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PubMed code 10649968

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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50084276
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL416765)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:11:7:23.22:4.3,28:23:7.6:4.3,20:28:5:26.24.25,21:22:7.6:4.3,27:26:5:28.15.14,6:5:28.15.14:26.24.25,THB:4:5:28.15.14:26.24.25,24:23:7.6:4.3|
Show InChI InChI=1S/C24H29NO4/c1-25-11-10-23-18-14-5-6-15(26)19(18)29-20(23)24(28-2)9-8-21(23,16(25)12-14)13-22(24)7-3-4-17(22)27/h5-6,8-9,16-17,20,26-27H,3-4,7,10-13H2,1-2H3/t16?,17-,20+,21?,22?,23?,24+/m1/s1
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0.260n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Opioid receptor mu 1 transfected into hamster ovary cells using [3H]DAMGO as a radioligand.


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50084278
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL281986)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45 |c:3,TLB:27:26:5:31.15.14,31:23:7.6:4.3,11:7:23.22:4.3,20:31:5:26.24.25,21:22:7.6:4.3,6:5:31.15.14:26.24.25,THB:4:5:31.15.14:26.24.25,24:23:7.6:4.3|
Show InChI InChI=1S/C27H33NO4/c1-31-27-10-9-24(15-25(27)8-2-3-20(25)30)19-13-17-6-7-18(29)22-21(17)26(24,23(27)32-22)11-12-28(19)14-16-4-5-16/h6-7,9-10,16,19-20,23,29-30H,2-5,8,11-15H2,1H3/t19?,20-,23+,24?,25?,26?,27+/m1/s1
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0.320n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Opioid receptor mu 1 transfected into hamster ovary cells using [3H]DAMGO as a radioligand.


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50084275
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL31605)
Show SMILES CO[C@]12C=CC3(CC11CCC(C)(C)[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:30:25:7.6:4.3,22:30:5:28.26.27,23:24:7.6:4.3,6:5:30.17.16:28.26.27,29:28:5:30.17.16,13:7:25.24:4.3,THB:26:25:7.6:4.3,4:5:30.17.16:28.26.27|
Show InChI InChI=1S/C26H33NO4/c1-22(2)7-8-24(20(22)29)14-23-9-10-26(24,30-4)21-25(23)11-12-27(3)17(23)13-15-5-6-16(28)19(31-21)18(15)25/h5-6,9-10,17,20-21,28-29H,7-8,11-14H2,1-4H3/t17?,20-,21+,23?,24?,25?,26+/m1/s1
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0.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Opioid receptor mu 1 transfected into hamster ovary cells using [3H]DAMGO as a radioligand.


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50084277
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL31030)
Show SMILES CO[C@]12C=CC3(CC11CCC(C)(C)[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45 |c:3,TLB:29:28:5:33.17.16,33:25:7.6:4.3,22:33:5:28.26.27,23:24:7.6:4.3,6:5:33.17.16:28.26.27,13:7:25.24:4.3,THB:26:25:7.6:4.3,4:5:33.17.16:28.26.27|
Show InChI InChI=1S/C29H37NO4/c1-25(2)8-9-27(23(25)32)16-26-10-11-29(27,33-3)24-28(26)12-13-30(15-17-4-5-17)20(26)14-18-6-7-19(31)22(34-24)21(18)28/h6-7,10-11,17,20,23-24,31-32H,4-5,8-9,12-16H2,1-3H3/t20?,23-,24+,26?,27?,28?,29+/m1/s1
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0.590n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Opioid receptor mu 1 transfected into hamster ovary cells using [3H]DAMGO as a radioligand.


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50084278
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL281986)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45 |c:3,TLB:27:26:5:31.15.14,31:23:7.6:4.3,11:7:23.22:4.3,20:31:5:26.24.25,21:22:7.6:4.3,6:5:31.15.14:26.24.25,THB:4:5:31.15.14:26.24.25,24:23:7.6:4.3|
Show InChI InChI=1S/C27H33NO4/c1-31-27-10-9-24(15-25(27)8-2-3-20(25)30)19-13-17-6-7-18(29)22-21(17)26(24,23(27)32-22)11-12-28(19)14-16-4-5-16/h6-7,9-10,16,19-20,23,29-30H,2-5,8,11-15H2,1H3/t19?,20-,23+,24?,25?,26?,27+/m1/s1
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0.690n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Opioid receptor delta 1 transfected into hamster ovary cells using [3H]DPDPE as a radioligand.


