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PubMed code 17488103

Compile data set for download or QSAR
Found 56 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))
BDBM50212293
PNG
((1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-...)
Show SMILES Nc1nc2C[C@]34CCN(CC5CC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:15.21.14:22|
Show InChI InChI=1S/C21H25N3OS/c22-20-23-17-10-21-5-6-24(11-12-1-2-12)18(16(21)9-19(17)26-20)7-13-3-4-14(25)8-15(13)21/h3-4,8,12,16,18,25H,1-2,5-7,9-11H2,(H2,22,23)/t16-,18+,21+/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50212293
PNG
((1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-...)
Show SMILES Nc1nc2C[C@]34CCN(CC5CC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:15.21.14:22|
Show InChI InChI=1S/C21H25N3OS/c22-20-23-17-10-21-5-6-24(11-12-1-2-12)18(16(21)9-19(17)26-20)7-13-3-4-14(25)8-15(13)21/h3-4,8,12,16,18,25H,1-2,5-7,9-11H2,(H2,22,23)/t16-,18+,21+/m0/s1
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0.120n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50212297
PNG
((1S,9R,10R)-5-amino-20-(cyclobutylmethyl)-6-thia-4...)
Show SMILES Nc1nc2C[C@]34CCN(CC5CCC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:16.22.15:23|
Show InChI InChI=1S/C22H27N3OS/c23-21-24-18-11-22-6-7-25(12-13-2-1-3-13)19(17(22)10-20(18)27-21)8-14-4-5-15(26)9-16(14)22/h4-5,9,13,17,19,26H,1-3,6-8,10-12H2,(H2,23,24)/t17-,19+,22+/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212291
PNG
((1S,13R,14R)-24-(cyclobutylmethyl)-4,24-diazahexac...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C27H30N2O/c30-19-9-8-18-12-26-23-14-21-20-6-1-2-7-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-4-3-5-17/h1-2,6-9,13,17,23,26,28,30H,3-5,10-12,14-16H2/t23-,26+,27+/m0/s1
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0.170n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212296
PNG
((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.20.5:7|
Show InChI InChI=1S/C26H28N2O/c29-18-8-7-17-11-25-22-13-20-19-3-1-2-4-23(19)27-24(20)14-26(22,21(17)12-18)9-10-28(25)15-16-5-6-16/h1-4,7-8,12,16,22,25,27,29H,5-6,9-11,13-15H2/t22-,25+,26+/m0/s1
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0.190n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212293
PNG
((1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-...)
Show SMILES Nc1nc2C[C@]34CCN(CC5CC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:15.21.14:22|
Show InChI InChI=1S/C21H25N3OS/c22-20-23-17-10-21-5-6-24(11-12-1-2-12)18(16(21)9-19(17)26-20)7-13-3-4-14(25)8-15(13)21/h3-4,8,12,16,18,25H,1-2,5-7,9-11H2,(H2,22,23)/t16-,18+,21+/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212295
PNG
((1S,13R,14R)-24-methyl-4,24-diazahexacyclo[12.7.3....)
Show SMILES CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:19.25.18:16|
Show InChI InChI=1S/C23H24N2O/c1-25-9-8-23-13-21-17(16-4-2-3-5-20(16)24-21)12-19(23)22(25)10-14-6-7-15(26)11-18(14)23/h2-7,11,19,22,24,26H,8-10,12-13H2,1H3/t19-,22+,23+/m0/s1
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0.350n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50212297
PNG
((1S,9R,10R)-5-amino-20-(cyclobutylmethyl)-6-thia-4...)
Show SMILES Nc1nc2C[C@]34CCN(CC5CCC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:16.22.15:23|
Show InChI InChI=1S/C22H27N3OS/c23-21-24-18-11-22-6-7-25(12-13-2-1-3-13)19(17(22)10-20(18)27-21)8-14-4-5-15(26)9-16(14)22/h4-5,9,13,17,19,26H,1-3,6-8,10-12H2,(H2,23,24)/t17-,19+,22+/m0/s1
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0.370n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50212299
PNG
((1S,9R,10R)-5-amino-20-methyl-6-thia-4,20-diazapen...)
