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PubMed code 12593663

Compile data set for download or QSAR
Found 146 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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001023
PNG
((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1
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0.0520n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50007102
PNG
(6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1 |THB:16:15:1:10.4.3|
Show InChI InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13-,16-,18+,19-/m0/s1
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0.0730n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001023
PNG
((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50007102
PNG
(6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1 |THB:16:15:1:10.4.3|
Show InChI InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13-,16-,18+,19-/m0/s1
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0.170n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123995
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES COc1ccc(Nc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |TLB:20:19:13:24.10.11,25:24:13:19.17.18|
Show InChI InChI=1S/C25H32N2O/c1-17-24-14-19-6-7-21(26-20-8-10-22(28-3)11-9-20)15-23(19)25(17,2)12-13-27(24)16-18-4-5-18/h6-11,15,17-18,24,26H,4-5,12-14,16H2,1-3H3/t17-,24?,25-/m0/s1
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0.290n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50123995
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES COc1ccc(Nc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |TLB:20:19:13:24.10.11,25:24:13:19.17.18|
Show InChI InChI=1S/C25H32N2O/c1-17-24-14-19-6-7-21(26-20-8-10-22(28-3)11-9-20)15-23(19)25(17,2)12-13-27(24)16-18-4-5-18/h6-11,15,17-18,24,26H,4-5,12-14,16H2,1-3H3/t17-,24?,25-/m0/s1
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0.470n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123997
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4cccnc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3,15:16:1:21.19.20|
Show InChI InChI=1S/C23H29N3/c1-16-22-12-18-7-8-19(25-20-4-3-10-24-14-20)13-21(18)23(16,2)9-11-26(22)15-17-5-6-17/h3-4,7-8,10,13-14,16-17,22,25H,5-6,9,11-12,15H2,1-2H3/t16-,22?,23-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50085020
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES [H][C@]12Cc3ccc(Nc4ccccc4)cc3[C@@](C)(CCN1CC1CC1)[C@H]2C |THB:21:20:25:15.3.2,14:15:25:20.18.19|
Show InChI InChI=1S/C24H30N2/c1-17-23-14-19-10-11-21(25-20-6-4-3-5-7-20)15-22(19)24(17,2)12-13-26(23)16-18-8-9-18/h3-7,10-11,15,17-18,23,25H,8-9,12-14,16H2,1-2H3/t17-,23?,24-/m0/s1
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0.540n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123988
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(C)cc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21|
Show InChI InChI=1S/C25H32N2/c1-17-4-9-21(10-5-17)26-22-11-8-20-14-24-18(2)25(3,23(20)15-22)12-13-27(24)16-19-6-7-19/h4-5,8-11,15,18-19,24,26H,6-7,12-14,16H2,1-3H3/t18-,24?,25-/m0/s1
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0.570n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001023
PNG
((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1
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0.580n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50123997
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4cccnc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3,15:16:1:21.19.20|
Show InChI InChI=1S/C23H29N3/c1-16-22-12-18-7-8-19(25-20-4-3-10-24-14-20)13-21(18)23(16,2)9-11-26(22)15-17-5-6-17/h3-4,7-8,10,13-14,16-17,22,25H,5-6,9,11-12,15H2,1-2H3/t16-,22?,23-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000091
PNG
((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|
Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17?,19-/m0/s1
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0.780n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50124002
PNG
(8-Amino-3-cyclopropylmethyl-6,11-dimethyl-3,4,5,6-...)
Show SMILES C[C@H]1C2N(CC3CC3)CC[C@]1(C)c1cc(N)ccc1C2=O |TLB:4:3:19.12.18:1,13:12:1:3.9.8,THB:20:19:1:3.9.8|
Show InChI InChI=1S/C18H24N2O/c1-11-16-17(21)14-6-5-13(19)9-15(14)18(11,2)7-8-20(16)10-12-3-4-12/h5-6,9,11-12,16H,3-4,7-8,10,19H2,1-2H3/t11-,16?,18-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50123988
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(C)cc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21|
Show InChI InChI=1S/C25H32N2/c1-17-4-9-21(10-5-17)26-22-11-8-20-14-24-18(2)25(3,23(20)15-22)12-13-27(24)16-19-6-7-19/h4-5,8-11,15,18-19,24,26H,6-7,12-14,16H2,1-3H3/t18-,24?,25-/m0/s1
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0.910n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123993
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES COc1cccc(Nc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)c1 |TLB:21:20:14:25.11.12,26:25:14:20.18.19|
Show InChI InChI=1S/C25H32N2O/c1-17-24-13-19-9-10-21(26-20-5-4-6-22(14-20)28-3)15-23(19)25(17,2)11-12-27(24)16-18-7-8-18/h4-6,9-10,14-15,17-18,24,26H,7-8,11-13,16H2,1-3H3/t17-,24?,25-/m0/s1
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1n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123985
PNG
(3-Cyclopropylmethyl-8-hydroxy-6,11-dimethyl-3,4,5,...)
Show SMILES C[C@H]1C2N(CC3CC3)CC[C@]1(C)c1cc(O)ccc1C2=O |TLB:4:3:19.12.18:1,13:12:1:3.9.8,THB:20:19:1:3.9.8|
Show InChI InChI=1S/C18H23NO2/c1-11-16-17(21)14-6-5-13(20)9-15(14)18(11,2)7-8-19(16)10-12-3-4-12/h5-6,9,11-12,16,20H,3-4,7-8,10H2,1-2H3/t11-,16?,18-/m0/s1
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1n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123994
PNG
(8-Amino-3-cyclopropylmethyl-6-ethyl-11-methyl-3,4,...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(N)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|
Show InChI InChI=1S/C19H26N2O/c1-3-19-8-9-21(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(20)10-16(15)19/h6-7,10,12-13,17H,3-5,8-9,11,20H2,1-2H3/t12-,17?,19-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50092176
PNG
(3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17+,18-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50085020
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES [H][C@]12Cc3ccc(Nc4ccccc4)cc3[C@@](C)(CCN1CC1CC1)[C@H]2C |THB:21:20:25:15.3.2,14:15:25:20.18.19|
Show InChI InChI=1S/C24H30N2/c1-17-23-14-19-10-11-21(25-20-6-4-3-5-7-20)15-22(19)24(17,2)12-13-26(23)16-18-8-9-18/h3-7,10-11,15,17-18,23,25H,8-9,12-14,16H2,1-2H3/t17-,23?,24-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50085021
PNG
(Benzyl-((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl...)
Show SMILES C[C@H]1C2Cc3ccc(NCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21|
Show InChI InChI=1S/C25H32N2/c1-18-24-14-21-10-11-22(26-16-19-6-4-3-5-7-19)15-23(21)25(18,2)12-13-27(24)17-20-8-9-20/h3-7,10-11,15,18,20,24,26H,8-9,12-14,16-17H2,1-2H3/t18-,24?,25-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50092176
PNG
(3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17+,18-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50123993
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES COc1cccc(Nc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)c1 |TLB:21:20:14:25.11.12,26:25:14:20.18.19|
Show InChI InChI=1S/C25H32N2O/c1-17-24-13-19-9-10-21(26-20-5-4-6-22(14-20)28-3)15-23(19)25(17,2)11-12-27(24)16-18-7-8-18/h4-6,9-10,14-15,17-18,24,26H,7-8,11-13,16H2,1-3H3/t17-,24?,25-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50124007
PNG
(CHEMBL2368318 | [6,11-Dimethyl-3-(tetrahydro-furan...)
Show SMILES [H][C@@]1(CN2CC[C@@]3(C)[C@@H](C)[C@@]2([H])Cc2ccc(Nc4ccccc4)cc32)CCCO1 |TLB:2:3:8:25.13.12,THB:24:25:8:3.5.4|
Show InChI InChI=1S/C25H32N2O/c1-18-24-15-19-10-11-21(26-20-7-4-3-5-8-20)16-23(19)25(18,2)12-13-27(24)17-22-9-6-14-28-22/h3-5,7-8,10-11,16,18,22,24,26H,6,9,12-15,17H2,1-2H3/t18-,22-,24+,25-/m0/s1
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2n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123998
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES COc1ccccc1Nc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:22:21:15:26.12.13,27:26:15:21.19.20|
Show InChI InChI=1S/C25H32N2O/c1-17-23-14-19-10-11-20(26-22-6-4-5-7-24(22)28-3)15-21(19)25(17,2)12-13-27(23)16-18-8-9-18/h4-7,10-11,15,17-18,23,26H,8-9,12-14,16H2,1-3H3/t17-,23?,25-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123992
PNG
(3-Cyclopropylmethyl-6-ethyl-11-methyl-8-phenylamin...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(Nc3ccccc3)cc21 |TLB:6:5:13.27.15:11,14:13:11:5.3.4,THB:26:27:11:5.3.4|
