


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Kappa-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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0.25n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human opioid kappa receptor expressed in CHO cells


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50209670
PNG
(17-(cyclopropylmethyl)morphinan-3-yl(5alpha)-17-(c...)
Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:53:52:41.58.42:44|
Show InChI InChI=1S/C51H66N2O7/c54-41-21-23-51(57)43-29-36-18-20-42(47-46(36)50(51,48(41)60-47)25-27-53(43)32-34-15-16-34)59-45(56)14-6-4-2-1-3-5-13-44(55)58-37-19-17-35-28-40-38-12-7-8-22-49(38,39(35)30-37)24-26-52(40)31-33-10-9-11-33/h17-20,30,33-34,38,40,43,48,57H,1-16,21-29,31-32H2/t38?,40-,43-,48+,49-,50+,51-/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as inhibition of DAGO-stimulated [35S]GTPgammaS binding


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50209671
PNG
((5alpha,6alpha)-17-(cyclobutylmethyl)-6,14-dihydro...)
Show SMILES O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(OC(=O)CCCCCCCCC(=O)Oc5ccc6C[C@@H]7C8CCCC[C@]8(CCN7CC7CCC7)c6c5)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |TLB:41:40:29.46.30:32|
Show InChI InChI=1S/C52H70N2O7/c55-42-22-24-52(58)44-30-37-19-21-43(48-47(37)51(52,49(42)61-48)26-28-54(44)33-35-13-10-14-35)60-46(57)17-6-4-2-1-3-5-16-45(56)59-38-20-18-36-29-41-39-15-7-8-23-50(39,40(36)31-38)25-27-53(41)32-34-11-9-12-34/h18-21,31,34-35,39,41-42,44,49,55,58H,1-17,22-30,32-33H2/t39?,41-,42-,44-,49+,50-,51+,52-/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human opioid kappa receptor expressed in CHO cells


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027231
PNG
(CHEMBL2113275)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5(O)CCC2=O)ccc3OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@]3([H])C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:55:54:42.60.43:46,61:60:46:54.52.53,THB:10:9:5.4.6:16|
Show InChI InChI=1S/C50H64N2O7/c1-2-26-51-28-25-49-45-35-18-20-41(46(45)59-47(49)40(53)21-23-50(49,56)42(51)30-35)58-44(55)16-8-6-4-3-5-7-15-43(54)57-36-19-17-34-29-39-37-14-9-10-22-48(37,38(34)31-36)24-27-52(39)32-33-12-11-13-33/h2,17-20,31,33,37,39,42,47,56H,1,3-16,21-30,32H2/t37?,39-,42-,47+,48-,49+,50-/m1/s1
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0.430n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human opioid gamma receptor expressed in CHO cells


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50209671
PNG
((5alpha,6alpha)-17-(cyclobutylmethyl)-6,14-dihydro...)
Show SMILES O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(OC(=O)CCCCCCCCC(=O)Oc5ccc6C[C@@H]7C8CCCC[C@]8(CCN7CC7CCC7)c6c5)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |TLB:41:40:29.46.30:32|
Show InChI InChI=1S/C52H70N2O7/c55-42-22-24-52(58)44-30-37-19-21-43(48-47(37)51(52,49(42)61-48)26-28-54(44)33-35-13-10-14-35)60-46(57)17-6-4-2-1-3-5-16-45(56)59-38-20-18-36-29-41-39-15-7-8-23-50(39,40(36)31-38)25-27-53(41)32-34-11-9-12-34/h18-21,31,34-35,39,41-42,44,49,55,58H,1-17,22-30,32-33H2/t39?,41-,42-,44-,49+,50-,51+,52-/m1/s1
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0.460n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as inhibition of DAGO-stimulated [35S]GTPgammaS binding


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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0.790n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as inhibition of DAGO-stimulated [35S]GTPgammaS binding


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50105085
PNG
(17-cyclobutylmethyl-4,5alpha-epoxymorphinan-3,6alp...)
Show SMILES O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r|
Show InChI InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1
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0.890n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human opioid gamma receptor expressed in CHO cells


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human opioid kappa receptor expressed in CHO cells


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50105085
PNG
(17-cyclobutylmethyl-4,5alpha-epoxymorphinan-3,6alp...)
Show SMILES O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r|
Show InChI InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human opioid kappa receptor expressed in CHO cells


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human opioid delta receptor expressed in CHO cells