Show SMILES CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:16.22.15:13|
Show InChI InChI=1S/C18H21N3OS/c1-21-5-4-18-9-14-16(23-17(19)20-14)8-13(18)15(21)6-10-2-3-11(22)7-12(10)18/h2-3,7,13,15,22H,4-6,8-9H2,1H3,(H2,19,20)/t13-,15+,18+/m0/s1
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0.490n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50212296
PNG
((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.20.5:7|
Show InChI InChI=1S/C26H28N2O/c29-18-8-7-17-11-25-22-13-20-19-3-1-2-4-23(19)27-24(20)14-26(22,21(17)12-18)9-10-28(25)15-16-5-6-16/h1-4,7-8,12,16,22,25,27,29H,5-6,9-11,13-15H2/t22-,25+,26+/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50212291
PNG
((1S,13R,14R)-24-(cyclobutylmethyl)-4,24-diazahexac...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C27H30N2O/c30-19-9-8-18-12-26-23-14-21-20-6-1-2-7-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-4-3-5-17/h1-2,6-9,13,17,23,26,28,30H,3-5,10-12,14-16H2/t23-,26+,27+/m0/s1
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1n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212297
PNG
((1S,9R,10R)-5-amino-20-(cyclobutylmethyl)-6-thia-4...)
Show SMILES Nc1nc2C[C@]34CCN(CC5CCC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:16.22.15:23|
Show InChI InChI=1S/C22H27N3OS/c23-21-24-18-11-22-6-7-25(12-13-2-1-3-13)19(17(22)10-20(18)27-21)8-14-4-5-15(26)9-16(14)22/h4-5,9,13,17,19,26H,1-3,6-8,10-12H2,(H2,23,24)/t17-,19+,22+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50212296
PNG
((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.20.5:7|
Show InChI InChI=1S/C26H28N2O/c29-18-8-7-17-11-25-22-13-20-19-3-1-2-4-23(19)27-24(20)14-26(22,21(17)12-18)9-10-28(25)15-16-5-6-16/h1-4,7-8,12,16,22,25,27,29H,5-6,9-11,13-15H2/t22-,25+,26+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50212292
PNG
((1S,13R,14R)-24-(cyclopropylmethyl)-19-methoxy-4,2...)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.21.6:8|
Show InChI InChI=1S/C27H30N2O/c1-30-19-9-8-18-12-26-23-14-21-20-4-2-3-5-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-6-7-17/h2-5,8-9,13,17,23,26,28H,6-7,10-12,14-16H2,1H3/t23-,26+,27+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212292
PNG
((1S,13R,14R)-24-(cyclopropylmethyl)-19-methoxy-4,2...)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.21.6:8|
Show InChI InChI=1S/C27H30N2O/c1-30-19-9-8-18-12-26-23-14-21-20-4-2-3-5-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-6-7-17/h2-5,8-9,13,17,23,26,28H,6-7,10-12,14-16H2,1H3/t23-,26+,27+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50212299
PNG
((1S,9R,10R)-5-amino-20-methyl-6-thia-4,20-diazapen...)
Show SMILES CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:16.22.15:13|
Show InChI InChI=1S/C18H21N3OS/c1-21-5-4-18-9-14-16(23-17(19)20-14)8-13(18)15(21)6-10-2-3-11(22)7-12(10)18/h2-3,7,13,15,22H,4-6,8-9H2,1H3,(H2,19,20)/t13-,15+,18+/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50212291
PNG
((1S,13R,14R)-24-(cyclobutylmethyl)-4,24-diazahexac...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C27H30N2O/c30-19-9-8-18-12-26-23-14-21-20-6-1-2-7-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-4-3-5-17/h1-2,6-9,13,17,23,26,28,30H,3-5,10-12,14-16H2/t23-,26+,27+/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212299
PNG
((1S,9R,10R)-5-amino-20-methyl-6-thia-4,20-diazapen...)