Show InChI InChI=1S/C25H30N2O/c1-3-25-13-14-27(16-18-9-10-18)23(17(25)2)24(28)21-12-11-20(15-22(21)25)26-19-7-5-4-6-8-19/h4-8,11-12,15,17-18,23,26H,3,9-10,13-14,16H2,1-2H3/t17-,23?,25-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50007102
PNG
(6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1 |THB:16:15:1:10.4.3|
Show InChI InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13-,16-,18+,19-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123996
PNG
((4-Chloro-phenyl)-(3-cyclopropylmethyl-6,11-dimeth...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(Cl)cc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21|
Show InChI InChI=1S/C24H29ClN2/c1-16-23-13-18-5-8-21(26-20-9-6-19(25)7-10-20)14-22(18)24(16,2)11-12-27(23)15-17-3-4-17/h5-10,14,16-17,23,26H,3-4,11-13,15H2,1-2H3/t16-,23?,24-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50124007
PNG
(CHEMBL2368318 | [6,11-Dimethyl-3-(tetrahydro-furan...)
Show SMILES [H][C@@]1(CN2CC[C@@]3(C)[C@@H](C)[C@@]2([H])Cc2ccc(Nc4ccccc4)cc32)CCCO1 |TLB:2:3:8:25.13.12,THB:24:25:8:3.5.4|
Show InChI InChI=1S/C25H32N2O/c1-18-24-15-19-10-11-21(26-20-7-4-3-5-8-20)16-23(19)25(18,2)12-13-27(24)17-22-9-6-14-28-22/h3-5,7-8,10-11,16,18,22,24,26H,6,9,12-15,17H2,1-2H3/t18-,22-,24+,25-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123987
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccncc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3,15:16:1:21.19.20|
Show InChI InChI=1S/C23H29N3/c1-16-22-13-18-5-6-20(25-19-7-10-24-11-8-19)14-21(18)23(16,2)9-12-26(22)15-17-3-4-17/h5-8,10-11,14,16-17,22H,3-4,9,12-13,15H2,1-2H3,(H,24,25)/t16-,22?,23-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50123996
PNG
((4-Chloro-phenyl)-(3-cyclopropylmethyl-6,11-dimeth...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(Cl)cc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21|
Show InChI InChI=1S/C24H29ClN2/c1-16-23-13-18-5-8-21(26-20-9-6-19(25)7-10-20)14-22(18)24(16,2)11-12-27(23)15-17-3-4-17/h5-10,14,16-17,23,26H,3-4,11-13,15H2,1-2H3/t16-,23?,24-/m0/s1
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3n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50085028
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES CCNc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:16:15:9:20.6.7,21:20:9:15.13.14|
Show InChI InChI=1S/C20H30N2/c1-4-21-17-8-7-16-11-19-14(2)20(3,18(16)12-17)9-10-22(19)13-15-5-6-15/h7-8,12,14-15,19,21H,4-6,9-11,13H2,1-3H3/t14-,19?,20-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50123985
PNG
(3-Cyclopropylmethyl-8-hydroxy-6,11-dimethyl-3,4,5,...)
Show SMILES C[C@H]1C2N(CC3CC3)CC[C@]1(C)c1cc(O)ccc1C2=O |TLB:4:3:19.12.18:1,13:12:1:3.9.8,THB:20:19:1:3.9.8|
Show InChI InChI=1S/C18H23NO2/c1-11-16-17(21)14-6-5-13(20)9-15(14)18(11,2)7-8-19(16)10-12-3-4-12/h5-6,9,11-12,16,20H,3-4,7-8,10H2,1-2H3/t11-,16?,18-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50124002
PNG
(8-Amino-3-cyclopropylmethyl-6,11-dimethyl-3,4,5,6-...)
Show SMILES C[C@H]1C2N(CC3CC3)CC[C@]1(C)c1cc(N)ccc1C2=O |TLB:4:3:19.12.18:1,13:12:1:3.9.8,THB:20:19:1:3.9.8|
Show InChI InChI=1S/C18H24N2O/c1-11-16-17(21)14-6-5-13(19)9-15(14)18(11,2)7-8-20(16)10-12-3-4-12/h5-6,9,11-12,16H,3-4,7-8,10,19H2,1-2H3/t11-,16?,18-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50085024
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17?,18-/m0/s1
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4.10n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50123989
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccccn4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3,15:16:1:21.19.20|
Show InChI InChI=1S/C23H29N3/c1-16-21-13-18-8-9-19(25-22-5-3-4-11-24-22)14-20(18)23(16,2)10-12-26(21)15-17-6-7-17/h3-5,8-9,11,14,16-17,21H,6-7,10,12-13,15H2,1-2H3,(H,24,25)/t16-,21?,23-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50085021
PNG
(Benzyl-((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl...)
Show SMILES C[C@H]1C2Cc3ccc(NCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21|
Show InChI InChI=1S/C25H32N2/c1-18-24-14-21-10-11-22(26-16-19-6-4-3-5-7-19)15-23(21)25(18,2)12-13-27(24)17-20-8-9-20/h3-7,10-11,15,18,20,24,26H,8-9,12-14,16-17H2,1-2H3/t18-,24?,25-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50085028
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES CCNc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:16:15:9:20.6.7,21:20:9:15.13.14|
Show InChI InChI=1S/C20H30N2/c1-4-21-17-8-7-16-11-19-14(2)20(3,18(16)12-17)9-10-22(19)13-15-5-6-15/h7-8,12,14-15,19,21H,4-6,9-11,13H2,1-3H3/t14-,19?,20-/m0/s1
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5.10n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50124008
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(Cl)c(Cl)c4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:24:23:1:18.4.3,17:18:1:23.21.22|
Show InChI InChI=1S/C24H28Cl2N2/c1-15-23-11-17-5-6-18(27-19-7-8-21(25)22(26)13-19)12-20(17)24(15,2)9-10-28(23)14-16-3-4-16/h5-8,12-13,15-16,23,27H,3-4,9-11,14H2,1-2H3/t15-,23?,24-/m0/s1
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5.70n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123988
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(C)cc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21|
Show InChI InChI=1S/C25H32N2/c1-17-4-9-21(10-5-17)26-22-11-8-20-14-24-18(2)25(3,23(20)15-22)12-13-27(24)16-19-6-7-19/h4-5,8-11,15,18-19,24,26H,6-7,12-14,16H2,1-3H3/t18-,24?,25-/m0/s1
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6.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50124004
PNG
(13-cyclopropylmethyl-1,16-dimethyl-(1S,16R)-5,13-d...)
Show SMILES C[C@H]1C2Cc3cc4cc[nH]c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:11:12:1:17.16.15,18:17:1:4.12.3|
Show InChI InChI=1S/C20H26N2/c1-13-19-10-16-9-15-5-7-21-18(15)11-17(16)20(13,2)6-8-22(19)12-14-3-4-14/h5,7,9,11,13-14,19,21H,3-4,6,8,10,12H2,1-2H3/t13-,19?,20-/m0/s1
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7n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50124001
PNG
((4-Chloro-benzyl)-(3-cyclopropylmethyl-6,11-dimeth...)
Show SMILES C[C@H]1C2Cc3ccc(NCc4ccc(Cl)cc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:24:23:1:18.4.3,17:18:1:23.21.22|
Show InChI InChI=1S/C25H31ClN2/c1-17-24-13-20-7-10-22(27-15-18-5-8-21(26)9-6-18)14-23(20)25(17,2)11-12-28(24)16-19-3-4-19/h5-10,14,17,19,24,27H,3-4,11-13,15-16H2,1-2H3/t17-,24?,25-/m0/s1
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7.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50123994
PNG
(8-Amino-3-cyclopropylmethyl-6-ethyl-11-methyl-3,4,...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(N)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|
Show InChI InChI=1S/C19H26N2O/c1-3-19-8-9-21(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(20)10-16(15)19/h6-7,10,12-13,17H,3-5,8-9,11,20H2,1-2H3/t12-,17?,19-/m0/s1
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7.30n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50124003
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES COc1ccc(CNc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |TLB:21:20:14:25.11.12,26:25:14:20.18.19|
Show InChI InChI=1S/C26H34N2O/c1-18-25-14-21-8-9-22(27-16-19-6-10-23(29-3)11-7-19)15-24(21)26(18,2)12-13-28(25)17-20-4-5-20/h6-11,15,18,20,25,27H,4-5,12-14,16-17H2,1-3H3/t18-,25?,26-/m0/s1
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7.80n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50124009
PNG
(6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,...)
Show SMILES [H][C@@]1(CN2CC[C@@]3(C)[C@@H](C)[C@@]2([H])Cc2ccc(N)cc32)CCCO1 |TLB:2:3:8:19.13.12,THB:18:19:8:3.5.4|
Show InChI InChI=1S/C19H28N2O/c1-13-18-10-14-5-6-15(20)11-17(14)19(13,2)7-8-21(18)12-16-4-3-9-22-16/h5-6,11,13,16,18H,3-4,7-10,12,20H2,1-2H3/t13-,16-,18+,19-/m0/s1
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7.80n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123995
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES COc1ccc(Nc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |TLB:20:19:13:24.10.11,25:24:13:19.17.18|
Show InChI InChI=1S/C25H32N2O/c1-17-24-14-19-6-7-21(26-20-8-10-22(28-3)11-9-20)15-23(19)25(17,2)12-13-27(24)16-18-4-5-18/h6-11,15,17-18,24,26H,4-5,12-14,16H2,1-3H3/t17-,24?,25-/m0/s1
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8.30n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50124008
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(Cl)c(Cl)c4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:24:23:1:18.4.3,17:18:1:23.21.22|
Show InChI InChI=1S/C24H28Cl2N2/c1-15-23-11-17-5-6-18(27-19-7-8-21(25)22(26)13-19)12-20(17)24(15,2)9-10-28(23)14-16-3-4-16/h5-8,12-13,15-16,23,27H,3-4,9-11,14H2,1-2H3/t15-,23?,24-/m0/s1
