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PubMed code 26048798

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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50106348
PNG
(CHEMBL610012)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C27H26N2O3/c30-20-8-7-17-12-21-27(31)13-18-11-16-3-1-2-4-19(16)28-23(18)25-26(27,22(17)24(20)32-25)9-10-29(21)14-15-5-6-15/h1-4,7-8,11,15,21,25,30-31H,5-6,9-10,12-14H2/t21-,25+,26+,27-/s2
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0.407n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50370067
PNG
(CHEMBL1237164)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
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0.457n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50106352
PNG
(CHEMBL3596364)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCC)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:29:6:17:10.15.14,4:5:17:10.15.14|
Show InChI InChI=1/C25H26N2O3.ClH/c1-2-10-27-11-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(13-25(24,29)19(27)12-14)15-5-3-4-6-17(15)26-21;/h3-8,19,23,26,28-29H,2,9-13H2,1H3;1H/t19-,23+,24+,25-;/s2
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1.10n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50106344
PNG
(CHEMBL3596365)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCF)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:29:6:17:10.15.14,4:5:17:10.15.14|
Show InChI InChI=1/C24H23FN2O3.ClH/c25-8-10-27-9-7-23-19-13-5-6-17(28)21(19)30-22(23)20-15(12-24(23,29)18(27)11-13)14-3-1-2-4-16(14)26-20;/h1-6,18,22,26,28-29H,7-12H2;1H/t18-,22+,23+,24-;/s2
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1.90n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50106353
PNG
(CHEMBL3596363)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:28:6:16:10.14.13,4:5:16:10.14.13|
Show InChI InChI=1/C24H24N2O3.ClH/c1-2-26-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(26)11-13)14-5-3-4-6-16(14)25-20;/h3-8,18,22,25,27-28H,2,9-12H2,1H3;1H/t18-,22+,23+,24-;/s2
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2.70n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50106350
PNG
(CHEMBL3596369)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCC)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:17:10.15.14,30:6:17:10.15.14|
Show InChI InChI=1/C26H26N2O3.ClH/c1-2-10-28-11-9-25-21-16-7-8-19(29)23(21)31-24(25)22-17(14-26(25,30)20(28)13-16)12-15-5-3-4-6-18(15)27-22;/h3-8,12,20,24,29-30H,2,9-11,13-14H2,1H3;1H/t20-,24+,25+,26-;/s2
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2.80n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50106351
PNG
(CHEMBL3596370)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCF)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:17:10.15.14,30:6:17:10.15.14|
Show InChI InChI=1/C25H23FN2O3.ClH/c26-8-10-28-9-7-24-20-15-5-6-18(29)22(20)31-23(24)21-16(13-25(24,30)19(28)12-15)11-14-3-1-2-4-17(14)27-21;/h1-6,11,19,23,29-30H,7-10,12-13H2;1H/t19-,23+,24+,25-;/s2
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5.60n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50106349
PNG
(CHEMBL3596368)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:16:10.14.13,29:6:16:10.14.13|
Show InChI InChI=1/C25H24N2O3.ClH/c1-2-27-10-9-24-20-15-7-8-18(28)22(20)30-23(24)21-16(13-25(24,29)19(27)12-15)11-14-5-3-4-6-17(14)26-21;/h3-8,11,19,23,28-29H,2,9-10,12-13H2,1H3;1H/t19-,23+,24+,25-;/s2
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8.90n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50106348
PNG
(CHEMBL610012)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C27H26N2O3/c30-20-8-7-17-12-21-27(31)13-18-11-16-3-1-2-4-19(16)28-23(18)25-26(27,22(17)24(20)32-25)9-10-29(21)14-15-5-6-15/h1-4,7-8,11,15,21,25,30-31H,5-6,9-10,12-14H2/t21-,25+,26+,27-/s2
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11n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50370067
PNG
(CHEMBL1237164)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
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15n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50106346