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50026603
PNG
(BUPRENORPHINE | Buprenorphine | CHEBI:3216)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19|
Show InChI InChI=1/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-/s2
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0.800n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Opioid receptor kappa 1 transfected into hamster ovary cells using [3H]U-69593 as a radioligand.


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50084276
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL416765)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:11:7:23.22:4.3,28:23:7.6:4.3,20:28:5:26.24.25,21:22:7.6:4.3,27:26:5:28.15.14,6:5:28.15.14:26.24.25,THB:4:5:28.15.14:26.24.25,24:23:7.6:4.3|
Show InChI InChI=1S/C24H29NO4/c1-25-11-10-23-18-14-5-6-15(26)19(18)29-20(23)24(28-2)9-8-21(23,16(25)12-14)13-22(24)7-3-4-17(22)27/h5-6,8-9,16-17,20,26-27H,3-4,7,10-13H2,1-2H3/t16?,17-,20+,21?,22?,23?,24+/m1/s1
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0.870n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Opioid receptor kappa 1 transfected into hamster ovary cells using [3H]U-69593 as a radioligand.


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50084278
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL281986)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45 |c:3,TLB:27:26:5:31.15.14,31:23:7.6:4.3,11:7:23.22:4.3,20:31:5:26.24.25,21:22:7.6:4.3,6:5:31.15.14:26.24.25,THB:4:5:31.15.14:26.24.25,24:23:7.6:4.3|
Show InChI InChI=1S/C27H33NO4/c1-31-27-10-9-24(15-25(27)8-2-3-20(25)30)19-13-17-6-7-18(29)22-21(17)26(24,23(27)32-22)11-12-28(19)14-16-4-5-16/h6-7,9-10,16,19-20,23,29-30H,2-5,8,11-15H2,1H3/t19?,20-,23+,24?,25?,26?,27+/m1/s1
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1n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Opioid receptor kappa 1 transfected into hamster ovary cells using [3H]U-69593 as a radioligand.


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50084275
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL31605)
Show SMILES CO[C@]12C=CC3(CC11CCC(C)(C)[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:30:25:7.6:4.3,22:30:5:28.26.27,23:24:7.6:4.3,6:5:30.17.16:28.26.27,29:28:5:30.17.16,13:7:25.24:4.3,THB:26:25:7.6:4.3,4:5:30.17.16:28.26.27|
Show InChI InChI=1S/C26H33NO4/c1-22(2)7-8-24(20(22)29)14-23-9-10-26(24,30-4)21-25(23)11-12-27(3)17(23)13-15-5-6-16(28)19(31-21)18(15)25/h5-6,9-10,17,20-21,28-29H,7-8,11-14H2,1-4H3/t17?,20-,21+,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 to cloned human Opioid receptor kappa 1 transfected into hamster ovary cells using [3H]U-69593 as a radioligand.


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50026603
PNG
(BUPRENORPHINE | Buprenorphine | CHEBI:3216)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19|
Show InChI InChI=1/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-/s2
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1.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Opioid receptor mu 1 transfected into hamster ovary cells using [3H]DAMGO as a radioligand.


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50084277
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL31030)
Show SMILES CO[C@]12C=CC3(CC11CCC(C)(C)[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45 |c:3,TLB:29:28:5:33.17.16,33:25:7.6:4.3,22:33:5:28.26.27,23:24:7.6:4.3,6:5:33.17.16:28.26.27,13:7:25.24:4.3,THB:26:25:7.6:4.3,4:5:33.17.16:28.26.27|
Show InChI InChI=1S/C29H37NO4/c1-25(2)8-9-27(23(25)32)16-26-10-11-29(27,33-3)24-28(26)12-13-30(15-17-4-5-17)20(26)14-18-6-7-19(31)22(34-24)21(18)28/h6-7,10-11,17,20,23-24,31-32H,4-5,8-9,12-16H2,1-3H3/t20?,23-,24+,26?,27?,28?,29+/m1/s1
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3.10n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Opioid receptor kappa 1 transfected into hamster ovary cells using [3H]U-69593 as a radioligand.


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50026603
PNG
(BUPRENORPHINE | Buprenorphine | CHEBI:3216)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19|
Show InChI InChI=1/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-/s2
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4.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Opioid receptor delta 1 transfected into hamster ovary cells using [3H]DPDPE as a radioligand.