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8.40n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50085029
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES CNc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:15:14:8:19.5.6,20:19:8:14.12.13|
Show InChI InChI=1S/C19H28N2/c1-13-18-10-15-6-7-16(20-3)11-17(15)19(13,2)8-9-21(18)12-14-4-5-14/h6-7,11,13-14,18,20H,4-5,8-10,12H2,1-3H3/t13-,18?,19-/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50123998
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES COc1ccccc1Nc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:22:21:15:26.12.13,27:26:15:21.19.20|
Show InChI InChI=1S/C25H32N2O/c1-17-23-14-19-10-11-20(26-22-6-4-5-7-24(22)28-3)15-21(19)25(17,2)12-13-27(23)16-18-8-9-18/h4-7,10-11,15,17-18,23,26H,8-9,12-14,16H2,1-3H3/t17-,23?,25-/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50085026
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-(4-me...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCN(C)CC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C23H35N3/c1-17-22-14-19-6-7-20(25-12-10-24(3)11-13-25)15-21(19)23(17,2)8-9-26(22)16-18-4-5-18/h6-7,15,17-18,22H,4-5,8-14,16H2,1-3H3/t17-,22?,23-/m0/s1
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8.80n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50124001
PNG
((4-Chloro-benzyl)-(3-cyclopropylmethyl-6,11-dimeth...)
Show SMILES C[C@H]1C2Cc3ccc(NCc4ccc(Cl)cc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:24:23:1:18.4.3,17:18:1:23.21.22|
Show InChI InChI=1S/C25H31ClN2/c1-17-24-13-20-7-10-22(27-15-18-5-8-21(26)9-6-18)14-23(20)25(17,2)11-12-28(24)16-19-3-4-19/h5-10,14,17,19,24,27H,3-4,11-13,15-16H2,1-2H3/t17-,24?,25-/m0/s1
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8.80n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50124005
PNG
(CHEMBL440196 | N-(3-Cyclopropylmethyl-6,11-dimethy...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(cc4)N(C)C)cc3[C@@]1(C)CCN2CC1CC1 |TLB:25:24:1:19.4.3,18:19:1:24.22.23|
Show InChI InChI=1S/C26H35N3/c1-18-25-15-20-7-8-22(27-21-9-11-23(12-10-21)28(3)4)16-24(20)26(18,2)13-14-29(25)17-19-5-6-19/h7-12,16,18-19,25,27H,5-6,13-15,17H2,1-4H3/t18-,25?,26-/m0/s1
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8.80n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50085023
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES C[C@H]1C2Cc3ccc(NCCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:24:23:1:18.4.3,17:18:1:23.21.22|
Show InChI InChI=1S/C26H34N2/c1-19-25-16-22-10-11-23(27-14-12-20-6-4-3-5-7-20)17-24(22)26(19,2)13-15-28(25)18-21-8-9-21/h3-7,10-11,17,19,21,25,27H,8-9,12-16,18H2,1-2H3/t19-,25?,26-/m0/s1
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9n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123989
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccccn4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3,15:16:1:21.19.20|
Show InChI InChI=1S/C23H29N3/c1-16-21-13-18-8-9-19(25-22-5-3-4-11-24-22)14-20(18)23(16,2)10-12-26(21)15-17-6-7-17/h3-5,8-9,11,14,16-17,21H,6-7,10,12-13,15H2,1-2H3,(H,24,25)/t16-,21?,23-/m0/s1
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9.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50085020
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES [H][C@]12Cc3ccc(Nc4ccccc4)cc3[C@@](C)(CCN1CC1CC1)[C@H]2C |THB:21:20:25:15.3.2,14:15:25:20.18.19|
Show InChI InChI=1S/C24H30N2/c1-17-23-14-19-10-11-21(25-20-6-4-3-5-7-20)15-22(19)24(17,2)12-13-26(23)16-18-8-9-18/h3-7,10-11,15,17-18,23,25H,8-9,12-14,16H2,1-2H3/t17-,23?,24-/m0/s1
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9.40n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50085024
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17?,18-/m0/s1
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9.5n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123991
PNG
(17-cyclopropylmethyl-1,20-dimethyl-(1S,20R)-5,17-d...)
Show SMILES C[C@H]1C2Cc3cc4c(cc3[C@@]1(C)CCN2CC1CC1)[nH]c1ccccc41 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C24H28N2/c1-15-23-12-17-11-19-18-5-3-4-6-21(18)25-22(19)13-20(17)24(15,2)9-10-26(23)14-16-7-8-16/h3-6,11,13,15-16,23,25H,7-10,12,14H2,1-2H3/t15-,23?,24-/m0/s1
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9.60n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50123992
PNG
(3-Cyclopropylmethyl-6-ethyl-11-methyl-8-phenylamin...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(Nc3ccccc3)cc21 |TLB:6:5:13.27.15:11,14:13:11:5.3.4,THB:26:27:11:5.3.4|
Show InChI InChI=1S/C25H30N2O/c1-3-25-13-14-27(16-18-9-10-18)23(17(25)2)24(28)21-12-11-20(15-22(21)25)26-19-7-5-4-6-8-19/h4-8,11-12,15,17-18,23,26H,3,9-10,13-14,16H2,1-2H3/t17-,23?,25-/m0/s1
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10n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123989
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccccn4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3,15:16:1:21.19.20|
Show InChI InChI=1S/C23H29N3/c1-16-21-13-18-8-9-19(25-22-5-3-4-11-24-22)14-20(18)23(16,2)10-12-26(21)15-17-6-7-17/h3-5,8-9,11,14,16-17,21H,6-7,10,12-13,15H2,1-2H3,(H,24,25)/t16-,21?,23-/m0/s1
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11n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50085023
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES C[C@H]1C2Cc3ccc(NCCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:24:23:1:18.4.3,17:18:1:23.21.22|
Show InChI InChI=1S/C26H34N2/c1-19-25-16-22-10-11-23(27-14-12-20-6-4-3-5-7-20)17-24(22)26(19,2)13-15-28(25)18-21-8-9-21/h3-7,10-11,17,19,21,25,27H,8-9,12-16,18H2,1-2H3/t19-,25?,26-/m0/s1
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11n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123990
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(cc4)C(F)(F)F)cc3[C@@]1(C)CCN2CC1CC1 |TLB:26:25:1:20.4.3,19:20:1:25.23.24|
Show InChI InChI=1S/C25H29F3N2/c1-16-23-13-18-5-8-21(29-20-9-6-19(7-10-20)25(26,27)28)14-22(18)24(16,2)11-12-30(23)15-17-3-4-17/h5-10,14,16-17,23,29H,3-4,11-13,15H2,1-2H3/t16-,23?,24-/m0/s1
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11n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50092176
PNG
(3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17+,18-/m0/s1
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12n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50085029
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES CNc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:15:14:8:19.5.6,20:19:8:14.12.13|
Show InChI InChI=1S/C19H28N2/c1-13-18-10-15-6-7-16(20-3)11-17(15)19(13,2)8-9-21(18)12-14-4-5-14/h6-7,11,13-14,18,20H,4-5,8-10,12H2,1-3H3/t13-,18?,19-/m0/s1
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13n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123993
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES COc1cccc(Nc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)c1 |TLB:21:20:14:25.11.12,26:25:14:20.18.19|
Show InChI InChI=1S/C25H32N2O/c1-17-24-13-19-9-10-21(26-20-5-4-6-22(14-20)28-3)15-23(19)25(17,2)11-12-27(24)16-18-7-8-18/h4-6,9-10,14-15,17-18,24,26H,7-8,11-13,16H2,1-3H3/t17-,24?,25-/m0/s1
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13n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50123990
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(cc4)C(F)(F)F)cc3[C@@]1(C)CCN2CC1CC1 |TLB:26:25:1:20.4.3,19:20:1:25.23.24|
Show InChI InChI=1S/C25H29F3N2/c1-16-23-13-18-5-8-21(29-20-9-6-19(7-10-20)25(26,27)28)14-22(18)24(16,2)11-12-30(23)15-17-3-4-17/h5-10,14,16-17,23,29H,3-4,11-13,15H2,1-2H3/t16-,23?,24-/m0/s1
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13n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50124009
PNG
(6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,...)
Show SMILES [H][C@@]1(CN2CC[C@@]3(C)[C@@H](C)[C@@]2([H])Cc2ccc(N)cc32)CCCO1 |TLB:2:3:8:19.13.12,THB:18:19:8:3.5.4|
Show InChI InChI=1S/C19H28N2O/c1-13-18-10-14-5-6-15(20)11-17(14)19(13,2)7-8-21(18)12-16-4-3-9-22-16/h5-6,11,13,16,18H,3-4,7-10,12,20H2,1-2H3/t13-,16-,18+,19-/m0/s1
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14n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123999
PNG
((4-tert-Butyl-phenyl)-(3-cyclopropylmethyl-6,11-di...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(cc4)C(C)(C)C)cc3[C@@]1(C)CCN2CC1CC1 |TLB:26:25:1:20.4.3,19:20:1:25.23.24|
Show InChI InChI=1S/C28H38N2/c1-19-26-16-21-8-11-24(29-23-12-9-22(10-13-23)27(2,3)4)17-25(21)28(19,5)14-15-30(26)18-20-6-7-20/h8-13,17,19-20,26,29H,6-7,14-16,18H2,1-5H3/t19-,26?,28-/m0/s1
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14n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50123987
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccncc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3,15:16:1:21.19.20|
