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PubMed code 10206545

Compile data set for download or QSAR
Found 40 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
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50076005
PNG
(2-[11,15-dimethoxy-3-methyl-(14R,15S)-13-oxa-3-aza...)
Show SMILES CO[C@@]12CCC3(C[C@@H]1[C@](C)(O)C(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |TLB:28:27:5:29.16.15|
Show InChI InChI=1S/C25H35NO4/c1-14(2)22(3,28)17-13-23-8-9-25(17,29-5)21-24(23)10-11-26(4)18(23)12-15-6-7-16(27)20(30-21)19(15)24/h6-7,14,17-18,21,27-28H,8-13H2,1-5H3/t17-,18-,21-,22-,23?,24?,25+/m1/s1
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0.100n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor in guinea pig brain membranes using [3H]- DAMGO as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50451002
PNG
(CHEMBL2110199)
Show SMILES [H][C@]12C[C@]34CC[C@]1(OC(C)(C)C2(C)C)[C@]1([H])Oc2c5c(CC3N(C)CC[C@@]415)ccc2O |r,TLB:23:22:3:18.19.20,THB:11:1:26.14:5.4|
Show InChI InChI=1S/C25H33NO3/c1-21(2)16-13-23-8-9-25(16,29-22(21,3)4)20-24(23)10-11-26(5)17(23)12-14-6-7-15(27)19(28-20)18(14)24/h6-7,16-17,20,27H,8-13H2,1-5H3/t16-,17?,20-,23-,24+,25-/m1/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 mu opioid receptor in guinea pig brain membranes using [3H]- DAMGO as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50076002
PNG
(2-(3-cyclopropylmethyl-11-hydroxy-15-methoxy-13-ox...)
Show SMILES COC12CCC3(CC1C(C)(C)O)C1Cc4ccc(O)c5OC2C3(CCN1CC1CC1)c45 |TLB:26:25:5:30.14.13,19:30:5:25.23.24,THB:4:5:30.14.13:25.23.24|
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3
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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 mu opioid receptor in guinea pig brain membranes using [3H]- DAMGO as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50076003
PNG
(3-cyclopropylmethyl-18,18-dimethyl-(15S)-13,16-dio...)
Show SMILES CC1(C)OC23CCC4(CC2C1(C)C)C1Cc2ccc(O)c5OC3C4(CCN1CC1CC1)c25 |TLB:27:26:7:31.15.14,20:31:7:26.24.25,THB:6:7:31.15.14:26.24.25|
Show InChI InChI=1S/C28H37NO3/c1-24(2)19-14-26-9-10-28(19,32-25(24,3)4)23-27(26)11-12-29(15-16-5-6-16)20(26)13-17-7-8-18(30)22(31-23)21(17)27/h7-8,16,19-20,23,30H,5-6,9-15H2,1-4H3
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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 mu opioid receptor in guinea pig brain membranes using [3H]- DAMGO as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Homo sapiens (Human))
BDBM50076002
PNG
(2-(3-cyclopropylmethyl-11-hydroxy-15-methoxy-13-ox...)
Show SMILES COC12CCC3(CC1C(C)(C)O)C1Cc4ccc(O)c5OC2C3(CCN1CC1CC1)c45 |TLB:26:25:5:30.14.13,19:30:5:25.23.24,THB:4:5:30.14.13:25.23.24|
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3
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0.300n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor in guinea pig brain membranes using [3H]- CI-DPDPE as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50076011
PNG
(3-cyclopropylmethyl-18-methyl-(15S)-13,16-dioxa-3-...)
Show SMILES C[C@H]1CO[C@@]23CCC4(C[C@@H]12)[C@H]1Cc2ccc(O)c5O[C@@H]3C4(CCN1CC1CC1)c25 |TLB:24:23:7:28.12.11|
Show InChI InChI=1S/C25H31NO3/c1-14-13-28-25-7-6-23(11-17(14)25)19-10-16-4-5-18(27)21-20(16)24(23,22(25)29-21)8-9-26(19)12-15-2-3-15/h4-5,14-15,17,19,22,27H,2-3,6-13H2,1H3/t14-,17-,19+,22+,23?,24?,25-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor in guinea pig brain membranes using [3H]- DAMGO as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Cavia porcellus (domestic guinea pig))
BDBM50076002
PNG
(2-(3-cyclopropylmethyl-11-hydroxy-15-methoxy-13-ox...)
Show SMILES COC12CCC3(CC1C(C)(C)O)C1Cc4ccc(O)c5OC2C3(CCN1CC1CC1)c45 |TLB:26:25:5:30.14.13,19:30:5:25.23.24,THB:4:5:30.14.13:25.23.24|
