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PubMed code 11784158

Compile data set for download or QSAR
Found 28 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))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
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?/m0/s1
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0.200n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human Opioid receptor delta 1 transfected in to CHO cells for the displacement of [3H]Cl-DPDPE (delta)


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108791
PNG
(18-cyclopropylmethyl-5-phenyl-10-oxa-7,18-diazahex...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]cc(c1C[C@@]35O)-c1ccccc1 |TLB:17:18:25:7.13.12,3:4:25:7.13.12|
Show InChI InChI=1S/C28H28N2O3/c31-21-9-8-18-12-22-28(32)13-19-20(17-4-2-1-3-5-17)14-29-24(19)26-27(28,23(18)25(21)33-26)10-11-30(22)15-16-6-7-16/h1-5,8-9,14,16,22,26,29,31-32H,6-7,10-13,15H2/t22?,26-,27-,28+/m0/s1
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2.70n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human Opioid receptor delta 1 transfected in to CHO cells for the displacement of [3H]Cl-DPDPE (delta)


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
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?/m0/s1
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6.30n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Maximum % effect of standard (DAMGO) was reported against Opioid receptor mu 1


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
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?/m0/s1
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10n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human Opioid receptor kappa 1 transfected in to CHO cells for the displacement of [3H]U-69593


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108788
PNG
(7-benzyl-18-cyclopropylmethyl-5-phenyl-10-oxa-7,18...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1 |TLB:3:4:22:7.13.12,17:18:22:7.13.12|
Show InChI InChI=1S/C35H34N2O3/c38-28-14-13-25-17-29-35(39)18-26-27(24-9-5-2-6-10-24)21-37(20-22-7-3-1-4-8-22)31(26)33-34(35,30(25)32(28)40-33)15-16-36(29)19-23-11-12-23/h1-10,13-14,21,23,29,33,38-39H,11-12,15-20H2/t29?,33-,34-,35+/m0/s1
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14n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant humanOpioid receptor delta 1 transfected in to CHO cells for the displacement of [3H]Cl-DPDPE (delta)


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108788
PNG
(7-benzyl-18-cyclopropylmethyl-5-phenyl-10-oxa-7,18...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1 |TLB:3:4:22:7.13.12,17:18:22:7.13.12|
Show InChI InChI=1S/C35H34N2O3/c38-28-14-13-25-17-29-35(39)18-26-27(24-9-5-2-6-10-24)21-37(20-22-7-3-1-4-8-22)31(26)33-34(35,30(25)32(28)40-33)15-16-36(29)19-23-11-12-23/h1-10,13-14,21,23,29,33,38-39H,11-12,15-20H2/t29?,33-,34-,35+/m0/s1
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17n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Maximum % effect of standard (DAMGO) was reported against Opioid receptor mu 1


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108787
PNG
(7-benzyl-18-cyclopropylmethyl-6-methyl-5-phenyl-10...)
Show SMILES Cc1c(c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c2n1Cc1ccccc1)[C@]3(CCN4CC1CC1)c56)-c1ccccc1 |THB:10:9:5:29.27.28,14:34:5:29.27.28|
Show InChI InChI=1S/C36H36N2O3/c1-22-30(25-10-6-3-7-11-25)27-19-36(40)29-18-26-14-15-28(39)33-31(26)35(36,16-17-37(29)20-24-12-13-24)34(41-33)32(27)38(22)21-23-8-4-2-5-9-23/h2-11,14-15,24,29,34,39-40H,12-13,16-21H2,1H3/t29?,34-,35-,36+/m0/s1
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17n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human Opioid receptor delta 1 transfected in to CHO cells for the displacement of [3H]Cl-DPDPE (delta)


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108791
PNG
(18-cyclopropylmethyl-5-phenyl-10-oxa-7,18-diazahex...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]cc(c1C[C@@]35O)-c1ccccc1 |TLB:17:18:25:7.13.12,3:4:25:7.13.12|
Show InChI InChI=1S/C28H28N2O3/c31-21-9-8-18-12-22-28(32)13-19-20(17-4-2-1-3-5-17)14-29-24(19)26-27(28,23(18)25(21)33-26)10-11-30(22)15-16-6-7-16/h1-5,8-9,14,16,22,26,29,31-32H,6-7,10-13,15H2/t22?,26-,27-,28+/m0/s1
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21n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Maximum % effect of standard (DAMGO) was reported against Opioid receptor mu 1