Show InChI InChI=1S/C23H29N3/c1-16-22-13-18-5-6-20(25-19-7-10-24-11-8-19)14-21(18)23(16,2)9-12-26(22)15-17-3-4-17/h5-8,10-11,14,16-17,22H,3-4,9,12-13,15H2,1-2H3,(H,24,25)/t16-,22?,23-/m0/s1
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18n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50085022
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N(C)C |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C20H30N2/c1-14-19-11-16-7-8-17(21(3)4)12-18(16)20(14,2)9-10-22(19)13-15-5-6-15/h7-8,12,14-15,19H,5-6,9-11,13H2,1-4H3/t14-,19?,20-/m0/s1
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18n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50124004
PNG
(13-cyclopropylmethyl-1,16-dimethyl-(1S,16R)-5,13-d...)
Show SMILES C[C@H]1C2Cc3cc4cc[nH]c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:11:12:1:17.16.15,18:17:1:4.12.3|
Show InChI InChI=1S/C20H26N2/c1-13-19-10-16-9-15-5-7-21-18(15)11-17(16)20(13,2)6-8-22(19)12-14-3-4-14/h5,7,9,11,13-14,19,21H,3-4,6,8,10,12H2,1-2H3/t13-,19?,20-/m0/s1
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18n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50123999
PNG
((4-tert-Butyl-phenyl)-(3-cyclopropylmethyl-6,11-di...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(cc4)C(C)(C)C)cc3[C@@]1(C)CCN2CC1CC1 |TLB:26:25:1:20.4.3,19:20:1:25.23.24|
Show InChI InChI=1S/C28H38N2/c1-19-26-16-21-8-11-24(29-23-12-9-22(10-13-23)27(2,3)4)17-25(21)28(19,5)14-15-30(26)18-20-6-7-20/h8-13,17,19-20,26,29H,6-7,14-16,18H2,1-5H3/t19-,26?,28-/m0/s1
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18n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50085028
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES CCNc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:16:15:9:20.6.7,21:20:9:15.13.14|
Show InChI InChI=1S/C20H30N2/c1-4-21-17-8-7-16-11-19-14(2)20(3,18(16)12-17)9-10-22(19)13-15-5-6-15/h7-8,12,14-15,19,21H,4-6,9-11,13H2,1-3H3/t14-,19?,20-/m0/s1
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19n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123985
PNG
(3-Cyclopropylmethyl-8-hydroxy-6,11-dimethyl-3,4,5,...)
Show SMILES C[C@H]1C2N(CC3CC3)CC[C@]1(C)c1cc(O)ccc1C2=O |TLB:4:3:19.12.18:1,13:12:1:3.9.8,THB:20:19:1:3.9.8|
Show InChI InChI=1S/C18H23NO2/c1-11-16-17(21)14-6-5-13(20)9-15(14)18(11,2)7-8-19(16)10-12-3-4-12/h5-6,9,11-12,16,20H,3-4,7-8,10H2,1-2H3/t11-,16?,18-/m0/s1
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20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123997
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4cccnc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3,15:16:1:21.19.20|
Show InChI InChI=1S/C23H29N3/c1-16-22-12-18-7-8-19(25-20-4-3-10-24-14-20)13-21(18)23(16,2)9-11-26(22)15-17-5-6-17/h3-4,7-8,10,13-14,16-17,22,25H,5-6,9,11-12,15H2,1-2H3/t16-,22?,23-/m0/s1
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21n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50085026
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-(4-me...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCN(C)CC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C23H35N3/c1-17-22-14-19-6-7-20(25-12-10-24(3)11-13-25)15-21(19)23(17,2)8-9-26(22)16-18-4-5-18/h6-7,15,17-18,22H,4-5,8-14,16H2,1-3H3/t17-,22?,23-/m0/s1
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21n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50123991
PNG
(17-cyclopropylmethyl-1,20-dimethyl-(1S,20R)-5,17-d...)
Show SMILES C[C@H]1C2Cc3cc4c(cc3[C@@]1(C)CCN2CC1CC1)[nH]c1ccccc41 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C24H28N2/c1-15-23-12-17-11-19-18-5-3-4-6-21(18)25-22(19)13-20(17)24(15,2)9-10-26(23)14-16-7-8-16/h3-6,11,13,15-16,23,25H,7-10,12,14H2,1-2H3/t15-,23?,24-/m0/s1
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22n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123996
PNG
((4-Chloro-phenyl)-(3-cyclopropylmethyl-6,11-dimeth...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(Cl)cc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21|
Show InChI InChI=1S/C24H29ClN2/c1-16-23-13-18-5-8-21(26-20-9-6-19(25)7-10-20)14-22(18)24(16,2)11-12-27(23)15-17-3-4-17/h5-10,14,16-17,23,26H,3-4,11-13,15H2,1-2H3/t16-,23?,24-/m0/s1
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26n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50124002
PNG
(8-Amino-3-cyclopropylmethyl-6,11-dimethyl-3,4,5,6-...)
Show SMILES C[C@H]1C2N(CC3CC3)CC[C@]1(C)c1cc(N)ccc1C2=O |TLB:4:3:19.12.18:1,13:12:1:3.9.8,THB:20:19:1:3.9.8|
Show InChI InChI=1S/C18H24N2O/c1-11-16-17(21)14-6-5-13(19)9-15(14)18(11,2)7-8-20(16)10-12-3-4-12/h5-6,9,11-12,16H,3-4,7-8,10,19H2,1-2H3/t11-,16?,18-/m0/s1
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29n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50124008
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(Cl)c(Cl)c4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:24:23:1:18.4.3,17:18:1:23.21.22|
Show InChI InChI=1S/C24H28Cl2N2/c1-15-23-11-17-5-6-18(27-19-7-8-21(25)22(26)13-19)12-20(17)24(15,2)9-10-28(23)14-16-3-4-16/h5-8,12-13,15-16,23,27H,3-4,9-11,14H2,1-2H3/t15-,23?,24-/m0/s1
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29n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50124007
PNG
(CHEMBL2368318 | [6,11-Dimethyl-3-(tetrahydro-furan...)
Show SMILES [H][C@@]1(CN2CC[C@@]3(C)[C@@H](C)[C@@]2([H])Cc2ccc(Nc4ccccc4)cc32)CCCO1 |TLB:2:3:8:25.13.12,THB:24:25:8:3.5.4|
Show InChI InChI=1S/C25H32N2O/c1-18-24-15-19-10-11-21(26-20-7-4-3-5-8-20)16-23(19)25(18,2)12-13-27(24)17-22-9-6-14-28-22/h3-5,7-8,10-11,16,18,22,24,26H,6,9,12-15,17H2,1-2H3/t18-,22-,24+,25-/m0/s1
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35n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123992
PNG
(3-Cyclopropylmethyl-6-ethyl-11-methyl-8-phenylamin...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(Nc3ccccc3)cc21 |TLB:6:5:13.27.15:11,14:13:11:5.3.4,THB:26:27:11:5.3.4|
Show InChI InChI=1S/C25H30N2O/c1-3-25-13-14-27(16-18-9-10-18)23(17(25)2)24(28)21-12-11-20(15-22(21)25)26-19-7-5-4-6-8-19/h4-8,11-12,15,17-18,23,26H,3,9-10,13-14,16H2,1-2H3/t17-,23?,25-/m0/s1
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37n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50085030
PNG
(Benzyl-((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N(C)Cc1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C26H34N2/c1-19-25-15-22-11-12-23(27(3)17-20-7-5-4-6-8-20)16-24(22)26(19,2)13-14-28(25)18-21-9-10-21/h4-8,11-12,16,19,21,25H,9-10,13-15,17-18H2,1-3H3/t19-,25?,26-/m0/s1
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44n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50085022
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N(C)C |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C20H30N2/c1-14-19-11-16-7-8-17(21(3)4)12-18(16)20(14,2)9-10-22(19)13-15-5-6-15/h7-8,12,14-15,19H,5-6,9-11,13H2,1-4H3/t14-,19?,20-/m0/s1
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46n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50085021
PNG
(Benzyl-((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl...)
Show SMILES C[C@H]1C2Cc3ccc(NCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:23:22:1:17.4.3,16:17:1:22.20.21|
Show InChI InChI=1S/C25H32N2/c1-18-24-14-21-10-11-22(26-16-19-6-4-3-5-7-19)15-23(21)25(18,2)12-13-27(24)17-20-8-9-20/h3-7,10-11,15,18,20,24,26H,8-9,12-14,16-17H2,1-2H3/t18-,24?,25-/m0/s1
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54n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50085030
PNG
(Benzyl-((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N(C)Cc1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C26H34N2/c1-19-25-15-22-11-12-23(27(3)17-20-7-5-4-6-8-20)16-24(22)26(19,2)13-14-28(25)18-21-9-10-21/h4-8,11-12,16,19,21,25H,9-10,13-15,17-18H2,1-3H3/t19-,25?,26-/m0/s1
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56n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123999
PNG
((4-tert-Butyl-phenyl)-(3-cyclopropylmethyl-6,11-di...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(cc4)C(C)(C)C)cc3[C@@]1(C)CCN2CC1CC1 |TLB:26:25:1:20.4.3,19:20:1:25.23.24|
Show InChI InChI=1S/C28H38N2/c1-19-26-16-21-8-11-24(29-23-12-9-22(10-13-23)27(2,3)4)17-25(21)28(19,5)14-15-30(26)18-20-6-7-20/h8-13,17,19-20,26,29H,6-7,14-16,18H2,1-5H3/t19-,26?,28-/m0/s1
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61n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50124005
PNG
(CHEMBL440196 | N-(3-Cyclopropylmethyl-6,11-dimethy...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(cc4)N(C)C)cc3[C@@]1(C)CCN2CC1CC1 |TLB:25:24:1:19.4.3,18:19:1:24.22.23|
Show InChI InChI=1S/C26H35N3/c1-18-25-15-20-7-8-22(27-21-9-11-23(12-10-21)28(3)4)16-24(20)26(18,2)13-14-29(25)17-19-5-6-19/h7-12,16,18-19,25,27H,5-6,13-15,17H2,1-4H3/t18-,25?,26-/m0/s1