Show InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3
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0.400n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor in guinea pig brain membranes using [3H]- U-69,593 as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50076007
PNG
(2-(11,15-dimethoxy-3-methyl-13-oxa-3-azahexacyclo[...)
Show SMILES COc1ccc2C[C@H]3N(C)CCC45[C@@H](Oc1c24)[C@@]1(CCC35C[C@@H]1[C@](C)(O)C(C)C)OC |THB:9:8:20:16.5.6|
Show InChI InChI=1S/C26H37NO4/c1-15(2)23(3,28)18-14-24-9-10-26(18,30-6)22-25(24)11-12-27(4)19(24)13-16-7-8-17(29-5)21(31-22)20(16)25/h7-8,15,18-19,22,28H,9-14H2,1-6H3/t18-,19-,22-,23-,24?,25?,26+/m1/s1
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0.400n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor in guinea pig brain membranes using [3H]- DAMGO as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50076010
PNG
(3,17,17,18-tetramethyl-13,16-dioxa-3-azaheptacyclo...)
Show SMILES CC1C2CC34CCC2(OC1(C)C)C1Oc2c5c(CC3N(C)CCC415)ccc2O |TLB:5:4:15.16.17:19.22.21,14:15:4:19.22.21,20:19:4:15.16.17|
Show InChI InChI=1S/C24H31NO3/c1-13-15-12-22-7-8-24(15,28-21(13,2)3)20-23(22)9-10-25(4)17(22)11-14-5-6-16(26)19(27-20)18(14)23/h5-6,13,15,17,20,26H,7-12H2,1-4H3
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0.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor in guinea pig brain membranes using [3H]- DAMGO as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Cavia porcellus (domestic guinea pig))
BDBM50076011
PNG
(3-cyclopropylmethyl-18-methyl-(15S)-13,16-dioxa-3-...)
Show SMILES C[C@H]1CO[C@@]23CCC4(C[C@@H]12)[C@H]1Cc2ccc(O)c5O[C@@H]3C4(CCN1CC1CC1)c25 |TLB:24:23:7:28.12.11|
Show InChI InChI=1S/C25H31NO3/c1-14-13-28-25-7-6-23(11-17(14)25)19-10-16-4-5-18(27)21-20(16)24(23,22(25)29-21)8-9-26(19)12-15-2-3-15/h4-5,14-15,17,19,22,27H,2-3,6-13H2,1H3/t14-,17-,19+,22+,23?,24?,25-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor in guinea pig brain membranes using [3H]- U-69,593 as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Homo sapiens (Human))
BDBM50076009
PNG
(16-[1-hydroxy-1,2,2-trimethyl-(1R)-propyl]-15-meth...)
Show SMILES CO[C@@]12CCC3(C[C@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |TLB:29:28:5:30.17.16|
Show InChI InChI=1S/C26H37NO4/c1-22(2,3)23(4,29)17-14-24-9-10-26(17,30-6)21-25(24)11-12-27(5)18(24)13-15-7-8-16(28)20(31-21)19(15)25/h7-8,17-18,21,28-29H,9-14H2,1-6H3/t17-,18+,21+,23+,24?,25?,26-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards human mu opioid receptor in CHO cells using [3H]- DAMGO as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Homo sapiens (Human))
BDBM50076005
PNG
(2-[11,15-dimethoxy-3-methyl-(14R,15S)-13-oxa-3-aza...)
Show SMILES CO[C@@]12CCC3(C[C@@H]1[C@](C)(O)C(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |TLB:28:27:5:29.16.15|
Show InChI InChI=1S/C25H35NO4/c1-14(2)22(3,28)17-13-23-8-9-25(17,29-5)21-24(23)10-11-26(4)18(23)12-15-6-7-16(27)20(30-21)19(15)24/h6-7,14,17-18,21,27-28H,8-13H2,1-5H3/t17-,18-,21-,22-,23?,24?,25+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor in guinea pig brain membranes using [3H]- CI-DPDPE as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50451004
PNG
(CHEMBL2110315)
Show SMILES [H][C@@]12C[C@]34CC[C@]1(OC(C)(C)C2(C)C)[C@]1([H])Oc2c5c(CC3N(C)CC[C@@]415)ccc2O |r,TLB:23:22:3:18.19.20,THB:11:1:26.14:5.4|
Show InChI InChI=1S/C25H33NO3/c1-21(2)16-13-23-8-9-25(16,29-22(21,3)4)20-24(23)10-11-26(5)17(23)12-14-6-7-15(27)19(28-20)18(14)24/h6-7,16-17,20,27H,8-13H2,1-5H3/t16-,17?,20+,23+,24-,25+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor in guinea pig brain membranes using [3H]- DAMGO as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Cavia porcellus (domestic guinea pig))
BDBM50076003
PNG
(3-cyclopropylmethyl-18,18-dimethyl-(15S)-13,16-dio...)