Show SMILES CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:16.22.15:13|
Show InChI InChI=1S/C18H21N3OS/c1-21-5-4-18-9-14-16(23-17(19)20-14)8-13(18)15(21)6-10-2-3-11(22)7-12(10)18/h2-3,7,13,15,22H,4-6,8-9H2,1H3,(H2,19,20)/t13-,15+,18+/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50212292
PNG
((1S,13R,14R)-24-(cyclopropylmethyl)-19-methoxy-4,2...)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.21.6:8|
Show InChI InChI=1S/C27H30N2O/c1-30-19-9-8-18-12-26-23-14-21-20-4-2-3-5-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-6-7-17/h2-5,8-9,13,17,23,26,28H,6-7,10-12,14-16H2,1H3/t23-,26+,27+/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212298
PNG
((1S,13R,14R)-24-(cyclobutylmethyl)-19-methoxy-4,24...)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.22.6:8|
Show InChI InChI=1S/C28H32N2O/c1-31-20-10-9-19-13-27-24-15-22-21-7-2-3-8-25(21)29-26(22)16-28(24,23(19)14-20)11-12-30(27)17-18-5-4-6-18/h2-3,7-10,14,18,24,27,29H,4-6,11-13,15-17H2,1H3/t24-,27+,28+/m0/s1
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8.70n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50212295
PNG
((1S,13R,14R)-24-methyl-4,24-diazahexacyclo[12.7.3....)
Show SMILES CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:19.25.18:16|
Show InChI InChI=1S/C23H24N2O/c1-25-9-8-23-13-21-17(16-4-2-3-5-20(16)24-21)12-19(23)22(25)10-14-6-7-15(26)11-18(14)23/h2-7,11,19,22,24,26H,8-10,12-13H2,1H3/t19-,22+,23+/m0/s1
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14n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50212295
PNG
((1S,13R,14R)-24-methyl-4,24-diazahexacyclo[12.7.3....)
Show SMILES CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:19.25.18:16|
Show InChI InChI=1S/C23H24N2O/c1-25-9-8-23-13-21-17(16-4-2-3-5-20(16)24-21)12-19(23)22(25)10-14-6-7-15(26)11-18(14)23/h2-7,11,19,22,24,26H,8-10,12-13H2,1H3/t19-,22+,23+/m0/s1
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22n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212294
PNG
((1S,13R,14R)-19-methoxy-24-methyl-4,24-diazahexacy...)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3C)c2c1)[nH]c1ccccc51 |TLB:17:16:5.18.6:8|
Show InChI InChI=1S/C24H26N2O/c1-26-10-9-24-14-22-18(17-5-3-4-6-21(17)25-22)13-20(24)23(26)11-15-7-8-16(27-2)12-19(15)24/h3-8,12,20,23,25H,9-11,13-14H2,1-2H3/t20-,23+,24+/m0/s1
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35n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50212298
PNG
((1S,13R,14R)-24-(cyclobutylmethyl)-19-methoxy-4,24...)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.22.6:8|
Show InChI InChI=1S/C28H32N2O/c1-31-20-10-9-19-13-27-24-15-22-21-7-2-3-8-25(21)29-26(22)16-28(24,23(19)14-20)11-12-30(27)17-18-5-4-6-18/h2-3,7-10,14,18,24,27,29H,4-6,11-13,15-17H2,1H3/t24-,27+,28+/m0/s1
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89n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50212298
PNG
((1S,13R,14R)-24-(cyclobutylmethyl)-19-methoxy-4,24...)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.22.6:8|
Show InChI InChI=1S/C28H32N2O/c1-31-20-10-9-19-13-27-24-15-22-21-7-2-3-8-25(21)29-26(22)16-28(24,23(19)14-20)11-12-30(27)17-18-5-4-6-18/h2-3,7-10,14,18,24,27,29H,4-6,11-13,15-17H2,1H3/t24-,27+,28+/m0/s1
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330n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50212294
PNG
((1S,13R,14R)-19-methoxy-24-methyl-4,24-diazahexacy...)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3C)c2c1)[nH]c1ccccc51 |TLB:17:16:5.18.6:8|