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70n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50124003
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES COc1ccc(CNc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |TLB:21:20:14:25.11.12,26:25:14:20.18.19|
Show InChI InChI=1S/C26H34N2O/c1-18-25-14-21-8-9-22(27-16-19-6-10-23(29-3)11-7-19)15-24(21)26(18,2)12-13-28(25)17-20-4-5-20/h6-11,15,18,20,25,27H,4-5,12-14,16-17H2,1-3H3/t18-,25?,26-/m0/s1
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71n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000091
PNG
((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|
Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17?,19-/m0/s1
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73n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50124005
PNG
(CHEMBL440196 | N-(3-Cyclopropylmethyl-6,11-dimethy...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(cc4)N(C)C)cc3[C@@]1(C)CCN2CC1CC1 |TLB:25:24:1:19.4.3,18:19:1:24.22.23|
Show InChI InChI=1S/C26H35N3/c1-18-25-15-20-7-8-22(27-21-9-11-23(12-10-21)28(3)4)16-24(20)26(18,2)13-14-29(25)17-19-5-6-19/h7-12,16,18-19,25,27H,5-6,13-15,17H2,1-4H3/t18-,25?,26-/m0/s1
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75n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001040
PNG
(6,11-Dimethyl-3-(3-methyl-butyl)-1,2,3,4,5,6-hexah...)
Show SMILES [H][C@@]12Cc3ccc(O)cc3[C@@](C)(CN1CC1CC1)[C@@H]2C |r,TLB:19:18:12.13:9.3.2|
Show InChI InChI=1S/C17H23NO/c1-11-16-7-13-5-6-14(19)8-15(13)17(11,2)10-18(16)9-12-3-4-12/h5-6,8,11-12,16,19H,3-4,7,9-10H2,1-2H3/t11-,16+,17+/m1/s1
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76n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50085031
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES CC(C)Nc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:17:16:10:21.7.8,22:21:10:16.14.15|
Show InChI InChI=1S/C21H32N2/c1-14(2)22-18-8-7-17-11-20-15(3)21(4,19(17)12-18)9-10-23(20)13-16-5-6-16/h7-8,12,14-16,20,22H,5-6,9-11,13H2,1-4H3/t15-,20?,21-/m0/s1
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78n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50124003
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES COc1ccc(CNc2ccc3CC4[C@H](C)[C@](C)(CCN4CC4CC4)c3c2)cc1 |TLB:21:20:14:25.11.12,26:25:14:20.18.19|
Show InChI InChI=1S/C26H34N2O/c1-18-25-14-21-8-9-22(27-16-19-6-10-23(29-3)11-7-19)15-24(21)26(18,2)12-13-28(25)17-20-4-5-20/h6-11,15,18,20,25,27H,4-5,12-14,16-17H2,1-3H3/t18-,25?,26-/m0/s1
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80n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123994
PNG
(8-Amino-3-cyclopropylmethyl-6-ethyl-11-methyl-3,4,...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(N)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|
Show InChI InChI=1S/C19H26N2O/c1-3-19-8-9-21(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(20)10-16(15)19/h6-7,10,12-13,17H,3-5,8-9,11,20H2,1-2H3/t12-,17?,19-/m0/s1
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81n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50085032
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-piper...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCCCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C23H34N2/c1-17-22-14-19-8-9-20(24-11-4-3-5-12-24)15-21(19)23(17,2)10-13-25(22)16-18-6-7-18/h8-9,15,17-18,22H,3-7,10-14,16H2,1-2H3/t17-,22?,23-/m0/s1
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95n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123998
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES COc1ccccc1Nc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:22:21:15:26.12.13,27:26:15:21.19.20|
Show InChI InChI=1S/C25H32N2O/c1-17-23-14-19-10-11-20(26-22-6-4-5-7-24(22)28-3)15-21(19)25(17,2)12-13-27(23)16-18-8-9-18/h4-7,10-11,15,17-18,23,26H,8-9,12-14,16H2,1-3H3/t17-,23?,25-/m0/s1
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98n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50124001
PNG
((4-Chloro-benzyl)-(3-cyclopropylmethyl-6,11-dimeth...)
Show SMILES C[C@H]1C2Cc3ccc(NCc4ccc(Cl)cc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:24:23:1:18.4.3,17:18:1:23.21.22|
Show InChI InChI=1S/C25H31ClN2/c1-17-24-13-20-7-10-22(27-15-18-5-8-21(26)9-6-18)14-23(20)25(17,2)11-12-28(24)16-19-3-4-19/h5-10,14,17,19,24,27H,3-4,11-13,15-16H2,1-2H3/t17-,24?,25-/m0/s1
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100n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50085024
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17?,18-/m0/s1
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110n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50085023
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES C[C@H]1C2Cc3ccc(NCCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:24:23:1:18.4.3,17:18:1:23.21.22|
Show InChI InChI=1S/C26H34N2/c1-19-25-16-22-10-11-23(27-14-12-20-6-4-3-5-7-20)17-24(22)26(19,2)13-15-28(25)18-21-8-9-21/h3-7,10-11,17,19,21,25,27H,8-9,12-16,18H2,1-2H3/t19-,25?,26-/m0/s1
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160n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123991
PNG
(17-cyclopropylmethyl-1,20-dimethyl-(1S,20R)-5,17-d...)
Show SMILES C[C@H]1C2Cc3cc4c(cc3[C@@]1(C)CCN2CC1CC1)[nH]c1ccccc41 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C24H28N2/c1-15-23-12-17-11-19-18-5-3-4-6-21(18)25-22(19)13-20(17)24(15,2)9-10-26(23)14-16-7-8-16/h3-6,11,13,15-16,23,25H,7-10,12,14H2,1-2H3/t15-,23?,24-/m0/s1
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170n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50124006
PNG
(Benzhydrylidene-(3-cyclopropylmethyl-6,11-dimethyl...)
Show SMILES [#6]-[#6@H]1-[#6]-2-[#6]-c3ccc(cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]-[#6]-1-[#6]-[#6]-1)\[#7]=[#6](\c1ccccc1)-c1ccccc1 |TLB:15:14:1:9.4.3,8:9:1:14.12.13|
Show InChI InChI=1S/C31H34N2/c1-22-29-19-26-15-16-27(20-28(26)31(22,2)17-18-33(29)21-23-13-14-23)32-30(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,15-16,20,22-23,29H,13-14,17-19,21H2,1-2H3/t22-,29?,31-/m0/s1
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170n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123990
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(cc4)C(F)(F)F)cc3[C@@]1(C)CCN2CC1CC1 |TLB:26:25:1:20.4.3,19:20:1:25.23.24|
Show InChI InChI=1S/C25H29F3N2/c1-16-23-13-18-5-8-21(29-20-9-6-19(7-10-20)25(26,27)28)14-22(18)24(16,2)11-12-30(23)15-17-3-4-17/h5-10,14,16-17,23,29H,3-4,11-13,15H2,1-2H3/t16-,23?,24-/m0/s1
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180n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50124006
PNG
(Benzhydrylidene-(3-cyclopropylmethyl-6,11-dimethyl...)
Show SMILES [#6]-[#6@H]1-[#6]-2-[#6]-c3ccc(cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]-[#6]-1-[#6]-[#6]-1)\[#7]=[#6](\c1ccccc1)-c1ccccc1 |TLB:15:14:1:9.4.3,8:9:1:14.12.13|
Show InChI InChI=1S/C31H34N2/c1-22-29-19-26-15-16-27(20-28(26)31(22,2)17-18-33(29)21-23-13-14-23)32-30(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,15-16,20,22-23,29H,13-14,17-19,21H2,1-2H3/t22-,29?,31-/m0/s1
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220n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123987
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccncc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3,15:16:1:21.19.20|
Show InChI InChI=1S/C23H29N3/c1-16-22-13-18-5-6-20(25-19-7-10-24-11-8-19)14-21(18)23(16,2)9-12-26(22)15-17-3-4-17/h5-8,10-11,14,16-17,22H,3-4,9,12-13,15H2,1-2H3,(H,24,25)/t16-,22?,23-/m0/s1
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240n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50085031
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES CC(C)Nc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:17:16:10:21.7.8,22:21:10:16.14.15|
Show InChI InChI=1S/C21H32N2/c1-14(2)22-18-8-7-17-11-20-15(3)21(4,19(17)12-18)9-10-23(20)13-16-5-6-16/h7-8,12,14-16,20,22H,5-6,9-11,13H2,1-4H3/t15-,20?,21-/m0/s1
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240n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50124004
PNG
(13-cyclopropylmethyl-1,16-dimethyl-(1S,16R)-5,13-d...)
Show SMILES C[C@H]1C2Cc3cc4cc[nH]c4cc3[C@@]1(C)CCN2CC1CC1 |r,TLB:11:12:1:17.16.15,18:17:1:4.12.3|
Show InChI InChI=1S/C20H26N2/c1-13-19-10-16-9-15-5-7-21-18(15)11-17(16)20(13,2)6-8-22(19)12-14-3-4-14/h5,7,9,11,13-14,19,21H,3-4,6,8,10,12H2,1-2H3/t13-,19?,20-/m0/s1
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250n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50085026
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-(4-me...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCN(C)CC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C23H35N3/c1-17-22-14-19-6-7-20(25-12-10-24(3)11-13-25)15-21(19)23(17,2)8-9-26(22)16-18-4-5-18/h6-7,15,17-18,22H,4-5,8-14,16H2,1-3H3/t17-,22?,23-/m0/s1