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108792
PNG
(7-benzyl-5-phenyl-18-propyl-10-oxa-7,18-diazahexac...)
Show SMILES CCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c(cn(Cc2ccccc2)c41)-c1ccccc1)ccc5O |TLB:35:11:14:3.5.4,9:10:14:3.5.4|
Show InChI InChI=1S/C34H34N2O3/c1-2-16-35-17-15-33-29-24-13-14-27(37)31(29)39-32(33)30-25(19-34(33,38)28(35)18-24)26(23-11-7-4-8-12-23)21-36(30)20-22-9-5-3-6-10-22/h3-14,21,28,32,37-38H,2,15-20H2,1H3/t28?,32-,33-,34+/m0/s1
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21n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human Opioid receptor delta 1 transfected in to CHO cells for the displacement of [3H]Cl-DPDPE (delta)


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108789
PNG
(7-benzyl-18-cyclopropylmethyl-5-(4-methylphenyl)-1...)
Show SMILES Cc1ccc(cc1)-c1cn(Cc2ccccc2)c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc12)ccc4O |TLB:37:22:33:25.31.30,20:21:33:25.31.30|
Show InChI InChI=1S/C36H36N2O3/c1-22-7-11-25(12-8-22)28-21-38(20-23-5-3-2-4-6-23)32-27(28)18-36(40)30-17-26-13-14-29(39)33-31(26)35(36,34(32)41-33)15-16-37(30)19-24-9-10-24/h2-8,11-14,21,24,30,34,39-40H,9-10,15-20H2,1H3/t30?,34-,35-,36+/m0/s1
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24n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human Opioid receptor delta 1 transfected in to CHO cells for the displacement of [3H]Cl-DPDPE (delta)


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108792
PNG
(7-benzyl-5-phenyl-18-propyl-10-oxa-7,18-diazahexac...)
Show SMILES CCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c(cn(Cc2ccccc2)c41)-c1ccccc1)ccc5O |TLB:35:11:14:3.5.4,9:10:14:3.5.4|
Show InChI InChI=1S/C34H34N2O3/c1-2-16-35-17-15-33-29-24-13-14-27(37)31(29)39-32(33)30-25(19-34(33,38)28(35)18-24)26(23-11-7-4-8-12-23)21-36(30)20-22-9-5-3-6-10-22/h3-14,21,28,32,37-38H,2,15-20H2,1H3/t28?,32-,33-,34+/m0/s1
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40n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Maximum % effect of standard (DAMGO) was reported against Opioid receptor mu 1


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108791
PNG
(18-cyclopropylmethyl-5-phenyl-10-oxa-7,18-diazahex...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]cc(c1C[C@@]35O)-c1ccccc1 |TLB:17:18:25:7.13.12,3:4:25:7.13.12|
Show InChI InChI=1S/C28H28N2O3/c31-21-9-8-18-12-22-28(32)13-19-20(17-4-2-1-3-5-17)14-29-24(19)26-27(28,23(18)25(21)33-26)10-11-30(22)15-16-6-7-16/h1-5,8-9,14,16,22,26,29,31-32H,6-7,10-13,15H2/t22?,26-,27-,28+/m0/s1
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45n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human Opioid receptor kappa 1 transfected in to CHO cells for the displacement of [3H]U-69593


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108790
PNG
(7-benzyl-18-methyl-5-phenyl-10-oxa-7,18-diazahexac...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c(cn(Cc2ccccc2)c41)-c1ccccc1)ccc5O |TLB:33:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C32H30N2O3/c1-33-15-14-31-27-22-12-13-25(35)29(27)37-30(31)28-23(17-32(31,36)26(33)16-22)24(21-10-6-3-7-11-21)19-34(28)18-20-8-4-2-5-9-20/h2-13,19,26,30,35-36H,14-18H2,1H3/t26?,30-,31-,32+/m0/s1
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50n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Maximum % effect of standard (DAMGO) was reported against Opioid receptor mu 1