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50084277
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL31030)
Show SMILES CO[C@]12C=CC3(CC11CCC(C)(C)[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45 |c:3,TLB:29:28:5:33.17.16,33:25:7.6:4.3,22:33:5:28.26.27,23:24:7.6:4.3,6:5:33.17.16:28.26.27,13:7:25.24:4.3,THB:26:25:7.6:4.3,4:5:33.17.16:28.26.27|
Show InChI InChI=1S/C29H37NO4/c1-25(2)8-9-27(23(25)32)16-26-10-11-29(27,33-3)24-28(26)12-13-30(15-17-4-5-17)20(26)14-18-6-7-19(31)22(34-24)21(18)28/h6-7,10-11,17,20,23-24,31-32H,4-5,8-9,12-16H2,1-3H3/t20?,23-,24+,26?,27?,28?,29+/m1/s1
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5.40n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Opioid receptor delta 1 transfected into hamster ovary cells using [3H]DPDPE as a radioligand.


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50084276
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL416765)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:11:7:23.22:4.3,28:23:7.6:4.3,20:28:5:26.24.25,21:22:7.6:4.3,27:26:5:28.15.14,6:5:28.15.14:26.24.25,THB:4:5:28.15.14:26.24.25,24:23:7.6:4.3|
Show InChI InChI=1S/C24H29NO4/c1-25-11-10-23-18-14-5-6-15(26)19(18)29-20(23)24(28-2)9-8-21(23,16(25)12-14)13-22(24)7-3-4-17(22)27/h5-6,8-9,16-17,20,26-27H,3-4,7,10-13H2,1-2H3/t16?,17-,20+,21?,22?,23?,24+/m1/s1
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5.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Opioid receptor delta 1 transfected into hamster ovary cells using [3H]DPDPE as a radioligand.


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50084275
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL31605)
Show SMILES CO[C@]12C=CC3(CC11CCC(C)(C)[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:30:25:7.6:4.3,22:30:5:28.26.27,23:24:7.6:4.3,6:5:30.17.16:28.26.27,29:28:5:30.17.16,13:7:25.24:4.3,THB:26:25:7.6:4.3,4:5:30.17.16:28.26.27|
Show InChI InChI=1S/C26H33NO4/c1-22(2)7-8-24(20(22)29)14-23-9-10-26(24,30-4)21-25(23)11-12-27(3)17(23)13-15-5-6-16(28)19(31-21)18(15)25/h5-6,9-10,17,20-21,28-29H,7-8,11-14H2,1-4H3/t17?,20-,21+,23?,24?,25?,26+/m1/s1
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8.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity to cloned human Opioid receptor delta 1 transfected into hamster ovary cells using [3H]DPDPE as a radioligand.


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50084275
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL31605)
Show SMILES CO[C@]12C=CC3(CC11CCC(C)(C)[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:30:25:7.6:4.3,22:30:5:28.26.27,23:24:7.6:4.3,6:5:30.17.16:28.26.27,29:28:5:30.17.16,13:7:25.24:4.3,THB:26:25:7.6:4.3,4:5:30.17.16:28.26.27|
Show InChI InChI=1S/C26H33NO4/c1-22(2)7-8-24(20(22)29)14-23-9-10-26(24,30-4)21-25(23)11-12-27(3)17(23)13-15-5-6-16(28)19(31-21)18(15)25/h5-6,9-10,17,20-21,28-29H,7-8,11-14H2,1-4H3/t17?,20-,21+,23?,24?,25?,26+/m1/s1
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n/an/an/an/a 0.800n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
GTPgammaS binding in cloned human Opioid receptor mu 1 transfected into hamster ovary cells


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50084276
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL416765)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:11:7:23.22:4.3,28:23:7.6:4.3,20:28:5:26.24.25,21:22:7.6:4.3,27:26:5:28.15.14,6:5:28.15.14:26.24.25,THB:4:5:28.15.14:26.24.25,24:23:7.6:4.3|
Show InChI InChI=1S/C24H29NO4/c1-25-11-10-23-18-14-5-6-15(26)19(18)29-20(23)24(28-2)9-8-21(23,16(25)12-14)13-22(24)7-3-4-17(22)27/h5-6,8-9,16-17,20,26-27H,3-4,7,10-13H2,1-2H3/t16?,17-,20+,21?,22?,23?,24+/m1/s1
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n/an/an/an/a 11n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
GTPgammaS binding in cloned human Opioid receptor kappa 1 transfected into hamster ovary cells


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50084276
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL416765)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:11:7:23.22:4.3,28:23:7.6:4.3,20:28:5:26.24.25,21:22:7.6:4.3,27:26:5:28.15.14,6:5:28.15.14:26.24.25,THB:4:5:28.15.14:26.24.25,24:23:7.6:4.3|
Show InChI InChI=1S/C24H29NO4/c1-25-11-10-23-18-14-5-6-15(26)19(18)29-20(23)24(28-2)9-8-21(23,16(25)12-14)13-22(24)7-3-4-17(22)27/h5-6,8-9,16-17,20,26-27H,3-4,7,10-13H2,1-2H3/t16?,17-,20+,21?,22?,23?,24+/m1/s1
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n/an/an/an/a 3.70n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
GTPgammaS binding in cloned human Opioid receptor mu 1 transfected into hamster ovary cells