Show SMILES CC1(C)OC23CCC4(CC2C1(C)C)C1Cc2ccc(O)c5OC3C4(CCN1CC1CC1)c25 |TLB:27:26:7:31.15.14,20:31:7:26.24.25,THB:6:7:31.15.14:26.24.25|
Show InChI InChI=1S/C28H37NO3/c1-24(2)19-14-26-9-10-28(19,32-25(24,3)4)23-27(26)11-12-29(15-16-5-6-16)20(26)13-17-7-8-18(30)22(31-23)21(17)27/h7-8,16,19-20,23,30H,5-6,9-15H2,1-4H3
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0.700n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor in guinea pig brain membranes using [3H]- U-69,593 as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50076001
PNG
(3-cyclopropylmethyl-18-methyl-(15S)-13,16-dioxa-3-...)
Show SMILES C[C@@H]1CO[C@@]23CCC4(C[C@H]12)C1Cc2ccc(O)c5O[C@@H]3C4(CCN1CC1CC1)c25 |TLB:24:23:7:28.12.11,17:28:7:23.21.22,THB:6:7:28.12.11:23.21.22|
Show InChI InChI=1S/C25H31NO3/c1-14-13-28-25-7-6-23(11-17(14)25)19-10-16-4-5-18(27)21-20(16)24(23,22(25)29-21)8-9-26(19)12-15-2-3-15/h4-5,14-15,17,19,22,27H,2-3,6-13H2,1H3/t14-,17-,19?,22-,23?,24?,25+/m1/s1
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0.700n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor in guinea pig brain membranes using [3H]- DAMGO as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Cavia porcellus (domestic guinea pig))
BDBM50076007
PNG
(2-(11,15-dimethoxy-3-methyl-13-oxa-3-azahexacyclo[...)
Show SMILES COc1ccc2C[C@H]3N(C)CCC45[C@@H](Oc1c24)[C@@]1(CCC35C[C@@H]1[C@](C)(O)C(C)C)OC |THB:9:8:20:16.5.6|
Show InChI InChI=1S/C26H37NO4/c1-15(2)23(3,28)18-14-24-9-10-26(18,30-6)22-25(24)11-12-27(4)19(24)13-16-7-8-17(29-5)21(31-22)20(16)25/h7-8,15,18-19,22,28H,9-14H2,1-6H3/t18-,19-,22-,23-,24?,25?,26+/m1/s1
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0.700n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor in guinea pig brain membranes using [3H]- U-69,593 as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Homo sapiens (Human))
BDBM50076011
PNG
(3-cyclopropylmethyl-18-methyl-(15S)-13,16-dioxa-3-...)
Show SMILES C[C@H]1CO[C@@]23CCC4(C[C@@H]12)[C@H]1Cc2ccc(O)c5O[C@@H]3C4(CCN1CC1CC1)c25 |TLB:24:23:7:28.12.11|
Show InChI InChI=1S/C25H31NO3/c1-14-13-28-25-7-6-23(11-17(14)25)19-10-16-4-5-18(27)21-20(16)24(23,22(25)29-21)8-9-26(19)12-15-2-3-15/h4-5,14-15,17,19,22,27H,2-3,6-13H2,1H3/t14-,17-,19+,22+,23?,24?,25-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor in guinea pig brain membranes using [3H]- CI-DPDPE as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Homo sapiens (Human))
BDBM50076003
PNG
(3-cyclopropylmethyl-18,18-dimethyl-(15S)-13,16-dio...)
Show SMILES CC1(C)OC23CCC4(CC2C1(C)C)C1Cc2ccc(O)c5OC3C4(CCN1CC1CC1)c25 |TLB:27:26:7:31.15.14,20:31:7:26.24.25,THB:6:7:31.15.14:26.24.25|
Show InChI InChI=1S/C28H37NO3/c1-24(2)19-14-26-9-10-28(19,32-25(24,3)4)23-27(26)11-12-29(15-16-5-6-16)20(26)13-17-7-8-18(30)22(31-23)21(17)27/h7-8,16,19-20,23,30H,5-6,9-15H2,1-4H3
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0.800n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor in guinea pig brain membranes using [3H]- CI-DPDPE as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Homo sapiens (Human))
BDBM50076009
PNG
(16-[1-hydroxy-1,2,2-trimethyl-(1R)-propyl]-15-meth...)
Show SMILES CO[C@@]12CCC3(C[C@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |TLB:29:28:5:30.17.16|
Show InChI InChI=1S/C26H37NO4/c1-22(2,3)23(4,29)17-14-24-9-10-26(17,30-6)21-25(24)11-12-27(5)18(24)13-15-7-8-16(28)20(31-21)19(15)25/h7-8,17-18,21,28-29H,9-14H2,1-6H3/t17-,18+,21+,23+,24?,25?,26-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards human delta opioid receptor in CHO cells using [3H]- CI-DPDPE as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Cavia porcellus (domestic guinea pig))
BDBM50076001
PNG
(3-cyclopropylmethyl-18-methyl-(15S)-13,16-dioxa-3-...)
Show SMILES C[C@@H]1CO[C@@]23CCC4(C[C@H]12)C1Cc2ccc(O)c5O[C@@H]3C4(CCN1CC1CC1)c25 |TLB:24:23:7:28.12.11,17:28:7:23.21.22,THB:6:7:28.12.11:23.21.22|