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108787
PNG
(7-benzyl-18-cyclopropylmethyl-6-methyl-5-phenyl-10...)
Show SMILES Cc1c(c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c2n1Cc1ccccc1)[C@]3(CCN4CC1CC1)c56)-c1ccccc1 |THB:10:9:5:29.27.28,14:34:5:29.27.28|
Show InChI InChI=1S/C36H36N2O3/c1-22-30(25-10-6-3-7-11-25)27-19-36(40)29-18-26-14-15-28(39)33-31(26)35(36,16-17-37(29)20-24-12-13-24)34(41-33)32(27)38(22)21-23-8-4-2-5-9-23/h2-11,14-15,24,29,34,39-40H,12-13,16-21H2,1H3/t29?,34-,35-,36+/m0/s1
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53n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Maximum % effect of standard (DAMGO) was reported against Opioid receptor mu 1


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108789
PNG
(7-benzyl-18-cyclopropylmethyl-5-(4-methylphenyl)-1...)
Show SMILES Cc1ccc(cc1)-c1cn(Cc2ccccc2)c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc12)ccc4O |TLB:37:22:33:25.31.30,20:21:33:25.31.30|
Show InChI InChI=1S/C36H36N2O3/c1-22-7-11-25(12-8-22)28-21-38(20-23-5-3-2-4-6-23)32-27(28)18-36(40)30-17-26-13-14-29(39)33-31(26)35(36,34(32)41-33)15-16-37(30)19-24-9-10-24/h2-8,11-14,21,24,30,34,39-40H,9-10,15-20H2,1H3/t30?,34-,35-,36+/m0/s1
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78n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human Opioid receptor mu 1 transfected in to CHO cells for the displacement of [3H]DAMGO (mu)


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108789
PNG
(7-benzyl-18-cyclopropylmethyl-5-(4-methylphenyl)-1...)
Show SMILES Cc1ccc(cc1)-c1cn(Cc2ccccc2)c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc12)ccc4O |TLB:37:22:33:25.31.30,20:21:33:25.31.30|
Show InChI InChI=1S/C36H36N2O3/c1-22-7-11-25(12-8-22)28-21-38(20-23-5-3-2-4-6-23)32-27(28)18-36(40)30-17-26-13-14-29(39)33-31(26)35(36,34(32)41-33)15-16-37(30)19-24-9-10-24/h2-8,11-14,21,24,30,34,39-40H,9-10,15-20H2,1H3/t30?,34-,35-,36+/m0/s1
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108n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human Opioid receptor kappa 1 transfected in to CHO cells for the displacement of [3H]U-69593


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108790
PNG
(7-benzyl-18-methyl-5-phenyl-10-oxa-7,18-diazahexac...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c(cn(Cc2ccccc2)c41)-c1ccccc1)ccc5O |TLB:33:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C32H30N2O3/c1-33-15-14-31-27-22-12-13-25(35)29(27)37-30(31)28-23(17-32(31,36)26(33)16-22)24(21-10-6-3-7-11-21)19-34(28)18-20-8-4-2-5-9-20/h2-13,19,26,30,35-36H,14-18H2,1H3/t26?,30-,31-,32+/m0/s1
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116n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human Opioid receptor delta 1 transfected in to CHO cells for the displacement of [3H]Cl-DPDPE (delta)


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108788
PNG
(7-benzyl-18-cyclopropylmethyl-5-phenyl-10-oxa-7,18...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1 |TLB:3:4:22:7.13.12,17:18:22:7.13.12|
Show InChI InChI=1S/C35H34N2O3/c38-28-14-13-25-17-29-35(39)18-26-27(24-9-5-2-6-10-24)21-37(20-22-7-3-1-4-8-22)31(26)33-34(35,30(25)32(28)40-33)15-16-36(29)19-23-11-12-23/h1-10,13-14,21,23,29,33,38-39H,11-12,15-20H2/t29?,33-,34-,35+/m0/s1
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120n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human Opioid receptor kappa 1 transfected in to CHO cells for the displacement of [3H]U-69593