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250n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50085032
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-piper...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCCCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C23H34N2/c1-17-22-14-19-8-9-20(24-11-4-3-5-12-24)15-21(19)23(17,2)10-13-25(22)16-18-6-7-18/h8-9,15,17-18,22H,3-7,10-14,16H2,1-2H3/t17-,22?,23-/m0/s1
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300n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001040
PNG
(6,11-Dimethyl-3-(3-methyl-butyl)-1,2,3,4,5,6-hexah...)
Show SMILES [H][C@@]12Cc3ccc(O)cc3[C@@](C)(CN1CC1CC1)[C@@H]2C |r,TLB:19:18:12.13:9.3.2|
Show InChI InChI=1S/C17H23NO/c1-11-16-7-13-5-6-14(19)8-15(13)17(11,2)10-18(16)9-12-3-4-12/h5-6,8,11-12,16,19H,3-4,7,9-10H2,1-2H3/t11-,16+,17+/m1/s1
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360n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50124006
PNG
(Benzhydrylidene-(3-cyclopropylmethyl-6,11-dimethyl...)
Show SMILES [#6]-[#6@H]1-[#6]-2-[#6]-c3ccc(cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]-[#6]-1-[#6]-[#6]-1)\[#7]=[#6](\c1ccccc1)-c1ccccc1 |TLB:15:14:1:9.4.3,8:9:1:14.12.13|
Show InChI InChI=1S/C31H34N2/c1-22-29-19-26-15-16-27(20-28(26)31(22,2)17-18-33(29)21-23-13-14-23)32-30(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,15-16,20,22-23,29H,13-14,17-19,21H2,1-2H3/t22-,29?,31-/m0/s1
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360n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50124009
PNG
(6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,...)
Show SMILES [H][C@@]1(CN2CC[C@@]3(C)[C@@H](C)[C@@]2([H])Cc2ccc(N)cc32)CCCO1 |TLB:2:3:8:19.13.12,THB:18:19:8:3.5.4|
Show InChI InChI=1S/C19H28N2O/c1-13-18-10-14-5-6-15(20)11-17(14)19(13,2)7-8-21(18)12-16-4-3-9-22-16/h5-6,11,13,16,18H,3-4,7-10,12,20H2,1-2H3/t13-,16-,18+,19-/m0/s1
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370n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50085025
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-pyrro...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C22H32N2/c1-16-21-13-18-7-8-19(23-10-3-4-11-23)14-20(18)22(16,2)9-12-24(21)15-17-5-6-17/h7-8,14,16-17,21H,3-6,9-13,15H2,1-2H3/t16-,21?,22-/m0/s1
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410n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50085031
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES CC(C)Nc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:17:16:10:21.7.8,22:21:10:16.14.15|
Show InChI InChI=1S/C21H32N2/c1-14(2)22-18-8-7-17-11-20-15(3)21(4,19(17)12-18)9-10-23(20)13-16-5-6-16/h7-8,12,14-16,20,22H,5-6,9-11,13H2,1-4H3/t15-,20?,21-/m0/s1
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460n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50085029
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES CNc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:15:14:8:19.5.6,20:19:8:14.12.13|
Show InChI InChI=1S/C19H28N2/c1-13-18-10-15-6-7-16(20-3)11-17(15)19(13,2)8-9-21(18)12-14-4-5-14/h6-7,11,13-14,18,20H,4-5,8-10,12H2,1-3H3/t13-,18?,19-/m0/s1
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470n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50124000
PNG
(3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...)
Show SMILES [H][C@@]12Cc3ccc(N)cc3[C@](C)(CCN1CC1CC1)[C@@H]2C |THB:15:14:19:9.3.2,8:9:19:14.12.13|
Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17+,18-/m1/s1
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506n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50085027
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-morph...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCOCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C22H32N2O/c1-16-21-13-18-5-6-19(23-9-11-25-12-10-23)14-20(18)22(16,2)7-8-24(21)15-17-3-4-17/h5-6,14,16-17,21H,3-4,7-13,15H2,1-2H3/t16-,21?,22-/m0/s1
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560n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50085030
PNG
(Benzyl-((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N(C)Cc1ccccc1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C26H34N2/c1-19-25-15-22-11-12-23(27(3)17-20-7-5-4-6-8-20)16-24(22)26(19,2)13-14-28(25)18-21-9-10-21/h4-8,11-12,16,19,21,25H,9-10,13-15,17-18H2,1-3H3/t19-,25?,26-/m0/s1
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570n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50085027
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-morph...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCOCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C22H32N2O/c1-16-21-13-18-5-6-19(23-9-11-25-12-10-23)14-20(18)22(16,2)7-8-24(21)15-17-3-4-17/h5-6,14,16-17,21H,3-4,7-13,15H2,1-2H3/t16-,21?,22-/m0/s1
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650n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50085025
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-pyrro...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C22H32N2/c1-16-21-13-18-7-8-19(23-10-3-4-11-23)14-20(18)22(16,2)9-12-24(21)15-17-5-6-17/h7-8,14,16-17,21H,3-6,9-13,15H2,1-2H3/t16-,21?,22-/m0/s1
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770n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50124000
PNG
(3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...)
Show SMILES [H][C@@]12Cc3ccc(N)cc3[C@](C)(CCN1CC1CC1)[C@@H]2C |THB:15:14:19:9.3.2,8:9:19:14.12.13|
Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17+,18-/m1/s1
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780n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50085022
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N(C)C |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C20H30N2/c1-14-19-11-16-7-8-17(21(3)4)12-18(16)20(14,2)9-10-22(19)13-15-5-6-15/h7-8,12,14-15,19H,5-6,9-11,13H2,1-4H3/t14-,19?,20-/m0/s1
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810n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50124000
PNG
(3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...)
Show SMILES [H][C@@]12Cc3ccc(N)cc3[C@](C)(CCN1CC1CC1)[C@@H]2C |THB:15:14:19:9.3.2,8:9:19:14.12.13|
Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17+,18-/m1/s1
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920n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001040
PNG
(6,11-Dimethyl-3-(3-methyl-butyl)-1,2,3,4,5,6-hexah...)
Show SMILES [H][C@@]12Cc3ccc(O)cc3[C@@](C)(CN1CC1CC1)[C@@H]2C |r,TLB:19:18:12.13:9.3.2|
Show InChI InChI=1S/C17H23NO/c1-11-16-7-13-5-6-14(19)8-15(13)17(11,2)10-18(16)9-12-3-4-12/h5-6,8,11-12,16,19H,3-4,7,9-10H2,1-2H3/t11-,16+,17+/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000091
PNG
((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|
Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17?,19-/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50085025
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-pyrro...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C22H32N2/c1-16-21-13-18-7-8-19(23-10-3-4-11-23)14-20(18)22(16,2)9-12-24(21)15-17-5-6-17/h7-8,14,16-17,21H,3-6,9-13,15H2,1-2H3/t16-,21?,22-/m0/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50085027
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-morph...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCOCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C22H32N2O/c1-16-21-13-18-5-6-19(23-9-11-25-12-10-23)14-20(18)22(16,2)7-8-24(21)15-17-3-4-17/h5-6,14,16-17,21H,3-4,7-13,15H2,1-2H3/t16-,21?,22-/m0/s1
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2.80E+3n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50085032
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-piper...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCCCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C23H34N2/c1-17-22-14-19-8-9-20(24-11-4-3-5-12-24)15-21(19)23(17,2)10-13-25(22)16-18-6-7-18/h8-9,15,17-18,22H,3-7,10-14,16H2,1-2H3/t17-,22?,23-/m0/s1
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3.60E+3n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50123985
PNG
(3-Cyclopropylmethyl-8-hydroxy-6,11-dimethyl-3,4,5,...)
Show SMILES C[C@H]1C2N(CC3CC3)CC[C@]1(C)c1cc(O)ccc1C2=O |TLB:4:3:19.12.18:1,13:12:1:3.9.8,THB:20:19:1:3.9.8|
Show InChI InChI=1S/C18H23NO2/c1-11-16-17(21)14-6-5-13(20)9-15(14)18(11,2)7-8-19(16)10-12-3-4-12/h5-6,9,11-12,16,20H,3-4,7-8,10H2,1-2H3/t11-,16?,18-/m0/s1
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n/an/an/an/a 21n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Incorporation of [35S]- GTPgammaS into CHO membranes expressing human Opioid receptor mu 1