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50209670
PNG
(17-(cyclopropylmethyl)morphinan-3-yl(5alpha)-17-(c...)
Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:53:52:41.58.42:44|
Show InChI InChI=1S/C51H66N2O7/c54-41-21-23-51(57)43-29-36-18-20-42(47-46(36)50(51,48(41)60-47)25-27-53(43)32-34-15-16-34)59-45(56)14-6-4-2-1-3-5-13-44(55)58-37-19-17-35-28-40-38-12-7-8-22-49(38,39(35)30-37)24-26-52(40)31-33-10-9-11-33/h17-20,30,33-34,38,40,43,48,57H,1-16,21-29,31-32H2/t38?,40-,43-,48+,49-,50+,51-/m1/s1
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15n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human opioid delta receptor expressed in CHO cells


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50209671
PNG
((5alpha,6alpha)-17-(cyclobutylmethyl)-6,14-dihydro...)
Show SMILES O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(OC(=O)CCCCCCCCC(=O)Oc5ccc6C[C@@H]7C8CCCC[C@]8(CCN7CC7CCC7)c6c5)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |TLB:41:40:29.46.30:32|
Show InChI InChI=1S/C52H70N2O7/c55-42-22-24-52(58)44-30-37-19-21-43(48-47(37)51(52,49(42)61-48)26-28-54(44)33-35-13-10-14-35)60-46(57)17-6-4-2-1-3-5-16-45(56)59-38-20-18-36-29-41-39-15-7-8-23-50(39,40(36)31-38)25-27-53(41)32-34-11-9-12-34/h18-21,31,34-35,39,41-42,44,49,55,58H,1-17,22-30,32-33H2/t39?,41-,42-,44-,49+,50-,51+,52-/m1/s1
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28n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human opioid delta receptor expressed in CHO cells


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Delta-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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38n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human opioid delta receptor expressed in CHO cells


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027231
PNG
(CHEMBL2113275)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5(O)CCC2=O)ccc3OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@]3([H])C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:55:54:42.60.43:46,61:60:46:54.52.53,THB:10:9:5.4.6:16|
Show InChI InChI=1S/C50H64N2O7/c1-2-26-51-28-25-49-45-35-18-20-41(46(45)59-47(49)40(53)21-23-50(49,56)42(51)30-35)58-44(55)16-8-6-4-3-5-7-15-43(54)57-36-19-17-34-29-39-37-14-9-10-22-48(37,38(34)31-36)24-27-52(39)32-33-12-11-13-33/h2,17-20,31,33,37,39,42,47,56H,1,3-16,21-30,32H2/t37?,39-,42-,47+,48-,49+,50-/m1/s1
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39n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human opioid delta receptor expressed in CHO cells


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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76n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human opioid delta receptor expressed in CHO cells


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50105085
PNG
(17-cyclobutylmethyl-4,5alpha-epoxymorphinan-3,6alp...)
Show SMILES O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r|
Show InChI InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1
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240n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human opioid delta receptor expressed in CHO cells


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
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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n/an/a 17n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as inhibition of DAGO-stimulated [35S]GTPgammaS binding


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50209671
PNG
((5alpha,6alpha)-17-(cyclobutylmethyl)-6,14-dihydro...)
Show SMILES O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(OC(=O)CCCCCCCCC(=O)Oc5ccc6C[C@@H]7C8CCCC[C@]8(CCN7CC7CCC7)c6c5)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |TLB:41:40:29.46.30:32|
Show InChI InChI=1S/C52H70N2O7/c55-42-22-24-52(58)44-30-37-19-21-43(48-47(37)51(52,49(42)61-48)26-28-54(44)33-35-13-10-14-35)60-46(57)17-6-4-2-1-3-5-16-45(56)59-38-20-18-36-29-41-39-15-7-8-23-50(39,40(36)31-38)25-27-53(41)32-34-11-9-12-34/h18-21,31,34-35,39,41-42,44,49,55,58H,1-17,22-30,32-33H2/t39?,41-,42-,44-,49+,50-,51+,52-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as inhibition of DAGO-stimulated [35S]GTPgammaS binding


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as inhibition of DAGO-stimulated [35S]GTPgammaS binding


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as inhibition of DAGO-stimulated [35S]GTPgammaS binding