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108787
PNG
(7-benzyl-18-cyclopropylmethyl-6-methyl-5-phenyl-10...)
Show SMILES Cc1c(c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c2n1Cc1ccccc1)[C@]3(CCN4CC1CC1)c56)-c1ccccc1 |THB:10:9:5:29.27.28,14:34:5:29.27.28|
Show InChI InChI=1S/C36H36N2O3/c1-22-30(25-10-6-3-7-11-25)27-19-36(40)29-18-26-14-15-28(39)33-31(26)35(36,16-17-37(29)20-24-12-13-24)34(41-33)32(27)38(22)21-23-8-4-2-5-9-23/h2-11,14-15,24,29,34,39-40H,12-13,16-21H2,1H3/t29?,34-,35-,36+/m0/s1
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183n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human Opioid receptor kappa 1 transfected in to CHO cells for the displacement of [3H]U-69593


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108790
PNG
(7-benzyl-18-methyl-5-phenyl-10-oxa-7,18-diazahexac...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c(cn(Cc2ccccc2)c41)-c1ccccc1)ccc5O |TLB:33:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C32H30N2O3/c1-33-15-14-31-27-22-12-13-25(35)29(27)37-30(31)28-23(17-32(31,36)26(33)16-22)24(21-10-6-3-7-11-21)19-34(28)18-20-8-4-2-5-9-20/h2-13,19,26,30,35-36H,14-18H2,1H3/t26?,30-,31-,32+/m0/s1
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187n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human Opioid receptor kappa 1 transfected in to CHO cells for the displacement of [3H]U-69593


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108792
PNG
(7-benzyl-5-phenyl-18-propyl-10-oxa-7,18-diazahexac...)
Show SMILES CCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c(cn(Cc2ccccc2)c41)-c1ccccc1)ccc5O |TLB:35:11:14:3.5.4,9:10:14:3.5.4|
Show InChI InChI=1S/C34H34N2O3/c1-2-16-35-17-15-33-29-24-13-14-27(37)31(29)39-32(33)30-25(19-34(33,38)28(35)18-24)26(23-11-7-4-8-12-23)21-36(30)20-22-9-5-3-6-10-22/h3-14,21,28,32,37-38H,2,15-20H2,1H3/t28?,32-,33-,34+/m0/s1
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191n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human Opioid receptor kappa 1 transfected in to CHO cells for the displacement of [3H]U-69593


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108793
PNG
(7-benzyl-12-methoxy-18-methyl-5-phenyl-10-oxa-7,18...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1 |TLB:4:5:20:8.11.10,15:16:20:8.11.10|
Show InChI InChI=1S/C33H32N2O3/c1-34-16-15-32-28-23-13-14-26(37-2)30(28)38-31(32)29-24(18-33(32,36)27(34)17-23)25(22-11-7-4-8-12-22)20-35(29)19-21-9-5-3-6-10-21/h3-14,20,27,31,36H,15-19H2,1-2H3/t27?,31-,32-,33+/m0/s1
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322n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human Opioid receptor delta 1 transfected in to CHO cells for the displacement of [3H]Cl-DPDPE (delta)


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108793
PNG
(7-benzyl-12-methoxy-18-methyl-5-phenyl-10-oxa-7,18...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1 |TLB:4:5:20:8.11.10,15:16:20:8.11.10|
Show InChI InChI=1S/C33H32N2O3/c1-34-16-15-32-28-23-13-14-26(37-2)30(28)38-31(32)29-24(18-33(32,36)27(34)17-23)25(22-11-7-4-8-12-22)20-35(29)19-21-9-5-3-6-10-21/h3-14,20,27,31,36H,15-19H2,1-2H3/t27?,31-,32-,33+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human Opioid receptor kappa 1 transfected in to CHO cells for the displacement of [3H]U-69593