Show InChI InChI=1S/C25H31NO3/c1-14-13-28-25-7-6-23(11-17(14)25)19-10-16-4-5-18(27)21-20(16)24(23,22(25)29-21)8-9-26(19)12-15-2-3-15/h4-5,14-15,17,19,22,27H,2-3,6-13H2,1H3/t14-,17-,19?,22-,23?,24?,25+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor in guinea pig brain membranes using [3H]- U-69,593 as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Homo sapiens (Human))
BDBM50076001
PNG
(3-cyclopropylmethyl-18-methyl-(15S)-13,16-dioxa-3-...)
Show SMILES C[C@@H]1CO[C@@]23CCC4(C[C@H]12)C1Cc2ccc(O)c5O[C@@H]3C4(CCN1CC1CC1)c25 |TLB:24:23:7:28.12.11,17:28:7:23.21.22,THB:6:7:28.12.11:23.21.22|
Show InChI InChI=1S/C25H31NO3/c1-14-13-28-25-7-6-23(11-17(14)25)19-10-16-4-5-18(27)21-20(16)24(23,22(25)29-21)8-9-26(19)12-15-2-3-15/h4-5,14-15,17,19,22,27H,2-3,6-13H2,1H3/t14-,17-,19?,22-,23?,24?,25+/m1/s1
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1.20n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor in guinea pig brain membranes using [3H]- CI-DPDPE as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50354578
PNG
(BUPRENORPHINE | US9315514, Buprenorphine)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1
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1.30n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor in guinea pig brain membranes using [3H]- DAMGO as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Homo sapiens (Human))
BDBM50076007
PNG
(2-(11,15-dimethoxy-3-methyl-13-oxa-3-azahexacyclo[...)
Show SMILES COc1ccc2C[C@H]3N(C)CCC45[C@@H](Oc1c24)[C@@]1(CCC35C[C@@H]1[C@](C)(O)C(C)C)OC |THB:9:8:20:16.5.6|
Show InChI InChI=1S/C26H37NO4/c1-15(2)23(3,28)18-14-24-9-10-26(18,30-6)22-25(24)11-12-27(4)19(24)13-16-7-8-17(29-5)21(31-22)20(16)25/h7-8,15,18-19,22,28H,9-14H2,1-6H3/t18-,19-,22-,23-,24?,25?,26+/m1/s1
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1.30n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor in guinea pig brain membranes using [3H]- CI-DPDPE as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Cavia porcellus (domestic guinea pig))
BDBM50354578
PNG
(BUPRENORPHINE | US9315514, Buprenorphine)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor in guinea pig brain membranes using [3H]- U-69,593 as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Homo sapiens (Human))
BDBM50354578
PNG
(BUPRENORPHINE | US9315514, Buprenorphine)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1
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1.60n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor in guinea pig brain membranes using [3H]- CI-DPDPE as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Cavia porcellus (domestic guinea pig))
BDBM50076005
PNG
(2-[11,15-dimethoxy-3-methyl-(14R,15S)-13-oxa-3-aza...)
Show SMILES CO[C@@]12CCC3(C[C@@H]1[C@](C)(O)C(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |TLB:28:27:5:29.16.15|
Show InChI InChI=1S/C25H35NO4/c1-14(2)22(3,28)17-13-23-8-9-25(17,29-5)21-24(23)10-11-26(4)18(23)12-15-6-7-16(27)20(30-21)19(15)24/h6-7,14,17-18,21,27-28H,8-13H2,1-5H3/t17-,18-,21-,22-,23?,24?,25+/m1/s1
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2.20n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor in guinea pig brain membranes using [3H]- U-69,593 as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Homo sapiens (Human))
BDBM50076009
PNG
(16-[1-hydroxy-1,2,2-trimethyl-(1R)-propyl]-15-meth...)
Show SMILES CO[C@@]12CCC3(C[C@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |TLB:29:28:5:30.17.16|
Show InChI InChI=1S/C26H37NO4/c1-22(2,3)23(4,29)17-14-24-9-10-26(17,30-6)21-25(24)11-12-27(5)18(24)13-15-7-8-16(28)20(31-21)19(15)25/h7-8,17-18,21,28-29H,9-14H2,1-6H3/t17-,18+,21+,23+,24?,25?,26-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL




Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Cavia porcellus (domestic guinea pig))
BDBM50076010
PNG
(3,17,17,18-tetramethyl-13,16-dioxa-3-azaheptacyclo...)
Show SMILES CC1C2CC34CCC2(OC1(C)C)C1Oc2c5c(CC3N(C)CCC415)ccc2O |TLB:5:4:15.16.17:19.22.21,14:15:4:19.22.21,20:19:4:15.16.17|
Show InChI InChI=1S/C24H31NO3/c1-13-15-12-22-7-8-24(15,28-21(13,2)3)20-23(22)9-10-25(4)17(22)11-14-5-6-16(26)19(27-20)18(14)23/h5-6,13,15,17,20,26H,7-12H2,1-4H3
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2.60n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor in guinea pig brain membranes using [3H]- U-69,593 as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Cavia porcellus (domestic guinea pig))
BDBM50451002
PNG
(CHEMBL2110199)
Show SMILES [H][C@]12C[C@]34CC[C@]1(OC(C)(C)C2(C)C)[C@]1([H])Oc2c5c(CC3N(C)CC[C@@]415)ccc2O |r,TLB:23:22:3:18.19.20,THB:11:1:26.14:5.4|
Show InChI InChI=1S/C25H33NO3/c1-21(2)16-13-23-8-9-25(16,29-22(21,3)4)20-24(23)10-11-26(5)17(23)12-14-6-7-15(27)19(28-20)18(14)24/h6-7,16-17,20,27H,8-13H2,1-5H3/t16-,17?,20-,23-,24+,25-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor in guinea pig brain membranes using [3H]- U-69,593 as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Cavia porcellus (domestic guinea pig))
BDBM50451004
PNG
(CHEMBL2110315)
Show SMILES [H][C@@]12C[C@]34CC[C@]1(OC(C)(C)C2(C)C)[C@]1([H])Oc2c5c(CC3N(C)CC[C@@]415)ccc2O |r,TLB:23:22:3:18.19.20,THB:11:1:26.14:5.4|
Show InChI InChI=1S/C25H33NO3/c1-21(2)16-13-23-8-9-25(16,29-22(21,3)4)20-24(23)10-11-26(5)17(23)12-14-6-7-15(27)19(28-20)18(14)24/h6-7,16-17,20,27H,8-13H2,1-5H3/t16-,17?,20+,23+,24-,25+/m0/s1
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4.40n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor in guinea pig brain membranes using [3H]- U-69,593 as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Homo sapiens (Human))
BDBM50076010
PNG
(3,17,17,18-tetramethyl-13,16-dioxa-3-azaheptacyclo...)
Show SMILES CC1C2CC34CCC2(OC1(C)C)C1Oc2c5c(CC3N(C)CCC415)ccc2O |TLB:5:4:15.16.17:19.22.21,14:15:4:19.22.21,20:19:4:15.16.17|
Show InChI InChI=1S/C24H31NO3/c1-13-15-12-22-7-8-24(15,28-21(13,2)3)20-23(22)9-10-25(4)17(22)11-14-5-6-16(26)19(27-20)18(14)23/h5-6,13,15,17,20,26H,7-12H2,1-4H3
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4.40n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor in guinea pig brain membranes using [3H]- CI-DPDPE as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Homo sapiens (Human))
BDBM50451002
PNG
(CHEMBL2110199)
Show SMILES [H][C@]12C[C@]34CC[C@]1(OC(C)(C)C2(C)C)[C@]1([H])Oc2c5c(CC3N(C)CC[C@@]415)ccc2O |r,TLB:23:22:3:18.19.20,THB:11:1:26.14:5.4|
Show InChI InChI=1S/C25H33NO3/c1-21(2)16-13-23-8-9-25(16,29-22(21,3)4)20-24(23)10-11-26(5)17(23)12-14-6-7-15(27)19(28-20)18(14)24/h6-7,16-17,20,27H,8-13H2,1-5H3/t16-,17?,20-,23-,24+,25-/m1/s1
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4.40n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor in guinea pig brain membranes using [3H]- CI-DPDPE as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Homo sapiens (Human))
BDBM50451004
PNG
(CHEMBL2110315)
Show SMILES [H][C@@]12C[C@]34CC[C@]1(OC(C)(C)C2(C)C)[C@]1([H])Oc2c5c(CC3N(C)CC[C@@]415)ccc2O |r,TLB:23:22:3:18.19.20,THB:11:1:26.14:5.4|
Show InChI InChI=1S/C25H33NO3/c1-21(2)16-13-23-8-9-25(16,29-22(21,3)4)20-24(23)10-11-26(5)17(23)12-14-6-7-15(27)19(28-20)18(14)24/h6-7,16-17,20,27H,8-13H2,1-5H3/t16-,17?,20+,23+,24-,25+/m0/s1
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6.10n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards delta opioid receptor in guinea pig brain membranes using [3H]- CI-DPDPE as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Homo sapiens (Human))
BDBM50076009
PNG
(16-[1-hydroxy-1,2,2-trimethyl-(1R)-propyl]-15-meth...)
Show SMILES CO[C@@]12CCC3(C[C@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |TLB:29:28:5:30.17.16|
Show InChI InChI=1S/C26H37NO4/c1-22(2,3)23(4,29)17-14-24-9-10-26(17,30-6)21-25(24)11-12-27(5)18(24)13-15-7-8-16(28)20(31-21)19(15)25/h7-8,17-18,21,28-29H,9-14H2,1-6H3/t17-,18+,21+,23+,24?,25?,26-/m0/s1
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n/an/an/an/a 1.20n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Activity was evaluated in human delta opioid receptors transfected with CHO cells by [35S]GTP-gamma-S, assay