Show InChI InChI=1S/C24H26N2O/c1-26-10-9-24-14-22-18(17-5-3-4-6-21(17)25-22)13-20(24)23(26)11-15-7-8-16(27-2)12-19(15)24/h3-8,12,20,23,25H,9-11,13-14H2,1-2H3/t20-,23+,24+/m0/s1
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340n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50212294
PNG
((1S,13R,14R)-19-methoxy-24-methyl-4,24-diazahexacy...)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3C)c2c1)[nH]c1ccccc51 |TLB:17:16:5.18.6:8|
Show InChI InChI=1S/C24H26N2O/c1-26-10-9-24-14-22-18(17-5-3-4-6-21(17)25-22)13-20(24)23(26)11-15-7-8-16(27-2)12-19(15)24/h3-8,12,20,23,25H,9-11,13-14H2,1-2H3/t20-,23+,24+/m0/s1
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390n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO membrane


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212291
PNG
((1S,13R,14R)-24-(cyclobutylmethyl)-4,24-diazahexac...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C27H30N2O/c30-19-9-8-18-12-26-23-14-21-20-6-1-2-7-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-4-3-5-17/h1-2,6-9,13,17,23,26,28,30H,3-5,10-12,14-16H2/t23-,26+,27+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO membrane assessed as inhibition of SNC80-induced [35S]GTPgammaS binding


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212296
PNG
((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.20.5:7|
Show InChI InChI=1S/C26H28N2O/c29-18-8-7-17-11-25-22-13-20-19-3-1-2-4-23(19)27-24(20)14-26(22,21(17)12-18)9-10-28(25)15-16-5-6-16/h1-4,7-8,12,16,22,25,27,29H,5-6,9-11,13-15H2/t22-,25+,26+/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO membrane assessed as inhibition of SNC80-induced [35S]GTPgammaS binding


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212295
PNG
((1S,13R,14R)-24-methyl-4,24-diazahexacyclo[12.7.3....)
Show SMILES CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:19.25.18:16|
Show InChI InChI=1S/C23H24N2O/c1-25-9-8-23-13-21-17(16-4-2-3-5-20(16)24-21)12-19(23)22(25)10-14-6-7-15(26)11-18(14)23/h2-7,11,19,22,24,26H,8-10,12-13H2,1H3/t19-,22+,23+/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor expressed in CHO membrane assessed as inhibition of SNC80-induced [35S]GTPgammaS binding


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50212293
PNG
((1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-...)
Show SMILES Nc1nc2C[C@]34CCN(CC5CC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:15.21.14:22|
Show InChI InChI=1S/C21H25N3OS/c22-20-23-17-10-21-5-6-24(11-12-1-2-12)18(16(21)9-19(17)26-20)7-13-3-4-14(25)8-15(13)21/h3-4,8,12,16,18,25H,1-2,5-7,9-11H2,(H2,22,23)/t16-,18+,21+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50212296
PNG
((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.20.5:7|
Show InChI InChI=1S/C26H28N2O/c29-18-8-7-17-11-25-22-13-20-19-3-1-2-4-23(19)27-24(20)14-26(22,21(17)12-18)9-10-28(25)15-16-5-6-16/h1-4,7-8,12,16,22,25,27,29H,5-6,9-11,13-15H2/t22-,25+,26+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50212296
PNG
((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.20.5:7|
Show InChI InChI=1S/C26H28N2O/c29-18-8-7-17-11-25-22-13-20-19-3-1-2-4-23(19)27-24(20)14-26(22,21(17)12-18)9-10-28(25)15-16-5-6-16/h1-4,7-8,12,16,22,25,27,29H,5-6,9-11,13-15H2/t22-,25+,26+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO membrane assessed as inhibition of U50488-induced [35S]GTPgammaS binding


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50212297
PNG
((1S,9R,10R)-5-amino-20-(cyclobutylmethyl)-6-thia-4...)