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50084278
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL281986)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45 |c:3,TLB:27:26:5:31.15.14,31:23:7.6:4.3,11:7:23.22:4.3,20:31:5:26.24.25,21:22:7.6:4.3,6:5:31.15.14:26.24.25,THB:4:5:31.15.14:26.24.25,24:23:7.6:4.3|
Show InChI InChI=1S/C27H33NO4/c1-31-27-10-9-24(15-25(27)8-2-3-20(25)30)19-13-17-6-7-18(29)22-21(17)26(24,23(27)32-22)11-12-28(19)14-16-4-5-16/h6-7,9-10,16,19-20,23,29-30H,2-5,8,11-15H2,1H3/t19?,20-,23+,24?,25?,26?,27+/m1/s1
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n/an/an/an/a 0.300n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
GTPgammaS binding in cloned human Opioid receptor delta 1 transfected into hamster ovary cells


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50084275
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL31605)
Show SMILES CO[C@]12C=CC3(CC11CCC(C)(C)[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:30:25:7.6:4.3,22:30:5:28.26.27,23:24:7.6:4.3,6:5:30.17.16:28.26.27,29:28:5:30.17.16,13:7:25.24:4.3,THB:26:25:7.6:4.3,4:5:30.17.16:28.26.27|
Show InChI InChI=1S/C26H33NO4/c1-22(2)7-8-24(20(22)29)14-23-9-10-26(24,30-4)21-25(23)11-12-27(3)17(23)13-15-5-6-16(28)19(31-21)18(15)25/h5-6,9-10,17,20-21,28-29H,7-8,11-14H2,1-4H3/t17?,20-,21+,23?,24?,25?,26+/m1/s1
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n/an/an/an/a 1.60n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
GTPgammaS binding in cloned human Opioid receptor kappa 1 transfected into hamster ovary cells


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50084276
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL416765)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:11:7:23.22:4.3,28:23:7.6:4.3,20:28:5:26.24.25,21:22:7.6:4.3,27:26:5:28.15.14,6:5:28.15.14:26.24.25,THB:4:5:28.15.14:26.24.25,24:23:7.6:4.3|
Show InChI InChI=1S/C24H29NO4/c1-25-11-10-23-18-14-5-6-15(26)19(18)29-20(23)24(28-2)9-8-21(23,16(25)12-14)13-22(24)7-3-4-17(22)27/h5-6,8-9,16-17,20,26-27H,3-4,7,10-13H2,1-2H3/t16?,17-,20+,21?,22?,23?,24+/m1/s1
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n/an/an/an/a 6.10n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
GTPgammaS binding in cloned human Opioid receptor delta 1 transfected into hamster ovary cells


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50084275
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL31605)
Show SMILES CO[C@]12C=CC3(CC11CCC(C)(C)[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45 |c:3,TLB:30:25:7.6:4.3,22:30:5:28.26.27,23:24:7.6:4.3,6:5:30.17.16:28.26.27,29:28:5:30.17.16,13:7:25.24:4.3,THB:26:25:7.6:4.3,4:5:30.17.16:28.26.27|
Show InChI InChI=1S/C26H33NO4/c1-22(2)7-8-24(20(22)29)14-23-9-10-26(24,30-4)21-25(23)11-12-27(3)17(23)13-15-5-6-16(28)19(31-21)18(15)25/h5-6,9-10,17,20-21,28-29H,7-8,11-14H2,1-4H3/t17?,20-,21+,23?,24?,25?,26+/m1/s1
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n/an/an/an/a 19n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
GTPgammaS binding in cloned human Opioid receptor delta 1 transfected into hamster ovary cells


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50084277
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL31030)
Show SMILES CO[C@]12C=CC3(CC11CCC(C)(C)[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45 |c:3,TLB:29:28:5:33.17.16,33:25:7.6:4.3,22:33:5:28.26.27,23:24:7.6:4.3,6:5:33.17.16:28.26.27,13:7:25.24:4.3,THB:26:25:7.6:4.3,4:5:33.17.16:28.26.27|
Show InChI InChI=1S/C29H37NO4/c1-25(2)8-9-27(23(25)32)16-26-10-11-29(27,33-3)24-28(26)12-13-30(15-17-4-5-17)20(26)14-18-6-7-19(31)22(34-24)21(18)28/h6-7,10-11,17,20,23-24,31-32H,4-5,8-9,12-16H2,1-3H3/t20?,23-,24+,26?,27?,28?,29+/m1/s1
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n/an/an/an/a 1.10n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
GTPgammaS binding in cloned human Opioid receptor delta 1 transfected into hamster ovary cells