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Homo sapiens (Human))
BDBM50076009
PNG
(16-[1-hydroxy-1,2,2-trimethyl-(1R)-propyl]-15-meth...)
Show SMILES CO[C@@]12CCC3(C[C@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |TLB:29:28:5:30.17.16|
Show InChI InChI=1S/C26H37NO4/c1-22(2,3)23(4,29)17-14-24-9-10-26(17,30-6)21-25(24)11-12-27(5)18(24)13-15-7-8-16(28)20(31-21)19(15)25/h7-8,17-18,21,28-29H,9-14H2,1-6H3/t17-,18+,21+,23+,24?,25?,26-/m0/s1
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n/an/an/an/a 2.40n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Activity was evaluated in human kappa opioid receptors transfected with CHO cells by [35S]GTP-gamma-S, assay


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Homo sapiens (Human))
BDBM50451004
PNG
(CHEMBL2110315)
Show SMILES [H][C@@]12C[C@]34CC[C@]1(OC(C)(C)C2(C)C)[C@]1([H])Oc2c5c(CC3N(C)CC[C@@]415)ccc2O |r,TLB:23:22:3:18.19.20,THB:11:1:26.14:5.4|
Show InChI InChI=1S/C25H33NO3/c1-21(2)16-13-23-8-9-25(16,29-22(21,3)4)20-24(23)10-11-26(5)17(23)12-14-6-7-15(27)19(28-20)18(14)24/h6-7,16-17,20,27H,8-13H2,1-5H3/t16-,17?,20+,23+,24-,25+/m0/s1
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n/an/an/an/a 28n/an/an/an/a