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108793
PNG
(7-benzyl-12-methoxy-18-methyl-5-phenyl-10-oxa-7,18...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1 |TLB:4:5:20:8.11.10,15:16:20:8.11.10|
Show InChI InChI=1S/C33H32N2O3/c1-34-16-15-32-28-23-13-14-26(37-2)30(28)38-31(32)29-24(18-33(32,36)27(34)17-23)25(22-11-7-4-8-12-22)20-35(29)19-21-9-5-3-6-10-21/h3-14,20,27,31,36H,15-19H2,1-2H3/t27?,31-,32-,33+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Maximum % effect of standard (DAMGO) was reported against Opioid receptor mu 1


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108789
PNG
(7-benzyl-18-cyclopropylmethyl-5-(4-methylphenyl)-1...)
Show SMILES Cc1ccc(cc1)-c1cn(Cc2ccccc2)c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc12)ccc4O |TLB:37:22:33:25.31.30,20:21:33:25.31.30|
Show InChI InChI=1S/C36H36N2O3/c1-22-7-11-25(12-8-22)28-21-38(20-23-5-3-2-4-6-23)32-27(28)18-36(40)30-17-26-13-14-29(39)33-31(26)35(36,34(32)41-33)15-16-37(30)19-24-9-10-24/h2-8,11-14,21,24,30,34,39-40H,9-10,15-20H2,1H3/t30?,34-,35-,36+/m0/s1
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n/an/an/an/a 1.36E+3n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
The partial agonist activity tested in [35S]-GTP-gamma S Recombinant Human Opioid receptor mu 1 transfected in to CHO cells for the displacement of [...


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108790
PNG
(7-benzyl-18-methyl-5-phenyl-10-oxa-7,18-diazahexac...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c(cn(Cc2ccccc2)c41)-c1ccccc1)ccc5O |TLB:33:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C32H30N2O3/c1-33-15-14-31-27-22-12-13-25(35)29(27)37-30(31)28-23(17-32(31,36)26(33)16-22)24(21-10-6-3-7-11-21)19-34(28)18-20-8-4-2-5-9-20/h2-13,19,26,30,35-36H,14-18H2,1H3/t26?,30-,31-,32+/m0/s1
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n/an/an/an/a 55n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Partial agonist activity tested in [35S]GTP-gamma-S, Recombinant Human Opioid receptor delta 1 transfected in to CHO cells for the displacement of [3...


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108789
PNG
(7-benzyl-18-cyclopropylmethyl-5-(4-methylphenyl)-1...)
Show SMILES Cc1ccc(cc1)-c1cn(Cc2ccccc2)c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc12)ccc4O |TLB:37:22:33:25.31.30,20:21:33:25.31.30|
Show InChI InChI=1S/C36H36N2O3/c1-22-7-11-25(12-8-22)28-21-38(20-23-5-3-2-4-6-23)32-27(28)18-36(40)30-17-26-13-14-29(39)33-31(26)35(36,34(32)41-33)15-16-37(30)19-24-9-10-24/h2-8,11-14,21,24,30,34,39-40H,9-10,15-20H2,1H3/t30?,34-,35-,36+/m0/s1
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n/an/an/an/a 34n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Maximum % effect of standard (DAMGO) was reported against Opioid receptor mu 1


J Med Chem 45: 537-40 (2002)

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


(Homo sapiens (Human))
BDBM50108790
PNG
(7-benzyl-18-methyl-5-phenyl-10-oxa-7,18-diazahexac...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c(cn(Cc2ccccc2)c41)-c1ccccc1)ccc5O |TLB:33:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C32H30N2O3/c1-33-15-14-31-27-22-12-13-25(35)29(27)37-30(31)28-23(17-32(31,36)26(33)16-22)24(21-10-6-3-7-11-21)19-34(28)18-20-8-4-2-5-9-20/h2-13,19,26,30,35-36H,14-18H2,1H3/t26?,30-,31-,32+/m0/s1
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n/an/an/an/a 41n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Maximum percentage effect of standard Opioid receptor delta 1 (Cl-DPDPE)


J Med Chem 45: 537-40 (2002)

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