PNG
(CHEMBL3596366)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)F)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:30:6:18:10.16.15,4:5:18:10.16.15|
Show InChI InChI=1/C24H22F2N2O3.ClH/c25-18(26)11-28-8-7-23-19-12-5-6-16(29)21(19)31-22(23)20-14(10-24(23,30)17(28)9-12)13-3-1-2-4-15(13)27-20;/h1-6,17-18,22,27,29-30H,7-11H2;1H/t17-,22+,23+,24-;/s2
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16n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50106355
PNG
(CHEMBL3596371)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)F)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:18:10.16.15,31:6:18:10.16.15|
Show InChI InChI=1/C25H22F2N2O3.ClH/c26-19(27)12-29-8-7-24-20-14-5-6-17(30)22(20)32-23(24)21-15(11-25(24,31)18(29)10-14)9-13-3-1-2-4-16(13)28-21;/h1-6,9,18-19,23,30-31H,7-8,10-12H2;1H/t18-,23+,24+,25-;/s2
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18n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50106348
PNG
(CHEMBL610012)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C27H26N2O3/c30-20-8-7-17-12-21-27(31)13-18-11-16-3-1-2-4-19(16)28-23(18)25-26(27,22(17)24(20)32-25)9-10-29(21)14-15-5-6-15/h1-4,7-8,11,15,21,25,30-31H,5-6,9-10,12-14H2/t21-,25+,26+,27-/s2
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21n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50370067
PNG
(CHEMBL1237164)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
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31n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50106354
PNG
(CHEMBL3596372)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)(F)F)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:19:10.17.16,32:6:19:10.17.16|
Show InChI InChI=1/C25H21F3N2O3.ClH/c26-25(27,28)12-30-8-7-23-19-14-5-6-17(31)21(19)33-22(23)20-15(11-24(23,32)18(30)10-14)9-13-3-1-2-4-16(13)29-20;/h1-6,9,18,22,31-32H,7-8,10-12H2;1H/t18-,22+,23+,24-;/s2
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38n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50106352
PNG
(CHEMBL3596364)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCC)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:29:6:17:10.15.14,4:5:17:10.15.14|
Show InChI InChI=1/C25H26N2O3.ClH/c1-2-10-27-11-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(13-25(24,29)19(27)12-14)15-5-3-4-6-17(15)26-21;/h3-8,19,23,26,28-29H,2,9-13H2,1H3;1H/t19-,23+,24+,25-;/s2
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74n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50106350
PNG
(CHEMBL3596369)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCC)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:17:10.15.14,30:6:17:10.15.14|
Show InChI InChI=1/C26H26N2O3.ClH/c1-2-10-28-11-9-25-21-16-7-8-19(29)23(21)31-24(25)22-17(14-26(25,30)20(28)13-16)12-15-5-3-4-6-18(15)27-22;/h3-8,12,20,24,29-30H,2,9-11,13-14H2,1H3;1H/t20-,24+,25+,26-;/s2
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123n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50106352
PNG
(CHEMBL3596364)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCC)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:29:6:17:10.15.14,4:5:17:10.15.14|
Show InChI InChI=1/C25H26N2O3.ClH/c1-2-10-27-11-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(13-25(24,29)19(27)12-14)15-5-3-4-6-17(15)26-21;/h3-8,19,23,26,28-29H,2,9-13H2,1H3;1H/t19-,23+,24+,25-;/s2
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133n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50106347
PNG
(CHEMBL3596367)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)(F)F)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:31:6:19:10.17.16,4:5:19:10.17.16|
Show InChI InChI=1/C24H21F3N2O3.ClH/c25-24(26,27)11-29-8-7-22-18-12-5-6-16(30)20(18)32-21(22)19-14(10-23(22,31)17(29)9-12)13-3-1-2-4-15(13)28-19;/h1-6,17,21,28,30-31H,7-11H2;1H/t17-,21+,22+,23-;/s2
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134n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50106350
PNG