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50123992
PNG
(3-Cyclopropylmethyl-6-ethyl-11-methyl-8-phenylamin...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(Nc3ccccc3)cc21 |TLB:6:5:13.27.15:11,14:13:11:5.3.4,THB:26:27:11:5.3.4|
Show InChI InChI=1S/C25H30N2O/c1-3-25-13-14-27(16-18-9-10-18)23(17(25)2)24(28)21-12-11-20(15-22(21)25)26-19-7-5-4-6-8-19/h4-8,11-12,15,17-18,23,26H,3,9-10,13-14,16H2,1-2H3/t17-,23?,25-/m0/s1
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n/an/an/an/a 22n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Incorporation of [35S]- GTPgammaS into CHO membranes expressing human Opioid receptor mu 1


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50085020
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES [H][C@]12Cc3ccc(Nc4ccccc4)cc3[C@@](C)(CCN1CC1CC1)[C@H]2C |THB:21:20:25:15.3.2,14:15:25:20.18.19|
Show InChI InChI=1S/C24H30N2/c1-17-23-14-19-10-11-21(25-20-6-4-3-5-7-20)15-22(19)24(17,2)12-13-26(23)16-18-8-9-18/h3-7,10-11,15,17-18,23,25H,8-9,12-14,16H2,1-2H3/t17-,23?,24-/m0/s1
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n/an/an/an/a 3.80n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Incorporation of [35S]GTP-gamma-S, into CHO membranes expressing human Opioid receptor kappa 1