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50026603
PNG
(BUPRENORPHINE | Buprenorphine | CHEBI:3216)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19|
Show InChI InChI=1/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-/s2
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n/an/an/an/a 2.30n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
GTPgammaS binding in cloned human Opioid receptor mu 1 transfected into hamster ovary cells


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50084277
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL31030)
Show SMILES CO[C@]12C=CC3(CC11CCC(C)(C)[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45 |c:3,TLB:29:28:5:33.17.16,33:25:7.6:4.3,22:33:5:28.26.27,23:24:7.6:4.3,6:5:33.17.16:28.26.27,13:7:25.24:4.3,THB:26:25:7.6:4.3,4:5:33.17.16:28.26.27|
Show InChI InChI=1S/C29H37NO4/c1-25(2)8-9-27(23(25)32)16-26-10-11-29(27,33-3)24-28(26)12-13-30(15-17-4-5-17)20(26)14-18-6-7-19(31)22(34-24)21(18)28/h6-7,10-11,17,20,23-24,31-32H,4-5,8-9,12-16H2,1-3H3/t20?,23-,24+,26?,27?,28?,29+/m1/s1
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n/an/an/an/a 4.20n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
GTPgammaS binding in cloned human Opioid receptor mu 1 transfected into hamster ovary cells


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50084277
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL31030)
Show SMILES CO[C@]12C=CC3(CC11CCC(C)(C)[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45 |c:3,TLB:29:28:5:33.17.16,33:25:7.6:4.3,22:33:5:28.26.27,23:24:7.6:4.3,6:5:33.17.16:28.26.27,13:7:25.24:4.3,THB:26:25:7.6:4.3,4:5:33.17.16:28.26.27|
Show InChI InChI=1S/C29H37NO4/c1-25(2)8-9-27(23(25)32)16-26-10-11-29(27,33-3)24-28(26)12-13-30(15-17-4-5-17)20(26)14-18-6-7-19(31)22(34-24)21(18)28/h6-7,10-11,17,20,23-24,31-32H,4-5,8-9,12-16H2,1-3H3/t20?,23-,24+,26?,27?,28?,29+/m1/s1
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n/an/an/an/a 0.100n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
GTPgammaS binding in cloned human Opioid receptor kappa 1 transfected into hamster ovary cells


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50084278
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL281986)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45 |c:3,TLB:27:26:5:31.15.14,31:23:7.6:4.3,11:7:23.22:4.3,20:31:5:26.24.25,21:22:7.6:4.3,6:5:31.15.14:26.24.25,THB:4:5:31.15.14:26.24.25,24:23:7.6:4.3|
Show InChI InChI=1S/C27H33NO4/c1-31-27-10-9-24(15-25(27)8-2-3-20(25)30)19-13-17-6-7-18(29)22-21(17)26(24,23(27)32-22)11-12-28(19)14-16-4-5-16/h6-7,9-10,16,19-20,23,29-30H,2-5,8,11-15H2,1H3/t19?,20-,23+,24?,25?,26?,27+/m1/s1
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n/an/an/an/a 0.0400n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
GTPgammaS binding in cloned human Opioid receptor kappa 1 transfected into hamster ovary cells


J Med Chem 43: 139-41 (2000)

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


(Homo sapiens (Human))
BDBM50084278
PNG
(7,7-Spiro analogue ofBuprinorphine | CHEMBL281986)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45 |c:3,TLB:27:26:5:31.15.14,31:23:7.6:4.3,11:7:23.22:4.3,20:31:5:26.24.25,21:22:7.6:4.3,6:5:31.15.14:26.24.25,THB:4:5:31.15.14:26.24.25,24:23:7.6:4.3|
Show InChI InChI=1S/C27H33NO4/c1-31-27-10-9-24(15-25(27)8-2-3-20(25)30)19-13-17-6-7-18(29)22-21(17)26(24,23(27)32-22)11-12-28(19)14-16-4-5-16/h6-7,9-10,16,19-20,23,29-30H,2-5,8,11-15H2,1H3/t19?,20-,23+,24?,25?,26?,27+/m1/s1
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n/an/an/an/a 2.80n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
GTPgammaS binding in cloned human Opioid receptor mu 1 transfected into hamster ovary cells


J Med Chem 43: 139-41 (2000)

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