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027231
PNG
(CHEMBL2113275)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5(O)CCC2=O)ccc3OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@]3([H])C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:55:54:42.60.43:46,61:60:46:54.52.53,THB:10:9:5.4.6:16|
Show InChI InChI=1S/C50H64N2O7/c1-2-26-51-28-25-49-45-35-18-20-41(46(45)59-47(49)40(53)21-23-50(49,56)42(51)30-35)58-44(55)16-8-6-4-3-5-7-15-43(54)57-36-19-17-34-29-39-37-14-9-10-22-48(37,38(34)31-36)24-27-52(39)32-33-12-11-13-33/h2,17-20,31,33,37,39,42,47,56H,1,3-16,21-30,32H2/t37?,39-,42-,47+,48-,49+,50-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as inhibition of DAGO-stimulated [35S]GTPgammaS binding


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50105085
PNG
(17-cyclobutylmethyl-4,5alpha-epoxymorphinan-3,6alp...)
Show SMILES O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r|
Show InChI InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as inhibition of DAGO-stimulated [35S]GTPgammaS binding


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50209670
PNG
(17-(cyclopropylmethyl)morphinan-3-yl(5alpha)-17-(c...)
Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:53:52:41.58.42:44|
Show InChI InChI=1S/C51H66N2O7/c54-41-21-23-51(57)43-29-36-18-20-42(47-46(36)50(51,48(41)60-47)25-27-53(43)32-34-15-16-34)59-45(56)14-6-4-2-1-3-5-13-44(55)58-37-19-17-35-28-40-38-12-7-8-22-49(38,39(35)30-37)24-26-52(40)31-33-10-9-11-33/h17-20,30,33-34,38,40,43,48,57H,1-16,21-29,31-32H2/t38?,40-,43-,48+,49-,50+,51-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as inhibition of DAGO-stimulated [35S]GTPgammaS binding


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Kappa-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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n/an/a 200n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human opioid kappa receptor expressed in CHO cells assessed as inhibition of U-50488-stimulated [35S]GTP-gamma-S binding


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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n/an/a 320n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human opioid kappa receptor expressed in CHO cells assessed as inhibition of U-50488-stimulated [35S]GTP-gamma-S binding


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50209671
PNG
((5alpha,6alpha)-17-(cyclobutylmethyl)-6,14-dihydro...)
Show SMILES O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(OC(=O)CCCCCCCCC(=O)Oc5ccc6C[C@@H]7C8CCCC[C@]8(CCN7CC7CCC7)c6c5)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |TLB:41:40:29.46.30:32|
Show InChI InChI=1S/C52H70N2O7/c55-42-22-24-52(58)44-30-37-19-21-43(48-47(37)51(52,49(42)61-48)26-28-54(44)33-35-13-10-14-35)60-46(57)17-6-4-2-1-3-5-16-45(56)59-38-20-18-36-29-41-39-15-7-8-23-50(39,40(36)31-38)25-27-53(41)32-34-11-9-12-34/h18-21,31,34-35,39,41-42,44,49,55,58H,1-17,22-30,32-33H2/t39?,41-,42-,44-,49+,50-,51+,52-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human opioid kappa receptor expressed in CHO cells assessed as inhibition of U-50488-stimulated [35S]GTP-gamma-S binding