Show SMILES Nc1nc2C[C@]34CCN(CC5CCC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:16.22.15:23|
Show InChI InChI=1S/C22H27N3OS/c23-21-24-18-11-22-6-7-25(12-13-2-1-3-13)19(17(22)10-20(18)27-21)8-14-4-5-15(26)9-16(14)22/h4-5,9,13,17,19,26H,1-3,6-8,10-12H2,(H2,23,24)/t17-,19+,22+/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50212297
PNG
((1S,9R,10R)-5-amino-20-(cyclobutylmethyl)-6-thia-4...)
Show SMILES Nc1nc2C[C@]34CCN(CC5CCC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:16.22.15:23|
Show InChI InChI=1S/C22H27N3OS/c23-21-24-18-11-22-6-7-25(12-13-2-1-3-13)19(17(22)10-20(18)27-21)8-14-4-5-15(26)9-16(14)22/h4-5,9,13,17,19,26H,1-3,6-8,10-12H2,(H2,23,24)/t17-,19+,22+/m0/s1
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n/an/a 93n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO membrane assessed as inhibition of U50488-induced [35S]GTPgammaS binding


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50212292
PNG
((1S,13R,14R)-24-(cyclopropylmethyl)-19-methoxy-4,2...)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.21.6:8|
Show InChI InChI=1S/C27H30N2O/c1-30-19-9-8-18-12-26-23-14-21-20-4-2-3-5-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-6-7-17/h2-5,8-9,13,17,23,26,28H,6-7,10-12,14-16H2,1H3/t23-,26+,27+/m0/s1
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n/an/a 440n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO membrane assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212295
PNG
((1S,13R,14R)-24-methyl-4,24-diazahexacyclo[12.7.3....)
Show SMILES CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:19.25.18:16|
Show InChI InChI=1S/C23H24N2O/c1-25-9-8-23-13-21-17(16-4-2-3-5-20(16)24-21)12-19(23)22(25)10-14-6-7-15(26)11-18(14)23/h2-7,11,19,22,24,26H,8-10,12-13H2,1H3/t19-,22+,23+/m0/s1
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n/an/an/an/a 0.470n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212297
PNG
((1S,9R,10R)-5-amino-20-(cyclobutylmethyl)-6-thia-4...)
Show SMILES Nc1nc2C[C@]34CCN(CC5CCC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:16.22.15:23|
Show InChI InChI=1S/C22H27N3OS/c23-21-24-18-11-22-6-7-25(12-13-2-1-3-13)19(17(22)10-20(18)27-21)8-14-4-5-15(26)9-16(14)22/h4-5,9,13,17,19,26H,1-3,6-8,10-12H2,(H2,23,24)/t17-,19+,22+/m0/s1
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n/an/an/an/a 2.5n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50212291
PNG
((1S,13R,14R)-24-(cyclobutylmethyl)-4,24-diazahexac...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C27H30N2O/c30-19-9-8-18-12-26-23-14-21-20-6-1-2-7-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-4-3-5-17/h1-2,6-9,13,17,23,26,28,30H,3-5,10-12,14-16H2/t23-,26+,27+/m0/s1
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n/an/an/an/a 110n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212291
PNG
((1S,13R,14R)-24-(cyclobutylmethyl)-4,24-diazahexac...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C27H30N2O/c30-19-9-8-18-12-26-23-14-21-20-6-1-2-7-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-4-3-5-17/h1-2,6-9,13,17,23,26,28,30H,3-5,10-12,14-16H2/t23-,26+,27+/m0/s1
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n/an/an/an/a 0.800n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50212296
PNG
((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.20.5:7|
Show InChI InChI=1S/C26H28N2O/c29-18-8-7-17-11-25-22-13-20-19-3-1-2-4-23(19)27-24(20)14-26(22,21(17)12-18)9-10-28(25)15-16-5-6-16/h1-4,7-8,12,16,22,25,27,29H,5-6,9-11,13-15H2/t22-,25+,26+/m0/s1
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n/an/an/an/a 61n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212292
PNG
((1S,13R,14R)-24-(cyclopropylmethyl)-19-methoxy-4,2...)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.21.6:8|
Show InChI InChI=1S/C27H30N2O/c1-30-19-9-8-18-12-26-23-14-21-20-4-2-3-5-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-6-7-17/h2-5,8-9,13,17,23,26,28H,6-7,10-12,14-16H2,1H3/t23-,26+,27+/m0/s1
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n/an/an/an/a 1.5n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50212297
PNG
((1S,9R,10R)-5-amino-20-(cyclobutylmethyl)-6-thia-4...)