(CHEMBL3596369)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCC)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:17:10.15.14,30:6:17:10.15.14|
Show InChI InChI=1/C26H26N2O3.ClH/c1-2-10-28-11-9-25-21-16-7-8-19(29)23(21)31-24(25)22-17(14-26(25,30)20(28)13-16)12-15-5-3-4-6-18(15)27-22;/h3-8,12,20,24,29-30H,2,9-11,13-14H2,1H3;1H/t20-,24+,25+,26-;/s2
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313n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50106344
PNG
(CHEMBL3596365)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCF)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:29:6:17:10.15.14,4:5:17:10.15.14|
Show InChI InChI=1/C24H23FN2O3.ClH/c25-8-10-27-9-7-23-19-13-5-6-17(28)21(19)30-22(23)20-15(12-24(23,29)18(27)11-13)14-3-1-2-4-16(14)26-20;/h1-6,18,22,26,28-29H,7-12H2;1H/t18-,22+,23+,24-;/s2
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397n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50106351
PNG
(CHEMBL3596370)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCF)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:17:10.15.14,30:6:17:10.15.14|
Show InChI InChI=1/C25H23FN2O3.ClH/c26-8-10-28-9-7-24-20-15-5-6-18(29)22(20)31-23(24)21-16(13-25(24,30)19(28)12-15)11-14-3-1-2-4-17(14)27-21;/h1-6,11,19,23,29-30H,7-10,12-13H2;1H/t19-,23+,24+,25-;/s2
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422n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50106353
PNG
(CHEMBL3596363)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:28:6:16:10.14.13,4:5:16:10.14.13|
Show InChI InChI=1/C24H24N2O3.ClH/c1-2-26-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(26)11-13)14-5-3-4-6-16(14)25-20;/h3-8,18,22,25,27-28H,2,9-12H2,1H3;1H/t18-,22+,23+,24-;/s2
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468n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50106349
PNG
(CHEMBL3596368)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:16:10.14.13,29:6:16:10.14.13|
Show InChI InChI=1/C25H24N2O3.ClH/c1-2-27-10-9-24-20-15-7-8-18(28)22(20)30-23(24)21-16(13-25(24,29)19(27)12-15)11-14-5-3-4-6-17(14)26-21;/h3-8,11,19,23,28-29H,2,9-10,12-13H2,1H3;1H/t19-,23+,24+,25-;/s2
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477n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50106349
PNG
(CHEMBL3596368)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:16:10.14.13,29:6:16:10.14.13|
Show InChI InChI=1/C25H24N2O3.ClH/c1-2-27-10-9-24-20-15-7-8-18(28)22(20)30-23(24)21-16(13-25(24,29)19(27)12-15)11-14-5-3-4-6-17(14)26-21;/h3-8,11,19,23,28-29H,2,9-10,12-13H2,1H3;1H/t19-,23+,24+,25-;/s2
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670n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50106344
PNG
(CHEMBL3596365)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCF)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:29:6:17:10.15.14,4:5:17:10.15.14|
Show InChI InChI=1/C24H23FN2O3.ClH/c25-8-10-27-9-7-23-19-13-5-6-17(28)21(19)30-22(23)20-15(12-24(23,29)18(27)11-13)14-3-1-2-4-16(14)26-20;/h1-6,18,22,26,28-29H,7-12H2;1H/t18-,22+,23+,24-;/s2
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675n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50106353
PNG
(CHEMBL3596363)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:28:6:16:10.14.13,4:5:16:10.14.13|
Show InChI InChI=1/C24H24N2O3.ClH/c1-2-26-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(26)11-13)14-5-3-4-6-16(14)25-20;/h3-8,18,22,25,27-28H,2,9-12H2,1H3;1H/t18-,22+,23+,24-;/s2
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788n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50106351
PNG
(CHEMBL3596370)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCF)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:17:10.15.14,30:6:17:10.15.14|
Show InChI InChI=1/C25H23FN2O3.ClH/c26-8-10-28-9-7-24-20-15-5-6-18(29)22(20)31-23(24)21-16(13-25(24,30)19(28)12-15)11-14-3-1-2-4-17(14)27-21;/h1-6,11,19,23,29-30H,7-10,12-13H2;1H/t19-,23+,24+,25-;/s2
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854n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50106347
PNG