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50001023
PNG
((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1
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n/an/an/an/a 4.5n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Incorporation of [35S]- GTPgammaS into CHO membranes expressing human Opioid receptor mu 1


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50123992
PNG
(3-Cyclopropylmethyl-6-ethyl-11-methyl-8-phenylamin...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(Nc3ccccc3)cc21 |TLB:6:5:13.27.15:11,14:13:11:5.3.4,THB:26:27:11:5.3.4|
Show InChI InChI=1S/C25H30N2O/c1-3-25-13-14-27(16-18-9-10-18)23(17(25)2)24(28)21-12-11-20(15-22(21)25)26-19-7-5-4-6-8-19/h4-8,11-12,15,17-18,23,26H,3,9-10,13-14,16H2,1-2H3/t17-,23?,25-/m0/s1
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n/an/an/an/a 5.90n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Incorporation of [35S]GTP-gamma-S, into CHO membranes expressing human Opioid receptor kappa 1


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50001023
PNG
((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1
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n/an/an/an/a 1.20n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Incorporation of [35S]GTP-gamma-S, into CHO membranes expressing human Opioid receptor kappa 1


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM83436
PNG
(2-(3,4-dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-7-(1...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H30Cl2N2O2/c1-25(21(27)14-16-5-6-17(23)18(24)13-16)19-7-9-22(8-4-12-28-22)15-20(19)26-10-2-3-11-26/h5-6,13,19-20H,2-4,7-12,14-15H2,1H3/t19-,20-,22-/m0/s1
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n/an/an/an/a 18n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Incorporation of [35S]GTP-gamma-S, into CHO membranes expressing human Opioid receptor kappa 1


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50123994
PNG
(8-Amino-3-cyclopropylmethyl-6-ethyl-11-methyl-3,4,...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(N)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|
Show InChI InChI=1S/C19H26N2O/c1-3-19-8-9-21(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(20)10-16(15)19/h6-7,10,12-13,17H,3-5,8-9,11,20H2,1-2H3/t12-,17?,19-/m0/s1
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n/an/an/an/a 62n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Incorporation of [35S]- GTPgammaS into CHO membranes expressing human Opioid receptor mu 1


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50123994
PNG
(8-Amino-3-cyclopropylmethyl-6-ethyl-11-methyl-3,4,...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(N)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|
Show InChI InChI=1S/C19H26N2O/c1-3-19-8-9-21(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(20)10-16(15)19/h6-7,10,12-13,17H,3-5,8-9,11,20H2,1-2H3/t12-,17?,19-/m0/s1
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n/an/an/an/a 62n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Incorporation of [35S]- GTPgammaS into CHO membranes expressing human Opioid receptor mu 1


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000091
PNG
((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|
Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17?,19-/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Incorporation of [35S]GTP-gamma-S, into CHO membranes expressing human Opioid receptor kappa 1


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50124002
PNG
(8-Amino-3-cyclopropylmethyl-6,11-dimethyl-3,4,5,6-...)
Show SMILES C[C@H]1C2N(CC3CC3)CC[C@]1(C)c1cc(N)ccc1C2=O |TLB:4:3:19.12.18:1,13:12:1:3.9.8,THB:20:19:1:3.9.8|
Show InChI InChI=1S/C18H24N2O/c1-11-16-17(21)14-6-5-13(19)9-15(14)18(11,2)7-8-20(16)10-12-3-4-12/h5-6,9,11-12,16H,3-4,7-8,10,19H2,1-2H3/t11-,16?,18-/m0/s1
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n/an/an/an/a 9.70n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Incorporation of [35S]GTP-gamma-S, into CHO membranes expressing human Opioid receptor kappa 1


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50085020
PNG
(((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,...)
Show SMILES [H][C@]12Cc3ccc(Nc4ccccc4)cc3[C@@](C)(CCN1CC1CC1)[C@H]2C |THB:21:20:25:15.3.2,14:15:25:20.18.19|
Show InChI InChI=1S/C24H30N2/c1-17-23-14-19-10-11-21(25-20-6-4-3-5-7-20)15-22(19)24(17,2)12-13-26(23)16-18-8-9-18/h3-7,10-11,15,17-18,23,25H,8-9,12-14,16H2,1-2H3/t17-,23?,24-/m0/s1
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n/an/an/an/a 15n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Incorporation of [35S]- GTPgammaS into CHO membranes expressing human Opioid receptor mu 1


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000091
PNG
((6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|
Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17?,19-/m0/s1
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n/an/an/an/a 5.5n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Incorporation of [35S]- GTPgammaS into CHO membranes expressing human Opioid receptor mu 1


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50124009
PNG
(6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,...)
Show SMILES [H][C@@]1(CN2CC[C@@]3(C)[C@@H](C)[C@@]2([H])Cc2ccc(N)cc32)CCCO1 |TLB:2:3:8:19.13.12,THB:18:19:8:3.5.4|
Show InChI InChI=1S/C19H28N2O/c1-13-18-10-14-5-6-15(20)11-17(14)19(13,2)7-8-21(18)12-16-4-3-9-22-16/h5-6,11,13,16,18H,3-4,7-10,12,20H2,1-2H3/t13-,16-,18+,19-/m0/s1
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n/an/an/an/a 70n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Incorporation of [35S]GTP-gamma-S, into CHO membranes expressing human Opioid receptor kappa 1


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50123997
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4cccnc4)cc3[C@@]1(C)CCN2CC1CC1 |TLB:22:21:1:16.4.3,15:16:1:21.19.20|
Show InChI InChI=1S/C23H29N3/c1-16-22-12-18-7-8-19(25-20-4-3-10-24-14-20)13-21(18)23(16,2)9-11-26(22)15-17-5-6-17/h3-4,7-8,10,13-14,16-17,22,25H,5-6,9,11-12,15H2,1-2H3/t16-,22?,23-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Incorporation of [35S]GTP-gamma-S, into CHO membranes expressing human Opioid receptor kappa 1


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50124002
PNG
(8-Amino-3-cyclopropylmethyl-6,11-dimethyl-3,4,5,6-...)
Show SMILES C[C@H]1C2N(CC3CC3)CC[C@]1(C)c1cc(N)ccc1C2=O |TLB:4:3:19.12.18:1,13:12:1:3.9.8,THB:20:19:1:3.9.8|
Show InChI InChI=1S/C18H24N2O/c1-11-16-17(21)14-6-5-13(19)9-15(14)18(11,2)7-8-20(16)10-12-3-4-12/h5-6,9,11-12,16H,3-4,7-8,10,19H2,1-2H3/t11-,16?,18-/m0/s1
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n/an/an/an/a 180n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Incorporation of [35S]- GTPgammaS into CHO membranes expressing human Opioid receptor mu 1


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50007102
PNG
(6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1 |THB:16:15:1:10.4.3|
Show InChI InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13-,16-,18+,19-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Incorporation of [35S]GTP-gamma-S, into CHO membranes expressing human Opioid receptor kappa 1


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50123985
PNG
(3-Cyclopropylmethyl-8-hydroxy-6,11-dimethyl-3,4,5,...)
Show SMILES C[C@H]1C2N(CC3CC3)CC[C@]1(C)c1cc(O)ccc1C2=O |TLB:4:3:19.12.18:1,13:12:1:3.9.8,THB:20:19:1:3.9.8|
Show InChI InChI=1S/C18H23NO2/c1-11-16-17(21)14-6-5-13(20)9-15(14)18(11,2)7-8-19(16)10-12-3-4-12/h5-6,9,11-12,16,20H,3-4,7-8,10H2,1-2H3/t11-,16?,18-/m0/s1
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n/an/an/an/a 3.30n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Incorporation of [35S]GTP-gamma-S, into CHO membranes expressing human Opioid receptor kappa 1


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50092176
PNG
(3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17+,18-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Incorporation of [35S]GTP-gamma-S, into CHO membranes expressing human Opioid receptor kappa 1


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50123994
PNG
(8-Amino-3-cyclopropylmethyl-6-ethyl-11-methyl-3,4,...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(N)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|
Show InChI InChI=1S/C19H26N2O/c1-3-19-8-9-21(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(20)10-16(15)19/h6-7,10,12-13,17H,3-5,8-9,11,20H2,1-2H3/t12-,17?,19-/m0/s1
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n/an/an/an/a 2.80n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Incorporation of [35S]GTP-gamma-S, into CHO membranes expressing human Opioid receptor kappa 1


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%