Show SMILES Nc1nc2C[C@]34CCN(CC5CCC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:16.22.15:23|
Show InChI InChI=1S/C22H27N3OS/c23-21-24-18-11-22-6-7-25(12-13-2-1-3-13)19(17(22)10-20(18)27-21)8-14-4-5-15(26)9-16(14)22/h4-5,9,13,17,19,26H,1-3,6-8,10-12H2,(H2,23,24)/t17-,19+,22+/m0/s1
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n/an/an/an/a 2.60n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212296
PNG
((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.20.5:7|
Show InChI InChI=1S/C26H28N2O/c29-18-8-7-17-11-25-22-13-20-19-3-1-2-4-23(19)27-24(20)14-26(22,21(17)12-18)9-10-28(25)15-16-5-6-16/h1-4,7-8,12,16,22,25,27,29H,5-6,9-11,13-15H2/t22-,25+,26+/m0/s1
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n/an/an/an/a 0.160n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212299
PNG
((1S,9R,10R)-5-amino-20-methyl-6-thia-4,20-diazapen...)
Show SMILES CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:16.22.15:13|
Show InChI InChI=1S/C18H21N3OS/c1-21-5-4-18-9-14-16(23-17(19)20-14)8-13(18)15(21)6-10-2-3-11(22)7-12(10)18/h2-3,7,13,15,22H,4-6,8-9H2,1H3,(H2,19,20)/t13-,15+,18+/m0/s1
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n/an/an/an/a 8.40n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50212297
PNG
((1S,9R,10R)-5-amino-20-(cyclobutylmethyl)-6-thia-4...)
Show SMILES Nc1nc2C[C@]34CCN(CC5CCC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:16.22.15:23|
Show InChI InChI=1S/C22H27N3OS/c23-21-24-18-11-22-6-7-25(12-13-2-1-3-13)19(17(22)10-20(18)27-21)8-14-4-5-15(26)9-16(14)22/h4-5,9,13,17,19,26H,1-3,6-8,10-12H2,(H2,23,24)/t17-,19+,22+/m0/s1
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n/an/an/an/a 2.60n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212293
PNG
((1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-...)
Show SMILES Nc1nc2C[C@]34CCN(CC5CC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:15.21.14:22|
Show InChI InChI=1S/C21H25N3OS/c22-20-23-17-10-21-5-6-24(11-12-1-2-12)18(16(21)9-19(17)26-20)7-13-3-4-14(25)8-15(13)21/h3-4,8,12,16,18,25H,1-2,5-7,9-11H2,(H2,22,23)/t16-,18+,21+/m0/s1
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n/an/an/an/a 0.170n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50212298
PNG
((1S,13R,14R)-24-(cyclobutylmethyl)-19-methoxy-4,24...)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.22.6:8|
Show InChI InChI=1S/C28H32N2O/c1-31-20-10-9-19-13-27-24-15-22-21-7-2-3-8-25(21)29-26(22)16-28(24,23(19)14-20)11-12-30(27)17-18-5-4-6-18/h2-3,7-10,14,18,24,27,29H,4-6,11-13,15-17H2,1H3/t24-,27+,28+/m0/s1
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n/an/an/an/a 23n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50212292
PNG
((1S,13R,14R)-24-(cyclopropylmethyl)-19-methoxy-4,2...)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.21.6:8|
Show InChI InChI=1S/C27H30N2O/c1-30-19-9-8-18-12-26-23-14-21-20-4-2-3-5-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-6-7-17/h2-5,8-9,13,17,23,26,28H,6-7,10-12,14-16H2,1H3/t23-,26+,27+/m0/s1
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n/an/an/an/a 1.70n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50212292
PNG
((1S,13R,14R)-24-(cyclopropylmethyl)-19-methoxy-4,2...)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:17:16:5.21.6:8|
Show InChI InChI=1S/C27H30N2O/c1-30-19-9-8-18-12-26-23-14-21-20-4-2-3-5-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-6-7-17/h2-5,8-9,13,17,23,26,28H,6-7,10-12,14-16H2,1H3/t23-,26+,27+/m0/s1
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n/an/an/an/a 24n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50212291
PNG
((1S,13R,14R)-24-(cyclobutylmethyl)-4,24-diazahexac...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CCC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C27H30N2O/c30-19-9-8-18-12-26-23-14-21-20-6-1-2-7-24(20)28-25(21)15-27(23,22(18)13-19)10-11-29(26)16-17-4-3-5-17/h1-2,6-9,13,17,23,26,28,30H,3-5,10-12,14-16H2/t23-,26+,27+/m0/s1
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n/an/an/an/a 190n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO membrane assessed as inhibition of U50488-induced [35S]GTP-gamma-S binding


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50212293
PNG
((1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-...)