(CHEMBL3596367)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)(F)F)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:31:6:19:10.17.16,4:5:19:10.17.16|
Show InChI InChI=1/C24H21F3N2O3.ClH/c25-24(26,27)11-29-8-7-22-18-12-5-6-16(30)20(18)32-21(22)19-14(10-23(22,31)17(29)9-12)13-3-1-2-4-15(13)28-19;/h1-6,17,21,28,30-31H,7-11H2;1H/t17-,21+,22+,23-;/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50106354
PNG
(CHEMBL3596372)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)(F)F)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:19:10.17.16,32:6:19:10.17.16|
Show InChI InChI=1/C25H21F3N2O3.ClH/c26-25(27,28)12-30-8-7-23-19-14-5-6-17(31)21(19)33-22(23)20-15(11-24(23,32)18(30)10-14)9-13-3-1-2-4-16(13)29-20;/h1-6,9,18,22,31-32H,7-8,10-12H2;1H/t18-,22+,23+,24-;/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50106347
PNG
(CHEMBL3596367)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)(F)F)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:31:6:19:10.17.16,4:5:19:10.17.16|
Show InChI InChI=1/C24H21F3N2O3.ClH/c25-24(26,27)11-29-8-7-22-18-12-5-6-16(30)20(18)32-21(22)19-14(10-23(22,31)17(29)9-12)13-3-1-2-4-15(13)28-19;/h1-6,17,21,28,30-31H,7-11H2;1H/t17-,21+,22+,23-;/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50106354
PNG
(CHEMBL3596372)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)(F)F)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:19:10.17.16,32:6:19:10.17.16|
Show InChI InChI=1/C25H21F3N2O3.ClH/c26-25(27,28)12-30-8-7-23-19-14-5-6-17(31)21(19)33-22(23)20-15(11-24(23,32)18(30)10-14)9-13-3-1-2-4-16(13)29-20;/h1-6,9,18,22,31-32H,7-8,10-12H2;1H/t18-,22+,23+,24-;/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50106355
PNG
(CHEMBL3596371)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)F)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:18:10.16.15,31:6:18:10.16.15|
Show InChI InChI=1/C25H22F2N2O3.ClH/c26-19(27)12-29-8-7-24-20-14-5-6-17(30)22(20)32-23(24)21-15(11-25(24,31)18(29)10-14)9-13-3-1-2-4-16(13)28-21;/h1-6,9,18-19,23,30-31H,7-8,10-12H2;1H/t18-,23+,24+,25-;/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50106346
PNG
(CHEMBL3596366)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)F)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:30:6:18:10.16.15,4:5:18:10.16.15|
Show InChI InChI=1/C24H22F2N2O3.ClH/c25-18(26)11-28-8-7-23-19-12-5-6-16(29)21(19)31-22(23)20-14(10-24(23,30)17(28)9-12)13-3-1-2-4-15(13)27-20;/h1-6,17-18,22,27,29-30H,7-11H2;1H/t17-,22+,23+,24-;/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50106346
PNG
(CHEMBL3596366)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)F)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:30:6:18:10.16.15,4:5:18:10.16.15|
Show InChI InChI=1/C24H22F2N2O3.ClH/c25-18(26)11-28-8-7-23-19-12-5-6-16(29)21(19)31-22(23)20-14(10-24(23,30)17(28)9-12)13-3-1-2-4-15(13)27-20;/h1-6,17-18,22,27,29-30H,7-11H2;1H/t17-,22+,23+,24-;/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50106355
PNG
(CHEMBL3596371)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)F)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:18:10.16.15,31:6:18:10.16.15|
Show InChI InChI=1/C25H22F2N2O3.ClH/c26-19(27)12-29-8-7-24-20-14-5-6-17(30)22(20)32-23(24)21-15(11-25(24,31)18(29)10-14)9-13-3-1-2-4-16(13)28-21;/h1-6,9,18-19,23,30-31H,7-8,10-12H2;1H/t18-,23+,24+,25-;/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21008
PNG
((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1
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n/an/an/an/a 8n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inverse agonist activity at human DOR expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50106351
PNG
(CHEMBL3596370)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCF)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:17:10.15.14,30:6:17:10.15.14|
Show InChI InChI=1/C25H23FN2O3.ClH/c26-8-10-28-9-7-24-20-15-5-6-18(29)22(20)31-23(24)21-16(13-25(24,30)19(28)12-15)11-14-3-1-2-4-17(14)27-21;/h1-6,11,19,23,29-30H,7-10,12-13H2;1H/t19-,23+,24+,25-;/s2
