Compile Data Set for Download or QSAR
Found 28 Enz. Inhib. hit(s) with all data for entry = 50036854
TargetMu-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50084276(7,7-Spiro analogue ofBuprinorphine | CHEMBL416765)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45
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
Affinity DataKi:  0.260nMAssay Description:Binding affinity to cloned human Opioid receptor mu 1 transfected into hamster ovary cells using [3H]DAMGO as a radioligand.More data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50084278(7,7-Spiro analogue ofBuprinorphine | CHEMBL281986)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45
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
Affinity DataKi:  0.320nMAssay Description:Binding affinity to cloned human Opioid receptor mu 1 transfected into hamster ovary cells using [3H]DAMGO as a radioligand.More data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50084275(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
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
Affinity DataKi:  0.5nMAssay Description:Binding affinity to cloned human Opioid receptor mu 1 transfected into hamster ovary cells using [3H]DAMGO as a radioligand.More data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50084277(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
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
Affinity DataKi:  0.590nMAssay Description:Binding affinity to cloned human Opioid receptor mu 1 transfected into hamster ovary cells using [3H]DAMGO as a radioligand.More data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50084278(7,7-Spiro analogue ofBuprinorphine | CHEMBL281986)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45
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
Affinity DataKi:  0.690nMAssay Description:Binding affinity to cloned human Opioid receptor delta 1 transfected into hamster ovary cells using [3H]DPDPE as a radioligand.More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50026603(Buprenorphine | CHEBI:3216)
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
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
Affinity DataKi:  0.800nMAssay Description:Binding affinity to cloned human Opioid receptor kappa 1 transfected into hamster ovary cells using [3H]U-69593 as a radioligand.More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50084276(7,7-Spiro analogue ofBuprinorphine | CHEMBL416765)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45
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
Affinity DataKi:  0.870nMAssay Description:Binding affinity to cloned human Opioid receptor kappa 1 transfected into hamster ovary cells using [3H]U-69593 as a radioligand.More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50084278(7,7-Spiro analogue ofBuprinorphine | CHEMBL281986)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45
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
Affinity DataKi:  1nMAssay Description:Binding affinity to cloned human Opioid receptor kappa 1 transfected into hamster ovary cells using [3H]U-69593 as a radioligand.More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50084275(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
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
Affinity DataKi:  1.30nMAssay Description:Binding affinity to cloned human Opioid receptor kappa 1 transfected into hamster ovary cells using [3H]U-69593 as a radioligand.More data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50026603(Buprenorphine | CHEBI:3216)
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
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
Affinity DataKi:  1.5nMAssay Description:Binding affinity to cloned human Opioid receptor mu 1 transfected into hamster ovary cells using [3H]DAMGO as a radioligand.More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50084277(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
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
Affinity DataKi:  3.10nMAssay Description:Binding affinity to cloned human Opioid receptor kappa 1 transfected into hamster ovary cells using [3H]U-69593 as a radioligand.More data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50026603(Buprenorphine | CHEBI:3216)
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
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
Affinity DataKi:  4.5nMAssay Description:Binding affinity to cloned human Opioid receptor delta 1 transfected into hamster ovary cells using [3H]DPDPE as a radioligand.More data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50084277(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
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
Affinity DataKi:  5.40nMAssay Description:Binding affinity to cloned human Opioid receptor delta 1 transfected into hamster ovary cells using [3H]DPDPE as a radioligand.More data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50084276(7,7-Spiro analogue ofBuprinorphine | CHEMBL416765)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45
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
Affinity DataKi:  5.5nMAssay Description:Binding affinity to cloned human Opioid receptor delta 1 transfected into hamster ovary cells using [3H]DPDPE as a radioligand.More data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50084275(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
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
Affinity DataKi:  8.5nMAssay Description:Binding affinity to cloned human Opioid receptor delta 1 transfected into hamster ovary cells using [3H]DPDPE as a radioligand.More data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50084276(7,7-Spiro analogue ofBuprinorphine | CHEMBL416765)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45
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
Affinity DataEC50:  11nMAssay Description:GTPgammaS binding in cloned human Opioid receptor kappa 1 transfected into hamster ovary cellsMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50084277(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
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
Affinity DataEC50:  4.20nMAssay Description:GTPgammaS binding in cloned human Opioid receptor mu 1 transfected into hamster ovary cellsMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50084278(7,7-Spiro analogue ofBuprinorphine | CHEMBL281986)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45
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
Affinity DataEC50:  0.300nMAssay Description:GTPgammaS binding in cloned human Opioid receptor delta 1 transfected into hamster ovary cellsMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50084277(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
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
Affinity DataEC50:  1.10nMAssay Description:GTPgammaS binding in cloned human Opioid receptor delta 1 transfected into hamster ovary cellsMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50084275(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
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
Affinity DataEC50:  1.60nMAssay Description:GTPgammaS binding in cloned human Opioid receptor kappa 1 transfected into hamster ovary cellsMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50084276(7,7-Spiro analogue ofBuprinorphine | CHEMBL416765)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45
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
Affinity DataEC50:  6.10nMAssay Description:GTPgammaS binding in cloned human Opioid receptor delta 1 transfected into hamster ovary cellsMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50084278(7,7-Spiro analogue ofBuprinorphine | CHEMBL281986)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45
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
Affinity DataEC50:  2.80nMAssay Description:GTPgammaS binding in cloned human Opioid receptor mu 1 transfected into hamster ovary cellsMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50084276(7,7-Spiro analogue ofBuprinorphine | CHEMBL416765)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1C)c45
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
Affinity DataEC50:  3.70nMAssay Description:GTPgammaS binding in cloned human Opioid receptor mu 1 transfected into hamster ovary cellsMore data for this Ligand-Target Pair
TargetDelta-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50084275(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
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
Affinity DataEC50:  19nMAssay Description:GTPgammaS binding in cloned human Opioid receptor delta 1 transfected into hamster ovary cellsMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50084275(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
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
Affinity DataEC50:  0.800nMAssay Description:GTPgammaS binding in cloned human Opioid receptor mu 1 transfected into hamster ovary cellsMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50026603(Buprenorphine | CHEBI:3216)
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
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
Affinity DataEC50:  2.30nMAssay Description:GTPgammaS binding in cloned human Opioid receptor mu 1 transfected into hamster ovary cellsMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50084277(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
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
Affinity DataEC50:  0.100nMAssay Description:GTPgammaS binding in cloned human Opioid receptor kappa 1 transfected into hamster ovary cellsMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Homo sapiens (Human))
University of Bristol

Curated by ChEMBL
LigandPNGBDBM50084278(7,7-Spiro analogue ofBuprinorphine | CHEMBL281986)
Show SMILES CO[C@]12C=CC3(CC11CCC[C@H]1O)C1Cc4ccc(O)c5O[C@H]2C3(CCN1CC1CC1)c45
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
Affinity DataEC50:  0.0400nMAssay Description:GTPgammaS binding in cloned human Opioid receptor kappa 1 transfected into hamster ovary cellsMore data for this Ligand-Target Pair