Show SMILES Nc1nc2C[C@]34CCN(CC5CC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:15.21.14:22|
Show InChI InChI=1S/C21H25N3OS/c22-20-23-17-10-21-5-6-24(11-12-1-2-12)18(16(21)9-19(17)26-20)7-13-3-4-14(25)8-15(13)21/h3-4,8,12,16,18,25H,1-2,5-7,9-11H2,(H2,22,23)/t16-,18+,21+/m0/s1
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n/an/an/an/a 0.340n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO membrane assessed as inhibition of U50488-induced [35S]GTP-gamma-S binding


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50212293
PNG
((1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-...)
Show SMILES Nc1nc2C[C@]34CCN(CC5CC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:15.21.14:22|
Show InChI InChI=1S/C21H25N3OS/c22-20-23-17-10-21-5-6-24(11-12-1-2-12)18(16(21)9-19(17)26-20)7-13-3-4-14(25)8-15(13)21/h3-4,8,12,16,18,25H,1-2,5-7,9-11H2,(H2,22,23)/t16-,18+,21+/m0/s1
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n/an/an/an/a 0.400n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50212299
PNG
((1S,9R,10R)-5-amino-20-methyl-6-thia-4,20-diazapen...)
Show SMILES CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:16.22.15:13|
Show InChI InChI=1S/C18H21N3OS/c1-21-5-4-18-9-14-16(23-17(19)20-14)8-13(18)15(21)6-10-2-3-11(22)7-12(10)18/h2-3,7,13,15,22H,4-6,8-9H2,1H3,(H2,19,20)/t13-,15+,18+/m0/s1
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n/an/an/an/a 140n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50212296
PNG
((1S,13R,14R)-24-(cyclopropylmethyl)-4,24-diazahexa...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4Cc5c(C[C@]4(CCN3CC3CC3)c2c1)[nH]c1ccccc51 |TLB:16:15:4.20.5:7|
Show InChI InChI=1S/C26H28N2O/c29-18-8-7-17-11-25-22-13-20-19-3-1-2-4-23(19)27-24(20)14-26(22,21(17)12-18)9-10-28(25)15-16-5-6-16/h1-4,7-8,12,16,22,25,27,29H,5-6,9-11,13-15H2/t22-,25+,26+/m0/s1
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n/an/an/an/a 92n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50212299
PNG
((1S,9R,10R)-5-amino-20-methyl-6-thia-4,20-diazapen...)
Show SMILES CN1CC[C@]23Cc4nc(N)sc4C[C@H]2[C@H]1Cc1ccc(O)cc31 |TLB:0:1:16.22.15:13|
Show InChI InChI=1S/C18H21N3OS/c1-21-5-4-18-9-14-16(23-17(19)20-14)8-13(18)15(21)6-10-2-3-11(22)7-12(10)18/h2-3,7,13,15,22H,4-6,8-9H2,1H3,(H2,19,20)/t13-,15+,18+/m0/s1
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n/an/an/an/a 21n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in CHO membrane assessed as inhibition of U50488-induced [35S]GTP-gamma-S binding


J Med Chem 50: 2747-51 (2007)


Article DOI: 10.1021/jm0701674
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%