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n/an/an/an/a 25n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inverse agonist activity at human DOR expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50106348
PNG
(CHEMBL610012)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1/C27H26N2O3/c30-20-8-7-17-12-21-27(31)13-18-11-16-3-1-2-4-19(16)28-23(18)25-26(27,22(17)24(20)32-25)9-10-29(21)14-15-5-6-15/h1-4,7-8,11,15,21,25,30-31H,5-6,9-10,12-14H2/t21-,25+,26+,27-/s2
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n/an/an/an/a 9.80n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inverse agonist activity at human DOR expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50106350
PNG
(CHEMBL3596369)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCC)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:17:10.15.14,30:6:17:10.15.14|
Show InChI InChI=1/C26H26N2O3.ClH/c1-2-10-28-11-9-25-21-16-7-8-19(29)23(21)31-24(25)22-17(14-26(25,30)20(28)13-16)12-15-5-3-4-6-18(15)27-22;/h3-8,12,20,24,29-30H,2,9-11,13-14H2,1H3;1H/t20-,24+,25+,26-;/s2
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n/an/an/an/a 5.90n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inverse agonist activity at human DOR expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50106349
PNG
(CHEMBL3596368)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:16:10.14.13,29:6:16:10.14.13|
Show InChI InChI=1/C25H24N2O3.ClH/c1-2-27-10-9-24-20-15-7-8-18(28)22(20)30-23(24)21-16(13-25(24,29)19(27)12-15)11-14-5-3-4-6-17(14)26-21;/h3-8,11,19,23,28-29H,2,9-10,12-13H2,1H3;1H/t19-,23+,24+,25-;/s2
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n/an/an/an/a 6.70n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inverse agonist activity at human DOR expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50106346
PNG
(CHEMBL3596366)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)F)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:30:6:18:10.16.15,4:5:18:10.16.15|
Show InChI InChI=1/C24H22F2N2O3.ClH/c25-18(26)11-28-8-7-23-19-12-5-6-16(29)21(19)31-22(23)20-14(10-24(23,30)17(28)9-12)13-3-1-2-4-15(13)27-20;/h1-6,17-18,22,27,29-30H,7-11H2;1H/t17-,22+,23+,24-;/s2
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n/an/an/an/a 17n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inverse agonist activity at human DOR expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50106344
PNG
(CHEMBL3596365)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCF)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:29:6:17:10.15.14,4:5:17:10.15.14|
Show InChI InChI=1/C24H23FN2O3.ClH/c25-8-10-27-9-7-23-19-13-5-6-17(28)21(19)30-22(23)20-15(12-24(23,29)18(27)11-13)14-3-1-2-4-16(14)26-20;/h1-6,18,22,26,28-29H,7-12H2;1H/t18-,22+,23+,24-;/s2
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n/an/an/an/a 220n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inverse agonist activity at human DOR expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50106347
PNG
(CHEMBL3596367)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)(F)F)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:31:6:19:10.17.16,4:5:19:10.17.16|
Show InChI InChI=1/C24H21F3N2O3.ClH/c25-24(26,27)11-29-8-7-22-18-12-5-6-16(30)20(18)32-21(22)19-14(10-23(22,31)17(29)9-12)13-3-1-2-4-15(13)28-19;/h1-6,17,21,28,30-31H,7-11H2;1H/t17-,21+,22+,23-;/s2
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n/an/an/an/a 46n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inverse agonist activity at human DOR expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50006946
PNG
(2-[2-(2-{2-[2-Diallylamino-3-(4-hydroxy-phenyl)-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
Show InChI InChI=1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1
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n/an/an/an/a 116n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inverse agonist activity at human DOR expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 25: 2927-30 (2015)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%