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027231
PNG
(CHEMBL2113275)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5(O)CCC2=O)ccc3OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@]3([H])C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:55:54:42.60.43:46,61:60:46:54.52.53,THB:10:9:5.4.6:16|
Show InChI InChI=1S/C50H64N2O7/c1-2-26-51-28-25-49-45-35-18-20-41(46(45)59-47(49)40(53)21-23-50(49,56)42(51)30-35)58-44(55)16-8-6-4-3-5-7-15-43(54)57-36-19-17-34-29-39-37-14-9-10-22-48(37,38(34)31-36)24-27-52(39)32-33-12-11-13-33/h2,17-20,31,33,37,39,42,47,56H,1,3-16,21-30,32H2/t37?,39-,42-,47+,48-,49+,50-/m1/s1
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n/an/an/an/a 2n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(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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n/an/an/an/a 46n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50209670
PNG
(17-(cyclopropylmethyl)morphinan-3-yl(5alpha)-17-(c...)
Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:53:52:41.58.42:44|
Show InChI InChI=1S/C51H66N2O7/c54-41-21-23-51(57)43-29-36-18-20-42(47-46(36)50(51,48(41)60-47)25-27-53(43)32-34-15-16-34)59-45(56)14-6-4-2-1-3-5-13-44(55)58-37-19-17-35-28-40-38-12-7-8-22-49(38,39(35)30-37)24-26-52(40)31-33-10-9-11-33/h17-20,30,33-34,38,40,43,48,57H,1-16,21-29,31-32H2/t38?,40-,43-,48+,49-,50+,51-/m1/s1
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n/an/an/an/a 4.40n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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n/an/an/an/a 1.30n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50180185
PNG
(10-{[(1R,9R)-17-(cyclobutylmethyl)-17-azatetracycl...)
Show SMILES OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C31H45NO4/c33-29(34)13-5-3-1-2-4-6-14-30(35)36-25-16-15-24-20-28-26-12-7-8-17-31(26,27(24)21-25)18-19-32(28)22-23-10-9-11-23/h15-16,21,23,26,28H,1-14,17-20,22H2,(H,33,34)/t26?,28-,31-/m1/s1
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n/an/an/an/a 28n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50209671
PNG
((5alpha,6alpha)-17-(cyclobutylmethyl)-6,14-dihydro...)
Show SMILES O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(OC(=O)CCCCCCCCC(=O)Oc5ccc6C[C@@H]7C8CCCC[C@]8(CCN7CC7CCC7)c6c5)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |TLB:41:40:29.46.30:32|
Show InChI InChI=1S/C52H70N2O7/c55-42-22-24-52(58)44-30-37-19-21-43(48-47(37)51(52,49(42)61-48)26-28-54(44)33-35-13-10-14-35)60-46(57)17-6-4-2-1-3-5-16-45(56)59-38-20-18-36-29-41-39-15-7-8-23-50(39,40(36)31-38)25-27-53(41)32-34-11-9-12-34/h18-21,31,34-35,39,41-42,44,49,55,58H,1-17,22-30,32-33H2/t39?,41-,42-,44-,49+,50-,51+,52-/m1/s1
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n/an/an/an/a 3.20n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50209670
PNG
(17-(cyclopropylmethyl)morphinan-3-yl(5alpha)-17-(c...)
Show SMILES O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:53:52:41.58.42:44|
Show InChI InChI=1S/C51H66N2O7/c54-41-21-23-51(57)43-29-36-18-20-42(47-46(36)50(51,48(41)60-47)25-27-53(43)32-34-15-16-34)59-45(56)14-6-4-2-1-3-5-13-44(55)58-37-19-17-35-28-40-38-12-7-8-22-49(38,39(35)30-37)24-26-52(40)31-33-10-9-11-33/h17-20,30,33-34,38,40,43,48,57H,1-16,21-29,31-32H2/t38?,40-,43-,48+,49-,50+,51-/m1/s1
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n/an/an/an/a 3.40n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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n/an/an/an/a 1.60n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50105085
PNG
(17-cyclobutylmethyl-4,5alpha-epoxymorphinan-3,6alp...)
Show SMILES O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r|
Show InChI InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1
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n/an/an/an/a 14n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50105085
PNG
(17-cyclobutylmethyl-4,5alpha-epoxymorphinan-3,6alp...)
Show SMILES O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |r|
Show InChI InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1
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n/an/an/an/a 27n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50180185
PNG
(10-{[(1R,9R)-17-(cyclobutylmethyl)-17-azatetracycl...)
Show SMILES OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C31H45NO4/c33-29(34)13-5-3-1-2-4-6-14-30(35)36-25-16-15-24-20-28-26-12-7-8-17-31(26,27(24)21-25)18-19-32(28)22-23-10-9-11-23/h15-16,21,23,26,28H,1-14,17-20,22H2,(H,33,34)/t26?,28-,31-/m1/s1
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n/an/an/an/a 3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027231
PNG
(CHEMBL2113275)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5(O)CCC2=O)ccc3OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@]3([H])C4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:55:54:42.60.43:46,61:60:46:54.52.53,THB:10:9:5.4.6:16|
Show InChI InChI=1S/C50H64N2O7/c1-2-26-51-28-25-49-45-35-18-20-41(46(45)59-47(49)40(53)21-23-50(49,56)42(51)30-35)58-44(55)16-8-6-4-3-5-7-15-43(54)57-36-19-17-34-29-39-37-14-9-10-22-48(37,38(34)31-36)24-27-52(39)32-33-12-11-13-33/h2,17-20,31,33,37,39,42,47,56H,1,3-16,21-30,32H2/t37?,39-,42-,47+,48-,49+,50-/m1/s1
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n/an/an/an/a 1.60n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
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/an/an/a 110n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human opioid gamma receptor expressed in CHO cells assessed as stimulation of [35S]GTP-gamma-S binding


J Med Chem 50: 2254-8 (2007)


Article DOI: 10.1021/jm061327z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%