University of Bristol

Curated by ChEMBL




Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Homo sapiens (Human))
BDBM50354578
PNG
(BUPRENORPHINE | US9315514, Buprenorphine)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1
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n/an/an/an/a 2.30n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Activity was evaluated in human mu opioid receptors transfected with CHO cells by [35S]GTP-gamma-S, assay


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Homo sapiens (Human))
BDBM50451004
PNG
(CHEMBL2110315)
Show SMILES [H][C@@]12C[C@]34CC[C@]1(OC(C)(C)C2(C)C)[C@]1([H])Oc2c5c(CC3N(C)CC[C@@]415)ccc2O |r,TLB:23:22:3:18.19.20,THB:11:1:26.14:5.4|
Show InChI InChI=1S/C25H33NO3/c1-21(2)16-13-23-8-9-25(16,29-22(21,3)4)20-24(23)10-11-26(5)17(23)12-14-6-7-15(27)19(28-20)18(14)24/h6-7,16-17,20,27H,8-13H2,1-5H3/t16-,17?,20+,23+,24-,25+/m0/s1
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n/an/an/an/a 21n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Activity was evaluated in human kappa opioid receptors transfected with CHO cells by [35S]GTP-gamma-S, assay


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Homo sapiens (Human))
BDBM50451004
PNG
(CHEMBL2110315)
Show SMILES [H][C@@]12C[C@]34CC[C@]1(OC(C)(C)C2(C)C)[C@]1([H])Oc2c5c(CC3N(C)CC[C@@]415)ccc2O |r,TLB:23:22:3:18.19.20,THB:11:1:26.14:5.4|
Show InChI InChI=1S/C25H33NO3/c1-21(2)16-13-23-8-9-25(16,29-22(21,3)4)20-24(23)10-11-26(5)17(23)12-14-6-7-15(27)19(28-20)18(14)24/h6-7,16-17,20,27H,8-13H2,1-5H3/t16-,17?,20+,23+,24-,25+/m0/s1
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n/an/an/an/a 1.90n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Activity was evaluated in human mu opioid receptors transfected with CHO cells by [35S]GTP-gamma-S, assay


Bioorg Med Chem Lett 9: 831-4 (1999)

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


(Homo sapiens (Human))
BDBM50076009
PNG
(16-[1-hydroxy-1,2,2-trimethyl-(1R)-propyl]-15-meth...)
Show SMILES CO[C@@]12CCC3(C[C@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 |TLB:29:28:5:30.17.16|
Show InChI InChI=1S/C26H37NO4/c1-22(2,3)23(4,29)17-14-24-9-10-26(17,30-6)21-25(24)11-12-27(5)18(24)13-15-7-8-16(28)20(31-21)19(15)25/h7-8,17-18,21,28-29H,9-14H2,1-6H3/t17-,18+,21+,23+,24?,25?,26-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Activity was evaluated in human delta opioid receptors transfected with CHO cells by [35S]GTP-gamma-S, assay


Bioorg Med Chem Lett 9: 831-4 (1999)

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